@prefix : . @prefix chebi1: . @prefix chebi2: . @prefix chebi: . @prefix chebi3: . @prefix rdf: . @prefix owl: . @prefix oboInOwl: . @prefix chebi4: . @prefix xsd: . @prefix rdfs: . @prefix obo: . obo:chebi.owl rdf:type owl:Ontology ; owl:versionIRI ; rdfs:comment "ChEBI subsumes and replaces the Chemical Ontology first" ; rdfs:comment "ChEBI Release version 174" ; rdfs:comment "Author: ChEBI curation team" ; rdfs:comment "developed by Michael Ashburner & Pankaj Jaiswal." ; oboInOwl:saved-by "chebi" ; oboInOwl:hasOBOFormatVersion "1.2" ; oboInOwl:date "29:03:2019 10:59" ; oboInOwl:default-namespace "chebi_ontology" ; rdfs:comment "For any queries contact chebi-help@ebi.ac.uk" . obo:IAO_0000115 rdf:type owl:AnnotationProperty ; rdfs:label "definition" . obo:IAO_0000231 rdf:type owl:AnnotationProperty . obo:IAO_0100001 rdf:type owl:AnnotationProperty . chebi2:BRAND_NAME rdf:type owl:AnnotationProperty ; rdfs:label "BRAND NAME" ; rdfs:subPropertyOf oboInOwl:SynonymTypeProperty . chebi2:INN rdf:type owl:AnnotationProperty ; rdfs:label "INN" ; rdfs:subPropertyOf oboInOwl:SynonymTypeProperty . chebi2:IUPAC_NAME rdf:type owl:AnnotationProperty ; rdfs:label "IUPAC NAME" ; rdfs:subPropertyOf oboInOwl:SynonymTypeProperty . chebi2:1_STAR rdf:type owl:AnnotationProperty ; rdfs:comment "Preliminary entries" ; rdfs:subPropertyOf oboInOwl:SubsetProperty . chebi2:2_STAR rdf:type owl:AnnotationProperty ; rdfs:comment "Annotated by 3rd party" ; rdfs:subPropertyOf oboInOwl:SubsetProperty . chebi2:3_STAR rdf:type owl:AnnotationProperty ; rdfs:comment "Manually annotated by ChEBI Team" ; rdfs:subPropertyOf oboInOwl:SubsetProperty . chebi:charge rdf:type owl:AnnotationProperty . chebi:formula rdf:type owl:AnnotationProperty . chebi:inchi rdf:type owl:AnnotationProperty . chebi:inchikey rdf:type owl:AnnotationProperty . chebi:mass rdf:type owl:AnnotationProperty . chebi:monoisotopicmass rdf:type owl:AnnotationProperty . chebi:smiles rdf:type owl:AnnotationProperty . oboInOwl:SubsetProperty rdf:type owl:AnnotationProperty ; rdfs:label "subset_property" . oboInOwl:SynonymTypeProperty rdf:type owl:AnnotationProperty ; rdfs:label "synonym_type_property" . oboInOwl:date rdf:type owl:AnnotationProperty . oboInOwl:default-namespace rdf:type owl:AnnotationProperty . oboInOwl:hasAlternativeId rdf:type owl:AnnotationProperty ; rdfs:label "has_alternative_id" . oboInOwl:hasDbXref rdf:type owl:AnnotationProperty ; rdfs:label "database_cross_reference" . oboInOwl:hasOBOFormatVersion rdf:type owl:AnnotationProperty ; rdfs:label "has_obo_format_version" . oboInOwl:hasOBONamespace rdf:type owl:AnnotationProperty ; rdfs:label "has_obo_namespace" . oboInOwl:id rdf:type owl:AnnotationProperty . oboInOwl:inSubset rdf:type owl:AnnotationProperty ; rdfs:label "in_subset" . oboInOwl:is_cyclic rdf:type owl:AnnotationProperty . oboInOwl:is_transitive rdf:type owl:AnnotationProperty . oboInOwl:saved-by rdf:type owl:AnnotationProperty . oboInOwl:shorthand rdf:type owl:AnnotationProperty ; rdfs:label "shorthand" . rdfs:comment rdf:type owl:AnnotationProperty . rdfs:label rdf:type owl:AnnotationProperty . owl:deprecated rdf:type owl:AnnotationProperty . obo:BFO_0000051 rdf:type owl:ObjectProperty ; rdf:type owl:TransitiveProperty ; oboInOwl:hasDbXref "BFO:0000051" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "has_part" ; oboInOwl:is_cyclic false ; oboInOwl:shorthand "has_part" ; rdfs:label "has part" . obo:RO_0000087 rdf:type owl:ObjectProperty ; oboInOwl:hasDbXref "RO:0000087" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "has_role" ; oboInOwl:is_cyclic false ; oboInOwl:is_transitive false ; oboInOwl:shorthand "has_role" ; rdfs:label "has role" . chebi2:has_functional_parent rdf:type owl:ObjectProperty ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "has_functional_parent" ; oboInOwl:is_cyclic false ; oboInOwl:is_transitive false ; rdfs:label "has functional parent" . chebi2:has_parent_hydride rdf:type owl:ObjectProperty ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "has_parent_hydride" ; oboInOwl:is_cyclic false ; oboInOwl:is_transitive false ; rdfs:label "has parent hydride" . chebi2:is_conjugate_acid_of rdf:type owl:ObjectProperty ; owl:inverseOf chebi2:is_conjugate_base_of ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "is_conjugate_acid_of" ; oboInOwl:is_cyclic true ; oboInOwl:is_transitive false ; rdfs:label "is conjugate acid of" . chebi2:is_conjugate_base_of rdf:type owl:ObjectProperty ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "is_conjugate_base_of" ; oboInOwl:is_cyclic true ; oboInOwl:is_transitive false ; rdfs:label "is conjugate base of" . chebi2:is_enantiomer_of rdf:type owl:ObjectProperty ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "is_enantiomer_of" ; oboInOwl:is_cyclic true ; oboInOwl:is_transitive false ; rdfs:label "is enantiomer of" . chebi2:is_substituent_group_from rdf:type owl:ObjectProperty ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "is_substituent_group_from" ; oboInOwl:is_cyclic false ; oboInOwl:is_transitive false ; rdfs:label "is substituent group from" . chebi2:is_tautomer_of rdf:type owl:ObjectProperty ; rdf:type owl:TransitiveProperty ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "is_tautomer_of" ; oboInOwl:is_cyclic true ; rdfs:label "is tautomer of" . obo:CHEBI_1 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18357 ; owl:deprecated true . obo:CHEBI_10 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_133004 ; chebi:charge "0" ; chebi:formula "C36H38N2O6" ; chebi:inchi "InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1" ; chebi:inchikey "XGEAUXVPBXUBKN-NSOVKSMOSA-N" ; chebi:mass "594.698" ; chebi:monoisotopicmass "594.27299" ; chebi:smiles "COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@@H]6N(C)CCc7cc(OC)c(O)c(Oc1cc23)c67)ccc5O)cc4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(+)-Atherospermoline" . obo:CHEBI_100 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_16114 . _:b0 rdf:type owl:Restriction . obo:CHEBI_100 rdfs:subClassOf _:b0 . _:b0 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . _:b1 rdf:type owl:Restriction . obo:CHEBI_100 rdfs:subClassOf _:b1 . _:b1 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_6714 . obo:CHEBI_100 obo:IAO_0000115 "The (-)-enantiomer of medicarpin." ; chebi:charge "0" ; chebi:formula "C16H14O4" ; chebi:inchi "InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1" ; chebi:inchikey "NSRJSISNDPOJOP-BBRMVZONSA-N" ; chebi:mass "270.27996" ; chebi:monoisotopicmass "270.08921" ; chebi:smiles "[H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1cc(OC)ccc21" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(-)-medicarpin" . obo:CHEBI_1000 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16713 ; owl:deprecated true . obo:CHEBI_10000 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46955 ; chebi:charge "0" ; chebi:formula "C25H30O5" ; chebi:inchi "InChI=1S/C25H30O5/c1-15(2)6-5-7-16(3)8-9-30-19-11-17-10-18-13-25(4,29)14-21(27)23(18)24(28)22(17)20(26)12-19/h6,8,10-12,26,28-29H,5,7,9,13-14H2,1-4H3/b16-8+" ; chebi:inchikey "KZPCPZBBGCTGCN-LZYBPNLTSA-N" ; chebi:mass "410.504" ; chebi:monoisotopicmass "410.20932" ; chebi:smiles "CC(C)=CCC\\C(C)=C\\COc1cc(O)c2c(O)c3C(=O)CC(C)(O)Cc3cc2c1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10000" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Vismione D" . obo:CHEBI_100000 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H26N2O3" ; chebi:inchi "InChI=1S/C22H26N2O3/c1-27-15-21(26)24-19(13-23)22(20(24)14-25)18-11-9-17(10-12-18)8-4-7-16-5-2-3-6-16/h9-12,16,19-20,22,25H,2-3,5-7,14-15H2,1H3/t19-,20+,22+/m1/s1" ; chebi:inchikey "FOQJOAXBJHEYGA-URVUXULASA-N" ; chebi:mass "366.454" ; chebi:monoisotopicmass "366.19434" ; chebi:smiles "COCC(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CCC3CCCC3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100000" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100001 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25F3N4O4" ; chebi:inchi "InChI=1S/C22H25F3N4O4/c23-22(24,25)15-3-5-16(6-4-15)28-21(32)27-11-9-17-7-8-18(19(13-30)33-17)29-20(31)14-2-1-10-26-12-14/h1-6,10,12,17-19,30H,7-9,11,13H2,(H,29,31)(H2,27,28,32)/t17-,18+,19+/m1/s1" ; chebi:inchikey "JHFKDWZHMFMOKL-QYZOEREBSA-N" ; chebi:mass "466.454" ; chebi:monoisotopicmass "466.18279" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNC(=O)NC2=CC=C(C=C2)C(F)(F)F)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100001" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_100002 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30ClN3O5S" ; chebi:inchi "InChI=1S/C23H30ClN3O5S/c1-15-12-25-16(2)14-32-21-11-18(26-33(29,30)19-7-5-6-17(24)10-19)8-9-20(21)23(28)27(3)13-22(15)31-4/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16-,22+/m0/s1" ; chebi:inchikey "PSXVKIUCJIMJLV-PONJGIIJSA-N" ; chebi:mass "496.021" ; chebi:monoisotopicmass "495.15947" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100002" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_100003 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H40N4O5" ; chebi:inchi "InChI=1S/C25H40N4O5/c1-7-9-23(30)27-19-10-11-21-20(13-19)24(31)28(5)15-22(33-6)17(3)14-29(18(4)16-34-21)25(32)26-12-8-2/h10-11,13,17-18,22H,7-9,12,14-16H2,1-6H3,(H,26,32)(H,27,30)/t17-,18+,22-/m0/s1" ; chebi:inchikey "RUFIKNIWNRYTLQ-SVMVAKDDSA-N" ; chebi:mass "476.610" ; chebi:monoisotopicmass "476.29987" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)NCCC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100003" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_100004 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H32F2N6O5" ; chebi:inchi "InChI=1S/C29H32F2N6O5/c1-17-14-37(28(39)24-13-32-9-10-33-24)18(2)16-42-25-12-20(6-7-21(25)27(38)36(3)15-26(17)41-4)34-29(40)35-23-11-19(30)5-8-22(23)31/h5-13,17-18,26H,14-16H2,1-4H3,(H2,34,35,40)/t17-,18-,26+/m0/s1" ; chebi:inchikey "ZXQGUZCJBQNBQR-QSAFDGGLSA-N" ; chebi:mass "582.599" ; chebi:monoisotopicmass "582.24022" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=NC=CN=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100004" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100005 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O7S" ; chebi:inchi "InChI=1S/C26H32N2O7S/c1-33-18-6-5-7-20(13-18)36(31,32)27-17-8-9-23-21(12-17)22-14-19(34-24(16-29)26(22)35-23)15-25(30)28-10-3-2-4-11-28/h5-9,12-13,19,22,24,26-27,29H,2-4,10-11,14-16H2,1H3/t19-,22-,24-,26+/m0/s1" ; chebi:inchikey "RXCSFWYPJHKPEM-CLKGCZJISA-N" ; chebi:mass "516.609" ; chebi:monoisotopicmass "516.19302" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100005" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide" . obo:CHEBI_100006 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H23F2N3O6" ; chebi:inchi "InChI=1S/C23H23F2N3O6/c24-14-2-4-16(25)18(8-14)28-23(31)27-17-5-3-15(34-21(17)11-29)9-22(30)26-10-13-1-6-19-20(7-13)33-12-32-19/h1-8,15,17,21,29H,9-12H2,(H,26,30)(H2,27,28,31)/t15-,17-,21+/m1/s1" ; chebi:inchikey "VZUMNNKKGVSTKF-CEQIKUNHSA-N" ; chebi:mass "475.443" ; chebi:monoisotopicmass "475.15549" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)CNC(=O)C[C@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100006" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,3R,6S)-3-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_100007 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H36N4O5S" ; chebi:inchi "InChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-25(27)21-42-30(22)19-35(3)43(40,41)26-12-9-10-24(16-26)17-34/h5-16,22-23,30,38H,18-21H2,1-4H3/t22-,23-,30-/m1/s1" ; chebi:inchikey "DEQYHGFYIZKXEQ-IQLGONJTSA-N" ; chebi:mass "600.730" ; chebi:monoisotopicmass "600.24064" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100007" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11386" . obo:CHEBI_100008 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H16N2O4" ; chebi:inchi "InChI=1S/C19H16N2O4/c20-9-14-18(12-4-2-1-3-5-12)15(10-22)21(14)19(23)13-6-7-16-17(8-13)25-11-24-16/h1-8,14-15,18,22H,10-11H2/t14-,15-,18+/m0/s1" ; chebi:inchikey "NUSFKYNBTAYYBW-RLFYNMQTSA-N" ; chebi:mass "336.342" ; chebi:monoisotopicmass "336.11101" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)C(=O)N3[C@H]([C@@H]([C@@H]3C#N)C4=CC=CC=C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100008" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_100009 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H15FN2O3S" ; chebi:inchi "InChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(22,23)20-15(10-19)17(16(20)11-21)12-4-2-1-3-5-12/h1-9,15-17,21H,11H2/t15-,16+,17-/m0/s1" ; chebi:inchikey "LIAUQGYQVCFFMZ-BBWFWOEESA-N" ; chebi:mass "346.378" ; chebi:monoisotopicmass "346.07874" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@H](N([C@H]2C#N)S(=O)(=O)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100009" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_10001 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23403 ; chebi:charge "0" ; chebi:formula "C21H24O7" ; chebi:inchi "InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18-,19-/m1/s1" ; chebi:inchikey "GVBNSPFBYXGREE-CXWAGAITSA-N" ; chebi:mass "388.412" ; chebi:monoisotopicmass "388.15220" ; chebi:smiles "CC[C@@H](C)C(=O)O[C@@H]1[C@H](OC(C)=O)c2c(OC1(C)C)ccc1ccc(=O)oc21" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10001" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Visnadin" . obo:CHEBI_100010 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-6-27(32)29-23-12-13-24-25(16-23)35-19-21(3)31(15-14-22-10-8-7-9-11-22)17-20(2)26(34-5)18-30(4)28(24)33/h7-13,16,20-21,26H,6,14-15,17-19H2,1-5H3,(H,29,32)/t20-,21-,26+/m0/s1" ; chebi:inchikey "IOFIBAZLXDARLU-ISJBWFOZSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)CCC3=CC=CC=C3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100010" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_100011 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H31FN2O5" ; chebi:inchi "InChI=1S/C23H31FN2O5/c24-17-6-4-16(5-7-17)23(29)26-13-18(27)14-30-15-21-20(26)9-8-19(31-21)12-22(28)25-10-2-1-3-11-25/h4-7,18-21,27H,1-3,8-15H2/t18-,19-,20-,21+/m1/s1" ; chebi:inchikey "HWBWJNULPIZKLY-NCYKPQTJSA-N" ; chebi:mass "434.502" ; chebi:monoisotopicmass "434.22170" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)C4=CC=C(C=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100011" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_100012 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C28H35N5O5" ; chebi:inchi "InChI=1S/C28H35N5O5/c1-33-23-9-8-20(14-26(34)31-15-18-5-3-2-4-6-18)38-25(23)17-37-24-10-7-19(13-21(24)28(33)36)32-27(35)22-16-29-11-12-30-22/h7,10-13,16,18,20,23,25H,2-6,8-9,14-15,17H2,1H3,(H,31,34)(H,32,35)/t20-,23-,25+/m1/s1" ; chebi:inchikey "KUAQBUHJEIVZQC-XRODADMRSA-N" ; chebi:mass "521.609" ; chebi:monoisotopicmass "521.26382" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=NC=CN=C4)CC(=O)NCC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100012" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide" . obo:CHEBI_100013 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20-,22+,24+/m0/s1" ; chebi:inchikey "YBRLGVDHYMUGPQ-HYWXBTQMSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CCNC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@H](O3)CC(=O)N[C@@H](C)C4=CC=CC=C4)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100013" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100014 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O6S" ; chebi:inchi "InChI=1S/C22H32N4O6S/c1-13-10-23-14(2)12-31-19-8-7-17(9-18(19)22(27)26(5)11-20(13)30-6)25-33(28,29)21-15(3)24-32-16(21)4/h7-9,13-14,20,23,25H,10-12H2,1-6H3/t13-,14+,20+/m1/s1" ; chebi:inchikey "LINNEEFEDHMFDS-CKNLXJGOSA-N" ; chebi:mass "480.580" ; chebi:monoisotopicmass "480.20426" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100014" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3,5-dimethyl-4-isoxazolesulfonamide" . obo:CHEBI_100015 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C18H23ClN2O5" ; chebi:inchi "InChI=1S/C18H23ClN2O5/c1-25-11-18(24)21-15-7-6-14(26-16(15)10-22)8-17(23)20-9-12-2-4-13(19)5-3-12/h2-7,14-16,22H,8-11H2,1H3,(H,20,23)(H,21,24)/t14-,15+,16+/m0/s1" ; chebi:inchikey "XHJSWNOOJCOHJI-ARFHVFGLSA-N" ; chebi:mass "382.839" ; chebi:monoisotopicmass "382.12955" ; chebi:smiles "COCC(=O)N[C@@H]1C=C[C@H](O[C@@H]1CO)CC(=O)NCC2=CC=C(C=C2)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100015" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4-chlorophenyl)methyl]-2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(2-methoxy-1-oxoethyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_100016 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C19H29N3O4" ; chebi:inchi "InChI=1S/C19H29N3O4/c1-2-21-19(24)9-16-3-4-17-18(26-16)13-25-12-15(23)11-22(17)10-14-5-7-20-8-6-14/h5-8,15-18,23H,2-4,9-13H2,1H3,(H,21,24)/t15-,16+,17-,18+/m1/s1" ; chebi:inchikey "MKIQWJGRPCGZSV-XDNAFOTISA-N" ; chebi:mass "363.452" ; chebi:monoisotopicmass "363.21581" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2CC3=CC=NC=C3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100016" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(pyridin-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_100017 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H28N4O5" ; chebi:inchi "InChI=1S/C27H28N4O5/c32-16-24-27-22(13-20(35-24)14-25(33)30-15-19-3-1-2-8-29-19)21-12-18(4-5-23(21)36-27)31-26(34)11-17-6-9-28-10-7-17/h1-10,12,20,22,24,27,32H,11,13-16H2,(H,30,33)(H,31,34)/t20-,22+,24+,27-/m0/s1" ; chebi:inchikey "NURZYHIHZDJTSB-YRGRZTQCSA-N" ; chebi:mass "488.536" ; chebi:monoisotopicmass "488.20597" ; chebi:smiles "C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100017" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100018 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H41FN4O4S" ; chebi:inchi "InChI=1S/C33H41FN4O4S/c1-33(2,3)43(41)38-22-26-21-28(32(40)35-12-6-13-37-14-17-42-18-15-37)36-31(30(26)29(38)11-16-39)25-9-4-7-23(19-25)24-8-5-10-27(34)20-24/h4-5,7-10,19-21,29,39H,6,11-18,22H2,1-3H3,(H,35,40)/t29-,43?/m0/s1" ; chebi:inchikey "LANWNDDZUXSLHG-APZRGAJHSA-N" ; chebi:mass "608.769" ; chebi:monoisotopicmass "608.28326" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100018" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100019 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26F3N5O4" ; chebi:inchi "InChI=1S/C20H26F3N5O4/c1-31-12-15-10-28(27-26-15)9-8-16-6-7-17(18(11-29)32-16)25-19(30)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,10,16-18,29H,6-9,11-12H2,1H3,(H2,24,25,30)/t16-,17-,18-/m1/s1" ; chebi:inchikey "ZOURSNKVQGBTHH-KZNAEPCWSA-N" ; chebi:mass "457.448" ; chebi:monoisotopicmass "457.19369" ; chebi:smiles "COCC1=CN(N=N1)CC[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100019" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_10002 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_137443 ; rdfs:subClassOf obo:CHEBI_26188 ; rdfs:subClassOf obo:CHEBI_35618 . _:b2 rdf:type owl:Restriction . obo:CHEBI_10002 rdfs:subClassOf _:b2 . _:b2 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_140378 . _:b3 rdf:type owl:Restriction . obo:CHEBI_10002 rdfs:subClassOf _:b3 . _:b3 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35620 . _:b4 rdf:type owl:Restriction . obo:CHEBI_10002 rdfs:subClassOf _:b4 . _:b4 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35674 . _:b5 rdf:type owl:Restriction . obo:CHEBI_10002 rdfs:subClassOf _:b5 . _:b5 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_38231 . _:b6 rdf:type owl:Restriction . obo:CHEBI_10002 rdfs:subClassOf _:b6 . _:b6 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_67079 . _:b7 rdf:type owl:Restriction . obo:CHEBI_10002 rdfs:subClassOf _:b7 . _:b7 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . obo:CHEBI_10002 obo:IAO_0000115 "A furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga." ; chebi:charge "0" ; chebi:formula "C13H10O4" ; chebi:inchi "InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3" ; chebi:inchikey "NZVQLVGOZRELTG-UHFFFAOYSA-N" ; chebi:mass "230.217" ; chebi:monoisotopicmass "230.05791" ; chebi:smiles "C=12C(=C3C(OC=C3)=CC1OC(C)=CC2=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10002" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "visnagin" . obo:CHEBI_100020 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-16(17-7-3-2-4-8-17)25-23(29)14-19-10-11-20(21(15-27)30-19)26-22(28)13-18-9-5-6-12-24-18/h2-12,16,19-21,27H,13-15H2,1H3,(H,25,29)(H,26,28)/t16-,19+,20-,21-/m0/s1" ; chebi:inchikey "GWEQQAXOIQTOQH-CZGNIMDHSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100020" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100021 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-34-27-11-10-24(17-30(36)35-14-13-20-5-2-3-6-21(20)18-35)41-29(27)19-40-28-12-9-23(16-26(28)31(34)37)33-42(38,39)25-8-4-7-22(32)15-25/h2-9,12,15-16,24,27,29,33H,10-11,13-14,17-19H2,1H3/t24-,27-,29-/m1/s1" ; chebi:inchikey "ZIFILFAABSOBLR-WOEHHYBBSA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100021" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide" . obo:CHEBI_100022 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H27N3O7" ; chebi:inchi "InChI=1S/C28H27N3O7/c32-14-25-27-21(10-19(37-25)11-26(33)30-13-16-2-1-7-29-12-16)20-9-18(4-6-22(20)38-27)31-28(34)17-3-5-23-24(8-17)36-15-35-23/h1-9,12,19,21,25,27,32H,10-11,13-15H2,(H,30,33)(H,31,34)/t19-,21-,25+,27+/m1/s1" ; chebi:inchikey "PHEIPYKARIAFSI-FALQBERWSA-N" ; chebi:mass "517.531" ; chebi:monoisotopicmass "517.18490" ; chebi:smiles "C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CN=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100022" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100023 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-6-27(32)29-23-12-13-24-25(16-23)35-19-21(3)31(15-14-22-10-8-7-9-11-22)17-20(2)26(34-5)18-30(4)28(24)33/h7-13,16,20-21,26H,6,14-15,17-19H2,1-5H3,(H,29,32)/t20-,21+,26-/m0/s1" ; chebi:inchikey "IOFIBAZLXDARLU-UZINWLIJSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)CCC3=CC=CC=C3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100023" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_100024 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H29N3O2" ; chebi:inchi "InChI=1S/C23H29N3O2/c1-16(2)25-23(28)26-20(14-24)22(21(26)15-27)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h10-13,16-17,20-22,27H,3-7,15H2,1-2H3,(H,25,28)/t20-,21+,22+/m1/s1" ; chebi:inchikey "FHQNTJUBGIRGFL-FSSWDIPSSA-N" ; chebi:mass "379.496" ; chebi:monoisotopicmass "379.22598" ; chebi:smiles "CC(C)NC(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CC3CCCCC3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100024" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide" . obo:CHEBI_100025 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H38N4O6S" ; chebi:inchi "InChI=1S/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20+,27-/m0/s1" ; chebi:inchikey "HAVPCKYPPPKWEI-VKIDHGPPSA-N" ; chebi:mass "594.724" ; chebi:monoisotopicmass "594.25121" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100025" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11404" . obo:CHEBI_100026 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-35-20-10-7-18(8-11-20)30-28(34)31-19-9-12-24-22(13-19)23-14-21(36-25(16-32)27(23)37-24)15-26(33)29-17-5-3-2-4-6-17/h7-13,17,21,23,25,27,32H,2-6,14-16H2,1H3,(H,29,33)(H2,30,31,34)/t21-,23-,25-,27+/m1/s1" ; chebi:inchikey "ATPIYVGDEBDNGC-UFUIAINPSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100026" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_100027 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c1-15-9-16(2)11-18(10-15)28-26(32)27-17-5-8-22-20(12-17)25(31)29(3)21-7-6-19(13-24(30)33-4)35-23(21)14-34-22/h5,8-12,19,21,23H,6-7,13-14H2,1-4H3,(H2,27,28,32)/t19-,21+,23-/m1/s1" ; chebi:inchikey "ANPNCKARMDTJMY-UNWVZKJWSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@@H](O4)CC(=O)OC)N(C3=O)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100027" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_100028 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c1-17(18-5-3-2-4-6-18)31-28(34)14-21-13-23-22-12-20(8-10-24(22)39-29(23)27(15-33)38-21)32-30(35)19-7-9-25-26(11-19)37-16-36-25/h2-12,17,21,23,27,29,33H,13-16H2,1H3,(H,31,34)(H,32,35)/t17-,21+,23+,27-,29-/m1/s1" ; chebi:inchikey "PKVMSJKEIKOOIO-VFVMRXBTSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100028" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100029 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c33-24-17-32(29(35)22-7-4-14-30-16-22)26-13-12-25(37-27(26)19-36-18-24)15-28(34)31-23-10-8-21(9-11-23)20-5-2-1-3-6-20/h1-11,14,16,24-27,33H,12-13,15,17-19H2,(H,31,34)/t24-,25+,26+,27-/m0/s1" ; chebi:inchikey "WTHWQCPYZWPYSX-YAOOYPAMSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)C3=CN=CC=C3)O)O[C@H]1CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100029" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_10003 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38012 ; rdfs:subClassOf obo:CHEBI_47779 . _:b8 rdf:type owl:Restriction . obo:CHEBI_10003 rdfs:subClassOf _:b8 . _:b8 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_65028 . _:b9 rdf:type owl:Restriction . obo:CHEBI_10003 rdfs:subClassOf _:b9 . _:b9 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33281 . _:b10 rdf:type owl:Restriction . obo:CHEBI_10003 rdfs:subClassOf _:b10 . _:b10 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33282 . _:b11 rdf:type owl:Restriction . obo:CHEBI_10003 rdfs:subClassOf _:b11 . _:b11 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36047 . obo:CHEBI_10003 obo:IAO_0000115 "An aminoglycoside sulfate salt resulting from the reaction of ribostamycin with sulfuric acid." ; chebi:charge "0" ; chebi:formula "C17H34N4O10.(H2O4S)n" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10003" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "ribostamycin sulfate" . obo:CHEBI_100030 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-16-13-25-17(2)15-33-20-11-10-18(12-19(20)24(28)27(3)14-22(16)32-5)26-34(29,30)23-9-7-6-8-21(23)31-4/h6-12,16-17,22,25-26H,13-15H2,1-5H3/t16-,17+,22-/m1/s1" ; chebi:inchikey "VZMYSNMKMPUTCO-HYFFOGBASA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100030" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_100031 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O5" ; chebi:inchi "InChI=1S/C19H32N2O5/c1-20(2)18(23)9-15-7-8-16-17(26-15)12-25-11-14(22)10-21(16)19(24)13-5-3-4-6-13/h13-17,22H,3-12H2,1-2H3/t14-,15-,16-,17+/m0/s1" ; chebi:inchikey "XUIBJKJBLJUMMA-LUKYLMHMSA-N" ; chebi:mass "368.469" ; chebi:monoisotopicmass "368.23112" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2C(=O)C3CCCC3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100031" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_100032 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C25H23FN2O3" ; chebi:inchi "InChI=1S/C25H23FN2O3/c26-21-3-1-2-18(14-21)5-4-17-6-8-19(9-7-17)24-22(15-27)28(23(24)16-29)25(30)20-10-12-31-13-11-20/h1-3,6-9,14,20,22-24,29H,10-13,16H2/t22-,23+,24-/m1/s1" ; chebi:inchikey "HZJTYSQKFIQHQZ-TZRRMPRUSA-N" ; chebi:mass "418.461" ; chebi:monoisotopicmass "418.16927" ; chebi:smiles "C1COCCC1C(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C#CC4=CC(=CC=C4)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100032" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile" . obo:CHEBI_100033 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c32-17-24-26-22(14-20(35-24)15-25(33)29-9-12-31-10-2-1-3-11-31)21-13-19(6-7-23(21)36-26)30-27(34)18-5-4-8-28-16-18/h4-8,13,16,20,22,24,26,32H,1-3,9-12,14-15,17H2,(H,29,33)(H,30,34)/t20-,22+,24-,26-/m1/s1" ; chebi:inchikey "SWOCEPZEXMNKQZ-FWSIMYTDSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100033" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100034 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H20FNO6S" ; chebi:inchi "InChI=1S/C15H20FNO6S/c1-22-15(19)8-10-6-7-12(13(9-18)23-10)17-24(20,21)14-5-3-2-4-11(14)16/h2-5,10,12-13,17-18H,6-9H2,1H3/t10-,12+,13-/m0/s1" ; chebi:inchikey "OBZPPVVKYJWSJI-UHTWSYAYSA-N" ; chebi:mass "361.387" ; chebi:monoisotopicmass "361.09954" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100034" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester" . obo:CHEBI_100035 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C31H36N2O5" ; chebi:inchi "InChI=1S/C31H36N2O5/c1-21-15-33(22(2)18-34)31(35)27-11-7-6-10-26(27)25-9-5-4-8-24(25)19-36-30(21)17-32(3)16-23-12-13-28-29(14-23)38-20-37-28/h4-14,21-22,30,34H,15-20H2,1-3H3/t21-,22+,30+/m0/s1" ; chebi:inchikey "VTMUWCMJICVSQX-IABYTQIASA-N" ; chebi:mass "516.629" ; chebi:monoisotopicmass "516.26242" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100035" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11414" . obo:CHEBI_100036 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N5O6" ; chebi:inchi "InChI=1S/C25H33N5O6/c1-16-12-30(23(31)15-34-4)17(2)14-36-21-10-18(28-24(32)20-11-26-8-9-27-20)6-7-19(21)25(33)29(3)13-22(16)35-5/h6-11,16-17,22H,12-15H2,1-5H3,(H,28,32)/t16-,17+,22-/m0/s1" ; chebi:inchikey "CTEQLXWVFDYWAW-JKSBSHDWSA-N" ; chebi:mass "499.560" ; chebi:monoisotopicmass "499.24308" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100036" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_100037 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31FN4O4" ; chebi:inchi "InChI=1S/C24H31FN4O4/c1-15-12-26-16(2)14-33-21-11-19(28-24(31)27-18-7-5-6-17(25)10-18)8-9-20(21)23(30)29(3)13-22(15)32-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16-,22-/m1/s1" ; chebi:inchikey "BTAIGOZCFZRKBT-XCGNWRKASA-N" ; chebi:mass "458.527" ; chebi:monoisotopicmass "458.23293" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100037" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100038 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H35N3O4" ; chebi:inchi "InChI=1S/C30H35N3O4/c1-20-17-31-21(2)19-37-27-16-25(14-15-26(27)30(35)33(3)18-28(20)36-4)32-29(34)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-16,20-21,28,31H,17-19H2,1-4H3,(H,32,34)/t20-,21+,28-/m0/s1" ; chebi:inchikey "HAJBOXZNCGYLAF-GTNJKRJXSA-N" ; chebi:mass "501.618" ; chebi:monoisotopicmass "501.26276" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100038" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenylbenzamide" . obo:CHEBI_100039 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-35-23-9-5-8-22(16-23)30-28(34)31-25-15-14-24(36-26(25)18-32)17-27(33)29-21-12-10-20(11-13-21)19-6-3-2-4-7-19/h2-16,24-26,32H,17-18H2,1H3,(H,29,33)(H2,30,31,34)/t24-,25+,26+/m0/s1" ; chebi:inchikey "HIZAXMBYTZOIAT-JIMJEQGWSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100039" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_10004 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_33229 ; owl:deprecated true . obo:CHEBI_100040 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H26F3N3O3" ; chebi:inchi "InChI=1S/C23H26F3N3O3/c1-2-27-21(31)19-16(13-30)18-12-29-17(20(19)28(18)11-10-23(24,25)26)9-8-15(22(29)32)14-6-4-3-5-7-14/h3-9,16,18-20,30H,2,10-13H2,1H3,(H,27,31)/t16-,18-,19+,20+/m1/s1" ; chebi:inchikey "KIAQQOUXENLKMW-LMCOJAPRSA-N" ; chebi:mass "449.467" ; chebi:monoisotopicmass "449.19263" ; chebi:smiles "CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]1N2CCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100040" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11419" . obo:CHEBI_100041 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C25H34N2O5" ; chebi:inchi "InChI=1S/C25H34N2O5/c1-18(13-27(19(2)16-28)25(29)21-8-6-5-7-9-21)24(30-4)15-26(3)14-20-10-11-22-23(12-20)32-17-31-22/h5-12,18-19,24,28H,13-17H2,1-4H3/t18-,19-,24-/m1/s1" ; chebi:inchikey "RDQYWFNTQPCNSM-KHCICDEESA-N" ; chebi:mass "442.549" ; chebi:monoisotopicmass "442.24677" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)C1=CC=CC=C1)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100041" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide" . obo:CHEBI_100042 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H31N5O5S" ; chebi:inchi "InChI=1S/C21H31N5O5S/c1-14-9-22-15(2)12-31-18-8-16(24-32(28,29)20-11-25(3)13-23-20)6-7-17(18)21(27)26(4)10-19(14)30-5/h6-8,11,13-15,19,22,24H,9-10,12H2,1-5H3/t14-,15+,19+/m1/s1" ; chebi:inchikey "QXYUWGLBJNPRKS-VCBZYWHSSA-N" ; chebi:mass "465.568" ; chebi:monoisotopicmass "465.20459" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100042" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_100043 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H23ClN2O6" ; chebi:inchi "InChI=1S/C23H23ClN2O6/c1-26-18-8-7-16(11-21(27)28)32-20(18)12-31-19-9-6-15(10-17(19)23(26)30)25-22(29)13-2-4-14(24)5-3-13/h2-6,9-10,16,18,20H,7-8,11-12H2,1H3,(H,25,29)(H,27,28)/t16-,18-,20-/m0/s1" ; chebi:inchikey "SDVZNQMNQVCLRJ-QRFRQXIXSA-N" ; chebi:mass "458.892" ; chebi:monoisotopicmass "458.12446" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100043" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_100044 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C21H23N3O4" ; chebi:inchi "InChI=1S/C21H23N3O4/c25-14-19-18(24-20(26)11-15-5-4-10-22-13-15)9-8-17(28-19)12-21(27)23-16-6-2-1-3-7-16/h1-10,13,17-19,25H,11-12,14H2,(H,23,27)(H,24,26)/t17-,18-,19+/m0/s1" ; chebi:inchikey "XLYDKAUYLYXOHP-GBESFXJTSA-N" ; chebi:mass "381.426" ; chebi:monoisotopicmass "381.16886" ; chebi:smiles "C1=CC=C(C=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100044" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide" . obo:CHEBI_100045 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H29FN2O7S" ; chebi:inchi "InChI=1S/C20H29FN2O7S/c1-28-9-8-22-20(25)10-15-6-7-17-18(30-15)13-29-12-14(24)11-23(17)31(26,27)19-5-3-2-4-16(19)21/h2-5,14-15,17-18,24H,6-13H2,1H3,(H,22,25)/t14-,15+,17-,18+/m0/s1" ; chebi:inchikey "ZIIKQONHXRNGRF-CIRFHOKZSA-N" ; chebi:mass "460.519" ; chebi:monoisotopicmass "460.16795" ; chebi:smiles "COCCNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2S(=O)(=O)C3=CC=CC=C3F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100045" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_100046 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C28H34N2O5" ; chebi:inchi "InChI=1S/C28H34N2O5/c31-23-16-30(28(33)12-19-6-2-1-3-7-19)25-11-10-24(35-26(25)18-34-17-23)15-27(32)29-22-13-20-8-4-5-9-21(20)14-22/h1-9,22-26,31H,10-18H2,(H,29,32)/t23-,24-,25-,26+/m1/s1" ; chebi:inchikey "JKLIXGQQXOXZKK-POTDNYQPSA-N" ; chebi:mass "478.581" ; chebi:monoisotopicmass "478.24677" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)CC3=CC=CC=C3)O)O[C@H]1CC(=O)NC4CC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100046" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(1-oxo-2-phenylethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_100047 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H23FN4O4" ; chebi:inchi "InChI=1S/C20H23FN4O4/c21-14-3-1-13(2-4-14)20(28)25-17-6-5-16(29-18(17)11-26)9-19(27)23-10-15-7-8-22-12-24-15/h1-4,7-8,12,16-18,26H,5-6,9-11H2,(H,23,27)(H,25,28)/t16-,17-,18+/m1/s1" ; chebi:inchikey "KXCVLZMSFBFHGZ-KURKYZTESA-N" ; chebi:mass "402.420" ; chebi:monoisotopicmass "402.17033" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100047" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide" . obo:CHEBI_100048 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b12 rdf:type owl:Restriction . obo:CHEBI_100048 rdfs:subClassOf _:b12 . _:b12 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_100048 chebi:charge "0" ; chebi:formula "C21H23N3O3" ; chebi:inchi "InChI=1S/C21H23N3O3/c25-12-15-16-11-24-17(6-3-7-18(24)26)20(22-16)19(15)21(27)23-9-8-13-4-1-2-5-14(13)10-23/h1-7,15-16,19-20,22,25H,8-12H2/t15-,16-,19+,20+/m0/s1" ; chebi:inchikey "WCVQZBWBNHVCOB-XAMWDVODSA-N" ; chebi:mass "365.426" ; chebi:monoisotopicmass "365.17394" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)[C@@H]3[C@H]([C@@H]4CN5C(=O)C=CC=C5[C@H]3N4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100048" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11427" . obo:CHEBI_100049 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H39N3O6" ; chebi:inchi "InChI=1S/C30H39N3O6/c1-20-17-33(29(35)23-8-6-5-7-9-23)21(2)19-39-26-16-24(31-28(34)22-12-14-38-15-13-22)10-11-25(26)30(36)32(3)18-27(20)37-4/h5-11,16,20-22,27H,12-15,17-19H2,1-4H3,(H,31,34)/t20-,21-,27+/m0/s1" ; chebi:inchikey "ZEGIYGLHXRHVDM-NOMHHCBYSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.28389" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100049" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_100050 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H25N3O6" ; chebi:inchi "InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18-,20-/m0/s1" ; chebi:inchikey "HJRBVKTVNLVVPO-QRFRQXIXSA-N" ; chebi:mass "439.462" ; chebi:monoisotopicmass "439.17434" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100050" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_100051 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H28FN3O3" ; chebi:inchi "InChI=1S/C27H28FN3O3/c1-16(17-8-4-3-5-9-17)29-26(33)24-20(15-32)23-14-31-22(25(24)30(23)2)13-12-19(27(31)34)18-10-6-7-11-21(18)28/h3-13,16,20,23-25,32H,14-15H2,1-2H3,(H,29,33)/t16-,20-,23-,24+,25+/m1/s1" ; chebi:inchikey "XOPHINQZQCNQKH-XDPKZGBUSA-N" ; chebi:mass "461.529" ; chebi:monoisotopicmass "461.21147" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@@H]2N3C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100051" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11430" . obo:CHEBI_100052 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25N3O5" ; chebi:inchi "InChI=1S/C18H25N3O5/c22-12-16-14(20-18(24)15-3-1-2-6-19-15)5-4-13(26-16)11-17(23)21-7-9-25-10-8-21/h1-3,6,13-14,16,22H,4-5,7-12H2,(H,20,24)/t13-,14+,16+/m1/s1" ; chebi:inchikey "QWCXAENNPFGWBU-YCPHGPKFSA-N" ; chebi:mass "363.409" ; chebi:monoisotopicmass "363.17942" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100052" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_100053 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31N5O5" ; chebi:inchi "InChI=1S/C24H31N5O5/c1-15-12-29(24(32)20-11-25-8-9-26-20)16(2)14-34-21-7-6-18(27-17(3)30)10-19(21)23(31)28(4)13-22(15)33-5/h6-11,15-16,22H,12-14H2,1-5H3,(H,27,30)/t15-,16-,22+/m1/s1" ; chebi:inchikey "PQYPJTAQDSWLTB-MCFFVMPBSA-N" ; chebi:mass "469.534" ; chebi:monoisotopicmass "469.23252" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=NC=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100053" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_100054 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34N2O7S" ; chebi:inchi "InChI=1S/C27H34N2O7S/c1-34-19-8-5-9-21(13-19)37(32,33)29-18-10-11-24-22(12-18)23-14-20(35-25(16-30)27(23)36-24)15-26(31)28-17-6-3-2-4-7-17/h5,8-13,17,20,23,25,27,29-30H,2-4,6-7,14-16H2,1H3,(H,28,31)/t20-,23+,25-,27-/m0/s1" ; chebi:inchikey "MPXYHEQTTLDTMZ-OGMXRKNYSA-N" ; chebi:mass "530.635" ; chebi:monoisotopicmass "530.20867" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100054" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_100055 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H39N5O3S" ; chebi:inchi "InChI=1S/C33H39N5O3S/c1-33(2,3)42(41)38-22-27-20-28(32(40)35-14-17-37-15-4-5-16-37)36-31(30(27)29(38)13-18-39)26-8-6-7-25(19-26)24-11-9-23(21-34)10-12-24/h6-12,19-20,29,39H,4-5,13-18,22H2,1-3H3,(H,35,40)/t29-,42-/m1/s1" ; chebi:inchikey "KRBOYVJOHNAAFC-LIIBOVGXSA-N" ; chebi:mass "585.762" ; chebi:monoisotopicmass "585.27736" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCCN5CCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100055" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100056 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25+,28-,30+/m0/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-OZBGYUHNSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100056" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_100057 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H30N4O5" ; chebi:inchi "InChI=1S/C22H30N4O5/c1-13-10-23-14(2)12-30-19-7-6-16(24-21(27)18-8-15(3)31-25-18)9-17(19)22(28)26(4)11-20(13)29-5/h6-9,13-14,20,23H,10-12H2,1-5H3,(H,24,27)/t13-,14-,20-/m0/s1" ; chebi:inchikey "JSRBXIHVEPNVJQ-YRVVQQKDSA-N" ; chebi:mass "430.498" ; chebi:monoisotopicmass "430.22162" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100057" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_100058 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N3O4" ; chebi:inchi "InChI=1S/C22H32F3N3O4/c1-14(19(32-4)12-27(3)20(30)16-5-6-16)11-28(15(2)13-29)21(31)26-18-9-7-17(8-10-18)22(23,24)25/h7-10,14-16,19,29H,5-6,11-13H2,1-4H3,(H,26,31)/t14-,15-,19-/m1/s1" ; chebi:inchikey "GUZASBNVYSIPQO-SPYBWZPUSA-N" ; chebi:mass "459.503" ; chebi:monoisotopicmass "459.23449" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)C(=O)C2CC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100058" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide" . obo:CHEBI_100059 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31ClN2O6S" ; chebi:inchi "InChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20-,22-,23+/m0/s1" ; chebi:inchikey "JLFHHDVKVXKGLO-BAMDZGJYSA-N" ; chebi:mass "523.043" ; chebi:monoisotopicmass "522.15914" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100059" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_10006 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28911 ; owl:deprecated true . obo:CHEBI_100060 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O5" ; chebi:inchi "InChI=1S/C27H33F3N2O5/c28-27(29,30)12-13-32-16-20(33)17-35-18-25-24(32)11-10-23(37-25)14-26(34)31-15-19-6-8-22(9-7-19)36-21-4-2-1-3-5-21/h1-9,20,23-25,33H,10-18H2,(H,31,34)/t20-,23-,24-,25+/m1/s1" ; chebi:inchikey "HZAABOSBDYXUMN-HVHOJJEHSA-N" ; chebi:mass "522.558" ; chebi:monoisotopicmass "522.23416" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CCC(F)(F)F)O)O[C@H]1CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100060" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_100061 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30ClFN2O5S" ; chebi:inchi "InChI=1S/C23H30ClFN2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17-,22-/m1/s1" ; chebi:inchikey "FWFBMTYWKZBKQZ-DRSNIGMVSA-N" ; chebi:mass "501.013" ; chebi:monoisotopicmass "500.15480" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100061" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_100062 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C31H36N2O6" ; chebi:inchi "InChI=1S/C31H36N2O6/c1-21-17-33(22(2)19-34)30(35)28-12-8-7-11-27(28)26-10-6-5-9-23(26)20-38-29(21)18-32(3)31(36)39-25-15-13-24(37-4)14-16-25/h5-16,21-22,29,34H,17-20H2,1-4H3/t21-,22+,29+/m0/s1" ; chebi:inchikey "FTPUTVYFFNSJIR-DKGMKSHISA-N" ; chebi:mass "532.629" ; chebi:monoisotopicmass "532.25734" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)OC4=CC=C(C=C4)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100062" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11441" . obo:CHEBI_100063 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O4S" ; chebi:inchi "InChI=1S/C25H36N4O4S/c1-6-7-23(30)27-19-8-9-21-20(12-19)25(31)28(4)14-22(32-5)17(2)13-29(18(3)16-33-21)15-24-26-10-11-34-24/h8-12,17-18,22H,6-7,13-16H2,1-5H3,(H,27,30)/t17-,18+,22+/m1/s1" ; chebi:inchikey "LLNFNSHBDLACGS-FGSXEWAUSA-N" ; chebi:mass "488.645" ; chebi:monoisotopicmass "488.24573" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100063" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100064 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C21H21F2N3O4" ; chebi:inchi "InChI=1S/C21H21F2N3O4/c22-14-7-13(8-15(23)9-14)11-25-20(28)10-16-4-5-17(19(12-27)30-16)26-21(29)18-3-1-2-6-24-18/h1-9,16-17,19,27H,10-12H2,(H,25,28)(H,26,29)/t16-,17-,19+/m0/s1" ; chebi:inchikey "UVJMALWFIRFJAR-JENIJYKNSA-N" ; chebi:mass "417.407" ; chebi:monoisotopicmass "417.15001" ; chebi:smiles "C1=CC=NC(=C1)C(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC(=C3)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100064" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide" . obo:CHEBI_100065 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)29-16-18-7-3-1-4-8-18)22-13-20(11-12-24(22)36-27)31-28(34)30-19-9-5-2-6-10-19/h1-13,21,23,25,27,32H,14-17H2,(H,29,33)(H2,30,31,34)/t21-,23-,25+,27+/m0/s1" ; chebi:inchikey "HYQMBLXITOJPAN-JZEPBHRJSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)NCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100065" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide" . obo:CHEBI_100066 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H30N4O4" ; chebi:inchi "InChI=1S/C28H30N4O4/c33-18-22-24-17-32-23(9-8-21(27(32)34)20-6-2-1-3-7-20)26(31(24)16-19-5-4-10-29-15-19)25(22)28(35)30-11-13-36-14-12-30/h1-10,15,22,24-26,33H,11-14,16-18H2/t22-,24-,25+,26+/m0/s1" ; chebi:inchikey "UHLPFNSCOMKACG-ADXHGGABSA-N" ; chebi:mass "486.563" ; chebi:monoisotopicmass "486.22671" ; chebi:smiles "C1COCCN1C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@H]2N3CC6=CN=CC=C6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100066" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11445" . obo:CHEBI_100067 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O7" ; chebi:inchi "InChI=1S/C25H34N4O7/c1-15-11-29(23(30)14-33-5)16(2)13-35-21-8-7-18(26-24(31)20-9-17(3)36-27-20)10-19(21)25(32)28(4)12-22(15)34-6/h7-10,15-16,22H,11-14H2,1-6H3,(H,26,31)/t15-,16+,22+/m0/s1" ; chebi:inchikey "QUVWWXZLNVGVGD-WJONJSRFSA-N" ; chebi:mass "502.561" ; chebi:monoisotopicmass "502.24275" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100067" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_100068 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H37N3O6S" ; chebi:inchi "InChI=1S/C24H37N3O6S/c28-19-16-27(34(30,31)21-7-3-1-4-8-21)22-10-9-20(33-23(22)18-32-17-19)15-24(29)25-11-14-26-12-5-2-6-13-26/h1,3-4,7-8,19-20,22-23,28H,2,5-6,9-18H2,(H,25,29)/t19-,20-,22-,23+/m0/s1" ; chebi:inchikey "BTHNBOLPOQRYCE-BAMDZGJYSA-N" ; chebi:mass "495.634" ; chebi:monoisotopicmass "495.24031" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3S(=O)(=O)C4=CC=CC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100068" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100069 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H24FN3O3" ; chebi:inchi "InChI=1S/C25H24FN3O3/c26-17-8-4-7-16(11-17)18-9-10-21-23-22(24(31)27-12-15-5-2-1-3-6-15)19(14-30)20(28-23)13-29(21)25(18)32/h1-11,19-20,22-23,28,30H,12-14H2,(H,27,31)/t19-,20-,22+,23+/m0/s1" ; chebi:inchikey "VSJWYLDRVGFTPJ-JFJDKTSWSA-N" ; chebi:mass "433.476" ; chebi:monoisotopicmass "433.18017" ; chebi:smiles "C1[C@H]2[C@@H]([C@H]([C@H](N2)C3=CC=C(C(=O)N31)C4=CC(=CC=C4)F)C(=O)NCC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100069" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11448" . obo:CHEBI_10007 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28934 ; owl:deprecated true . obo:CHEBI_100070 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H39N3O4S" ; chebi:inchi "InChI=1S/C32H39N3O4S/c1-32(2,3)40(38)35-21-24-20-26(31(37)34-16-8-5-9-17-34)33-30(29(24)27(35)15-18-36)23-12-10-11-22(19-23)25-13-6-7-14-28(25)39-4/h6-7,10-14,19-20,27,36H,5,8-9,15-18,21H2,1-4H3/t27-,40-/m0/s1" ; chebi:inchikey "FUQOGNZPPRJWQM-PDBZVODSSA-N" ; chebi:mass "561.737" ; chebi:monoisotopicmass "561.26613" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4OC)C(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100070" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone" . obo:CHEBI_100071 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H16FN3O2" ; chebi:inchi "InChI=1S/C18H16FN3O2/c19-13-7-4-8-14(9-13)21-18(24)22-15(10-20)17(16(22)11-23)12-5-2-1-3-6-12/h1-9,15-17,23H,11H2,(H,21,24)/t15-,16-,17+/m1/s1" ; chebi:inchikey "NDKYDEPQZPJKDZ-ZACQAIPSSA-N" ; chebi:mass "325.338" ; chebi:monoisotopicmass "325.12265" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@H](N([C@@H]2C#N)C(=O)NC3=CC(=CC=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100071" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide" . obo:CHEBI_100072 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25F3N4O4" ; chebi:inchi "InChI=1S/C22H25F3N4O4/c23-22(24,25)15-3-5-16(6-4-15)28-21(32)27-11-9-17-7-8-18(19(13-30)33-17)29-20(31)14-2-1-10-26-12-14/h1-6,10,12,17-19,30H,7-9,11,13H2,(H,29,31)(H2,27,28,32)/t17-,18-,19-/m1/s1" ; chebi:inchikey "JHFKDWZHMFMOKL-GUDVDZBRSA-N" ; chebi:mass "466.454" ; chebi:monoisotopicmass "466.18279" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCNC(=O)NC2=CC=C(C=C2)C(F)(F)F)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100072" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_100073 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C32H39N3O5" ; chebi:inchi "InChI=1S/C32H39N3O5/c1-22-18-35(23(2)20-36)31(37)29-12-8-7-11-28(29)27-10-6-5-9-25(27)21-40-30(22)19-34(3)32(38)33-17-24-13-15-26(39-4)16-14-24/h5-16,22-23,30,36H,17-21H2,1-4H3,(H,33,38)/t22-,23+,30+/m1/s1" ; chebi:inchikey "BRMWAKMKOMKLLH-HFZPWKHCSA-N" ; chebi:mass "545.670" ; chebi:monoisotopicmass "545.28897" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100073" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11452" . obo:CHEBI_100074 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H37N5O4" ; chebi:inchi "InChI=1S/C22H37N5O4/c28-16-21-19(23-22(29)15-26-10-12-30-13-11-26)7-6-18(31-21)8-9-27-14-20(24-25-27)17-4-2-1-3-5-17/h14,17-19,21,28H,1-13,15-16H2,(H,23,29)/t18-,19+,21+/m0/s1" ; chebi:inchikey "ASLPZONUTGKWLH-QKNQBKEWSA-N" ; chebi:mass "435.561" ; chebi:monoisotopicmass "435.28455" ; chebi:smiles "C1CCC(CC1)C2=CN(N=N2)CC[C@@H]3CC[C@H]([C@H](O3)CO)NC(=O)CN4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100074" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide" . obo:CHEBI_100075 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H31N3O5S" ; chebi:inchi "InChI=1S/C19H31N3O5S/c1-13-10-21(3)14(2)12-27-17-8-7-15(20-28(6,24)25)9-16(17)19(23)22(4)11-18(13)26-5/h7-9,13-14,18,20H,10-12H2,1-6H3/t13-,14+,18-/m1/s1" ; chebi:inchikey "DDFPKKGQTCCPIA-QWQRMKEZSA-N" ; chebi:mass "413.533" ; chebi:monoisotopicmass "413.19844" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100075" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_100076 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H32N2O7S" ; chebi:inchi "InChI=1S/C29H32N2O7S/c1-36-21-8-5-9-23(15-21)39(34,35)31-20-10-11-26-24(14-20)25-16-22(37-27(18-32)29(25)38-26)17-28(33)30-13-12-19-6-3-2-4-7-19/h2-11,14-15,22,25,27,29,31-32H,12-13,16-18H2,1H3,(H,30,33)/t22-,25-,27+,29+/m0/s1" ; chebi:inchikey "AJAMEWYBAUQISK-RMBZFECLSA-N" ; chebi:mass "552.641" ; chebi:monoisotopicmass "552.19302" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100076" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_100077 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H41N3O5" ; chebi:inchi "InChI=1S/C31H41N3O5/c1-20(2)18-39-31(37)32(5)16-27-21(3)15-34(22(4)17-35)30(36)29-28(24-12-8-7-11-23(24)19-38-27)25-13-9-10-14-26(25)33(29)6/h7-14,20-22,27,35H,15-19H2,1-6H3/t21-,22-,27-/m0/s1" ; chebi:inchikey "QLIZXZIZGKFZES-BERHBOFZSA-N" ; chebi:mass "535.676" ; chebi:monoisotopicmass "535.30462" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OCC(C)C)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100077" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11456" . obo:CHEBI_100078 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23-,24+,30+/m1/s1" ; chebi:inchikey "VTQGPDBOURHJNB-UCTCLUAXSA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100078" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11457" . obo:CHEBI_100079 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-3-40(36,37)31-21-9-12-26-24(15-21)29(35)32(2)25-11-10-23(39-27(25)19-38-26)16-28(34)30-22-13-14-33(18-22)17-20-7-5-4-6-8-20/h4-9,12,15,22-23,25,27,31H,3,10-11,13-14,16-19H2,1-2H3,(H,30,34)/t22-,23-,25+,27-/m0/s1" ; chebi:inchikey "IJWLFSVDDGQQHF-CWWSAELMSA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100079" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_10008 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28940 ; owl:deprecated true . obo:CHEBI_100080 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H23NO8" ; chebi:inchi "InChI=1S/C23H23NO8/c1-28-21(26)9-14-8-16-15-7-13(3-5-17(15)32-22(16)20(10-25)31-14)24-23(27)12-2-4-18-19(6-12)30-11-29-18/h2-7,14,16,20,22,25H,8-11H2,1H3,(H,24,27)/t14-,16+,20+,22-/m1/s1" ; chebi:inchikey "HFIMGBHSBJMCIP-BJKXHWDHSA-N" ; chebi:mass "441.432" ; chebi:monoisotopicmass "441.14237" ; chebi:smiles "COC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100080" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_100081 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C17H19F3N2O5" ; chebi:inchi "InChI=1S/C17H19F3N2O5/c1-26-15(24)8-12-6-7-13(14(9-23)27-12)22-16(25)21-11-4-2-10(3-5-11)17(18,19)20/h2-7,12-14,23H,8-9H2,1H3,(H2,21,22,25)/t12-,13+,14+/m0/s1" ; chebi:inchikey "PYGNPVIZRZQEAZ-BFHYXJOUSA-N" ; chebi:mass "388.339" ; chebi:monoisotopicmass "388.12461" ; chebi:smiles "COC(=O)C[C@@H]1C=C[C@H]([C@H](O1)CO)NC(=O)NC2=CC=C(C=C2)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100081" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester" . obo:CHEBI_100082 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H29F3N4O5" ; chebi:inchi "InChI=1S/C26H29F3N4O5/c1-15-3-5-16(6-4-15)31-25(36)32-17-7-10-21-19(11-17)24(35)33(2)20-9-8-18(38-22(20)13-37-21)12-23(34)30-14-26(27,28)29/h3-7,10-11,18,20,22H,8-9,12-14H2,1-2H3,(H,30,34)(H2,31,32,36)/t18-,20+,22+/m1/s1" ; chebi:inchikey "PPTVZYJXLGYDRY-CBQOVEMMSA-N" ; chebi:mass "534.528" ; chebi:monoisotopicmass "534.20900" ; chebi:smiles "CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@@H](O4)CC(=O)NCC(F)(F)F)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100082" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide" . obo:CHEBI_100083 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H28N2O7S" ; chebi:inchi "InChI=1S/C24H28N2O7S/c27-15-22-24-20(13-17(32-22)14-23(28)26-8-10-31-11-9-26)19-12-16(6-7-21(19)33-24)25-34(29,30)18-4-2-1-3-5-18/h1-7,12,17,20,22,24-25,27H,8-11,13-15H2/t17-,20-,22-,24+/m1/s1" ; chebi:inchikey "CJNJMLGGDUQPOS-QSOCRCLWSA-N" ; chebi:mass "488.555" ; chebi:monoisotopicmass "488.16172" ; chebi:smiles "C1COCCN1C(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100083" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide" . obo:CHEBI_100084 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H36FN3O5" ; chebi:inchi "InChI=1S/C23H36FN3O5/c1-16(21(31-4)14-26(3)22(29)18-9-11-32-12-10-18)13-27(17(2)15-28)23(30)25-20-7-5-19(24)6-8-20/h5-8,16-18,21,28H,9-15H2,1-4H3,(H,25,30)/t16-,17-,21-/m0/s1" ; chebi:inchikey "OIIKGOKDOCINHJ-FIKGOQFSSA-N" ; chebi:mass "453.548" ; chebi:monoisotopicmass "453.26390" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100084" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_100085 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H34F3N3O4" ; chebi:inchi "InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-41-28(20)17-36(3)30(40)35-24-11-8-10-23(15-24)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21-,28-/m1/s1" ; chebi:inchikey "HSJIFMVKIOATEF-UMQWNRPGSA-N" ; chebi:mass "569.616" ; chebi:monoisotopicmass "569.25014" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC=CC(=C4)C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100085" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11464" . obo:CHEBI_100086 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H24N4O6" ; chebi:inchi "InChI=1S/C21H24N4O6/c26-11-19-15(25-20(27)13-1-4-17-18(9-13)30-12-29-17)3-2-14(31-19)5-6-24-21(28)16-10-22-7-8-23-16/h1,4,7-10,14-15,19,26H,2-3,5-6,11-12H2,(H,24,28)(H,25,27)/t14-,15-,19+/m0/s1" ; chebi:inchikey "OAEJMSHQDKFBTQ-YZVOILCLSA-N" ; chebi:mass "428.439" ; chebi:monoisotopicmass "428.16958" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CCNC(=O)C2=NC=CN=C2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100086" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6S)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_100087 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H23NO8" ; chebi:inchi "InChI=1S/C23H23NO8/c1-28-21(26)9-14-8-16-15-7-13(3-5-17(15)32-22(16)20(10-25)31-14)24-23(27)12-2-4-18-19(6-12)30-11-29-18/h2-7,14,16,20,22,25H,8-11H2,1H3,(H,24,27)/t14-,16+,20-,22-/m1/s1" ; chebi:inchikey "HFIMGBHSBJMCIP-SQKDIAQBSA-N" ; chebi:mass "441.432" ; chebi:monoisotopicmass "441.14237" ; chebi:smiles "COC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100087" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_100088 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O4S" ; chebi:inchi "InChI=1S/C25H36N4O4S/c1-6-7-23(30)27-19-8-9-21-20(12-19)25(31)28(4)14-22(32-5)17(2)13-29(18(3)16-33-21)15-24-26-10-11-34-24/h8-12,17-18,22H,6-7,13-16H2,1-5H3,(H,27,30)/t17-,18+,22+/m0/s1" ; chebi:inchikey "LLNFNSHBDLACGS-NJNPRVFISA-N" ; chebi:mass "488.645" ; chebi:monoisotopicmass "488.24573" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100088" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100089 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-3-10-28-25(31)13-18-6-7-20-24(37-18)14-34-21-9-5-17(12-19(21)27(33)30(20)2)29-26(32)16-4-8-22-23(11-16)36-15-35-22/h4-5,8-9,11-12,18,20,24H,3,6-7,10,13-15H2,1-2H3,(H,28,31)(H,29,32)/t18-,20-,24-/m1/s1" ; chebi:inchikey "OHHWUSSTVAUIQP-DRMXPCRNSA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N2C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100089" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_10009 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28384 ; owl:deprecated true . obo:CHEBI_100090 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H29ClF2N2O4" ; chebi:inchi "InChI=1S/C25H29ClF2N2O4/c26-18-3-1-16(2-4-18)11-29-25(32)10-21-6-8-23-24(34-21)15-33-14-20(31)13-30(23)12-17-9-19(27)5-7-22(17)28/h1-5,7,9,20-21,23-24,31H,6,8,10-15H2,(H,29,32)/t20-,21+,23+,24-/m1/s1" ; chebi:inchikey "VYCGBAYEGCCJIH-AWAHEQQVSA-N" ; chebi:mass "494.959" ; chebi:monoisotopicmass "494.17839" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=C(C=CC(=C3)F)F)O)O[C@@H]1CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100090" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100091 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-6-10-28-23(33)29-18-7-8-19-20(12-18)35-15-17(3)31(11-9-24(25,26)27)13-16(2)21(34-5)14-30(4)22(19)32/h7-8,12,16-17,21H,6,9-11,13-15H2,1-5H3,(H2,28,29,33)/t16-,17+,21-/m1/s1" ; chebi:inchikey "VNTQRTFIXZLISU-LLGFUMIMSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CCC(F)(F)F)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100091" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_100092 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-2-11-24-21(27)25-18(12-23)20(19(25)13-26)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-20,26H,2,11,13H2,1H3,(H,24,27)/t18-,19-,20-/m0/s1" ; chebi:inchikey "NYKFFZXKZNVNOG-UFYCRDLUSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CCCNC(=O)N1[C@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100092" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide" . obo:CHEBI_100093 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C28H28N4O4" ; chebi:inchi "InChI=1S/C28H28N4O4/c1-17(34)32-24-15-31-23(9-8-21(27(31)35)19-7-4-11-29-13-19)26(32)25(22(24)16-33)28(36)30-12-10-18-5-2-3-6-20(18)14-30/h2-9,11,13,22,24-26,33H,10,12,14-16H2,1H3/t22-,24-,25+,26+/m0/s1" ; chebi:inchikey "KMPCXPGJDHNPDW-ADXHGGABSA-N" ; chebi:mass "484.547" ; chebi:monoisotopicmass "484.21106" ; chebi:smiles "CC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100093" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11472" . obo:CHEBI_100094 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H36N4O5S" ; chebi:inchi "InChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(27-14-8-9-15-28(27)36(32)4)26-13-7-5-12-25(26)21-42-29(22)19-35(3)43(40,41)30-16-10-6-11-24(30)17-34/h5-16,22-23,29,38H,18-21H2,1-4H3/t22-,23-,29+/m0/s1" ; chebi:inchikey "VOTKEIORIBNPMA-SBZVUBOMSA-N" ; chebi:mass "600.730" ; chebi:monoisotopicmass "600.24064" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C#N)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100094" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11473" . obo:CHEBI_100095 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H36FN3O5" ; chebi:inchi "InChI=1S/C23H36FN3O5/c1-16(21(31-4)14-26(3)22(29)18-9-11-32-12-10-18)13-27(17(2)15-28)23(30)25-20-7-5-19(24)6-8-20/h5-8,16-18,21,28H,9-15H2,1-4H3,(H,25,30)/t16-,17-,21+/m0/s1" ; chebi:inchikey "OIIKGOKDOCINHJ-XGHQBKJUSA-N" ; chebi:mass "453.548" ; chebi:monoisotopicmass "453.26390" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100095" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_100096 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H34ClN3O5S" ; chebi:inchi "InChI=1S/C22H34ClN3O5S/c23-17-5-4-6-19(15-17)32(29,30)25-20-8-7-18(31-21(20)16-27)9-11-24-22(28)10-14-26-12-2-1-3-13-26/h4-6,15,18,20-21,25,27H,1-3,7-14,16H2,(H,24,28)/t18-,20-,21+/m1/s1" ; chebi:inchikey "QYROUQDLUMQXKE-NRSPTQNISA-N" ; chebi:mass "488.042" ; chebi:monoisotopicmass "487.19077" ; chebi:smiles "C1CCN(CC1)CCC(=O)NCC[C@H]2CC[C@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC(=CC=C3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100096" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6R)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_100097 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35FN2O6S" ; chebi:inchi "InChI=1S/C24H35FN2O6S/c25-18-6-9-21(10-7-18)34(30,31)27-14-19(28)15-32-16-23-22(27)11-8-20(33-23)12-24(29)26-13-17-4-2-1-3-5-17/h6-7,9-10,17,19-20,22-23,28H,1-5,8,11-16H2,(H,26,29)/t19-,20-,22-,23+/m1/s1" ; chebi:inchikey "CDWYTZLAFHIRLQ-PRTQVNTJSA-N" ; chebi:mass "498.610" ; chebi:monoisotopicmass "498.21999" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3S(=O)(=O)C4=CC=C(C=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100097" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_100098 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31ClN2O6S" ; chebi:inchi "InChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20-,22-,23+/m1/s1" ; chebi:inchikey "JLFHHDVKVXKGLO-PRTQVNTJSA-N" ; chebi:mass "523.043" ; chebi:monoisotopicmass "522.15914" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100098" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_100099 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H24N4O6" ; chebi:inchi "InChI=1S/C21H24N4O6/c26-11-19-15(25-20(27)13-1-4-17-18(9-13)30-12-29-17)3-2-14(31-19)5-6-24-21(28)16-10-22-7-8-23-16/h1,4,7-10,14-15,19,26H,2-3,5-6,11-12H2,(H,24,28)(H,25,27)/t14-,15+,19-/m1/s1" ; chebi:inchikey "OAEJMSHQDKFBTQ-ZRGWGRIASA-N" ; chebi:mass "428.439" ; chebi:monoisotopicmass "428.16958" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCNC(=O)C2=NC=CN=C2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100099" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6S)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_1001 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17001 ; owl:deprecated true . obo:CHEBI_10010 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28371 ; owl:deprecated true . obo:CHEBI_100100 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H31FN4O4" ; chebi:inchi "InChI=1S/C25H31FN4O4/c1-15(32)30-22-19(20(14-31)23(30)24(33)27-10-5-11-28(2)3)13-29-21(22)9-8-18(25(29)34)16-6-4-7-17(26)12-16/h4,6-9,12,19-20,22-23,31H,5,10-11,13-14H2,1-3H3,(H,27,33)/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "KVNOQKWAHHZEJM-RLBLXZPPSA-N" ; chebi:mass "470.537" ; chebi:monoisotopicmass "470.23293" ; chebi:smiles "CC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC(=CC=C4)F)[C@@H]([C@H]1C(=O)NCCCN(C)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100100" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-acetyl-N-[3-(dimethylamino)propyl]-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100101 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C22H31FN2O4" ; chebi:inchi "InChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18+,20-,21+/m0/s1" ; chebi:inchikey "LTCDBOWOUBSGLM-IZZBFERCSA-N" ; chebi:mass "406.492" ; chebi:monoisotopicmass "406.22679" ; chebi:smiles "C1CC(C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CC4=CC=CC=C4F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100101" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_100102 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H27NO7" ; chebi:inchi "InChI=1S/C21H27NO7/c1-26-19(24)10-14-9-16-15-8-13(22-21(25)12-4-6-27-7-5-12)2-3-17(15)29-20(16)18(11-23)28-14/h2-3,8,12,14,16,18,20,23H,4-7,9-11H2,1H3,(H,22,25)/t14-,16+,18+,20-/m0/s1" ; chebi:inchikey "CYYYAXPAVULRAL-UQWBFEFOSA-N" ; chebi:mass "405.442" ; chebi:monoisotopicmass "405.17875" ; chebi:smiles "COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100102" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_100103 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C19H26N2O6" ; chebi:inchi "InChI=1S/C19H26N2O6/c22-13-8-20-15-3-2-14(27-18(15)10-24-9-13)6-19(23)21-7-12-1-4-16-17(5-12)26-11-25-16/h1,4-5,13-15,18,20,22H,2-3,6-11H2,(H,21,23)/t13-,14+,15-,18+/m1/s1" ; chebi:inchikey "YFRMSEXFMHDWES-FSZRXZPDSA-N" ; chebi:mass "378.420" ; chebi:monoisotopicmass "378.17909" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)NCC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100103" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_100104 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H34FN3O4S" ; chebi:inchi "InChI=1S/C29H34FN3O4S/c1-29(2,3)38(36)33-18-22-17-24(28(35)31-12-14-37-4)32-27(26(22)25(33)11-13-34)21-9-5-7-19(15-21)20-8-6-10-23(30)16-20/h5-10,15-17,25,34H,11-14,18H2,1-4H3,(H,31,35)/t25-,38-/m1/s1" ; chebi:inchikey "RYACMGXBLHGDBX-GWEXNCIJSA-N" ; chebi:mass "539.664" ; chebi:monoisotopicmass "539.22541" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F)C(=O)NCCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100104" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100105 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23+,24-,30-/m0/s1" ; chebi:inchikey "VTQGPDBOURHJNB-PUMORYBASA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100105" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11484" . obo:CHEBI_100106 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H30N2O7" ; chebi:inchi "InChI=1S/C29H30N2O7/c32-17-27-24(31-29(34)20-8-13-25-26(14-20)36-18-35-25)12-11-23(38-27)15-28(33)30-16-19-6-9-22(10-7-19)37-21-4-2-1-3-5-21/h1-10,13-14,23-24,27,32H,11-12,15-18H2,(H,30,33)(H,31,34)/t23-,24+,27+/m1/s1" ; chebi:inchikey "IKYPBPDRSBKALY-DXBVXKBHSA-N" ; chebi:mass "518.559" ; chebi:monoisotopicmass "518.20530" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100106" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100107 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38785 ; chebi:charge "0" ; chebi:formula "C19H31N3O5" ; chebi:inchi "InChI=1S/C19H31N3O5/c23-13-17-16(21-19(25)20-14-4-2-1-3-5-14)7-6-15(27-17)12-18(24)22-8-10-26-11-9-22/h6-7,14-17,23H,1-5,8-13H2,(H2,20,21,25)/t15-,16+,17-/m0/s1" ; chebi:inchikey "RNIDAHWWXILMTD-BBWFWOEESA-N" ; chebi:mass "381.467" ; chebi:monoisotopicmass "381.22637" ; chebi:smiles "C1CCC(CC1)NC(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)N3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100107" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea" . obo:CHEBI_100108 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H34N4O6S" ; chebi:inchi "InChI=1S/C23H34N4O6S/c1-4-34(30,31)24-16-5-8-20-18(13-16)23(29)26(3)19-7-6-17(33-21(19)15-32-20)14-22(28)27-11-9-25(2)10-12-27/h5,8,13,17,19,21,24H,4,6-7,9-12,14-15H2,1-3H3/t17-,19+,21+/m1/s1" ; chebi:inchikey "RRCKKFPVDDPSKT-LMNJBCLMSA-N" ; chebi:mass "494.606" ; chebi:monoisotopicmass "494.21991" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)N4CCN(CC4)C)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100108" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]ethanesulfonamide" . obo:CHEBI_100109 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H28FN3O5" ; chebi:inchi "InChI=1S/C25H28FN3O5/c1-28(2)23(30)13-18-9-10-20-22(34-18)14-33-21-11-8-17(12-19(21)25(32)29(20)3)27-24(31)15-4-6-16(26)7-5-15/h4-8,11-12,18,20,22H,9-10,13-14H2,1-3H3,(H,27,31)/t18-,20-,22-/m1/s1" ; chebi:inchikey "VIDGDBZXEWMIQL-SYYKKAFVSA-N" ; chebi:mass "469.506" ; chebi:monoisotopicmass "469.20130" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)CC(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100109" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide" . obo:CHEBI_10011 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28433 ; owl:deprecated true . obo:CHEBI_100110 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H33N3O4" ; chebi:inchi "InChI=1S/C24H33N3O4/c28-14-18-17-13-26-19(7-4-8-20(26)29)22(17)27(21(30)11-15-9-10-15)23(18)24(31)25-12-16-5-2-1-3-6-16/h4,7-8,15-18,22-23,28H,1-3,5-6,9-14H2,(H,25,31)/t17-,18-,22+,23-/m0/s1" ; chebi:inchikey "ZDTYRDGQWDVLBB-JRSMBCBASA-N" ; chebi:mass "427.537" ; chebi:monoisotopicmass "427.24711" ; chebi:smiles "C1CCC(CC1)CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@@H]3N2C(=O)CC5CC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100110" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-(cyclohexylmethyl)-1-(2-cyclopropyl-1-oxoethyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100111 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O5S" ; chebi:inchi "InChI=1S/C28H34F3N3O5S/c1-18-13-34(19(2)15-35)27(36)26-25(22-11-7-8-12-23(22)33(26)4)21-10-6-5-9-20(21)16-39-24(18)14-32(3)40(37,38)17-28(29,30)31/h5-12,18-19,24,35H,13-17H2,1-4H3/t18-,19-,24-/m0/s1" ; chebi:inchikey "BZAPUCLBFKATKI-JXQFQVJHSA-N" ; chebi:mass "581.649" ; chebi:monoisotopicmass "581.21713" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)CC(F)(F)F)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100111" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11490" . obo:CHEBI_100112 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H29N3O2" ; chebi:inchi "InChI=1S/C23H29N3O2/c1-16(2)25-23(28)26-20(14-24)22(21(26)15-27)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h10-13,16-17,20-22,27H,3-7,15H2,1-2H3,(H,25,28)/t20-,21-,22+/m1/s1" ; chebi:inchikey "FHQNTJUBGIRGFL-VSKRKVRLSA-N" ; chebi:mass "379.496" ; chebi:monoisotopicmass "379.22598" ; chebi:smiles "CC(C)NC(=O)N1[C@@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CC3CCCCC3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100112" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide" . obo:CHEBI_100113 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C27H34N4O5S" ; chebi:inchi "InChI=1S/C27H34N4O5S/c1-19-13-31(20(2)16-32)27(33)24-12-8-7-11-23(24)22-10-6-5-9-21(22)17-36-25(19)14-30(4)37(34,35)26-15-29(3)18-28-26/h5-12,15,18-20,25,32H,13-14,16-17H2,1-4H3/t19-,20-,25-/m1/s1" ; chebi:inchikey "JSYMGQYFJZOBEJ-UMEGOILYSA-N" ; chebi:mass "526.650" ; chebi:monoisotopicmass "526.22499" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100113" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11492" . obo:CHEBI_100114 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_29348 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O4" ; chebi:inchi "InChI=1S/C27H33F3N2O4/c1-18-14-32(19(2)16-33)26(35)23-11-7-6-10-22(23)21-9-5-4-8-20(21)17-36-24(18)15-31(3)25(34)12-13-27(28,29)30/h4-11,18-19,24,33H,12-17H2,1-3H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "VGVIGMMHZQAXDN-XLNZFTOWSA-N" ; chebi:mass "506.558" ; chebi:monoisotopicmass "506.23924" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100114" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11493" . obo:CHEBI_100115 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H44N4O4" ; chebi:inchi "InChI=1S/C33H44N4O4/c1-22-18-37(23(2)20-38)32(39)31-30(27-16-10-11-17-28(27)36(31)4)26-15-9-8-12-24(26)21-41-29(22)19-35(3)33(40)34-25-13-6-5-7-14-25/h8-12,15-17,22-23,25,29,38H,5-7,13-14,18-21H2,1-4H3,(H,34,40)/t22-,23-,29-/m1/s1" ; chebi:inchikey "INXMEFHWZGRULI-VDWGHMIBSA-N" ; chebi:mass "560.728" ; chebi:monoisotopicmass "560.33626" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4CCCCC4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100115" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11494" . obo:CHEBI_100116 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H32FN3O3S" ; chebi:inchi "InChI=1S/C28H32FN3O3S/c1-28(2,3)36(35)32-17-21-16-23(27(34)31(4)5)30-26(25(21)24(32)13-14-33)20-8-6-7-19(15-20)18-9-11-22(29)12-10-18/h6-12,15-16,24,33H,13-14,17H2,1-5H3/t24-,36-/m0/s1" ; chebi:inchikey "AGIZNZOEGDEWTD-TVYQXRCNSA-N" ; chebi:mass "509.638" ; chebi:monoisotopicmass "509.21484" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)F)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100116" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100117 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C18H33N3O4" ; chebi:inchi "InChI=1S/C18H33N3O4/c22-14-11-20-16-5-4-15(25-17(16)13-24-12-14)10-18(23)19-6-9-21-7-2-1-3-8-21/h14-17,20,22H,1-13H2,(H,19,23)/t14-,15-,16+,17-/m0/s1" ; chebi:inchikey "WSFSIZCPNKDEIH-NXOAAHMSSA-N" ; chebi:mass "355.473" ; chebi:monoisotopicmass "355.24711" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100117" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100118 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H29F3N4O3" ; chebi:inchi "InChI=1S/C25H29F3N4O3/c26-25(27,28)8-13-31-20-14-32-19(5-4-17(23(32)34)16-6-9-29-10-7-16)22(31)21(18(20)15-33)24(35)30-11-2-1-3-12-30/h4-7,9-10,18,20-22,33H,1-3,8,11-15H2/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "DKHQAGHBVQSALK-VXSCBNMQSA-N" ; chebi:mass "490.519" ; chebi:monoisotopicmass "490.21918" ; chebi:smiles "C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@H]2N3CCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100118" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11497" . obo:CHEBI_100119 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C30H31N3O3" ; chebi:inchi "InChI=1S/C30H31N3O3/c1-32-26-17-33-25(14-13-20(30(33)36)12-11-19-7-3-2-4-8-19)28(32)27(24(26)18-34)29(35)31-23-15-21-9-5-6-10-22(21)16-23/h2-14,23-24,26-28,34H,15-18H2,1H3,(H,31,35)/t24-,26-,27+,28+/m0/s1" ; chebi:inchikey "LNRZCHBKBRYYMV-GDWZEYGFSA-N" ; chebi:mass "481.587" ; chebi:monoisotopicmass "481.23654" ; chebi:smiles "CN1[C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100119" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11498" . obo:CHEBI_10012 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16954 ; owl:deprecated true . obo:CHEBI_100120 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O5S" ; chebi:inchi "InChI=1S/C28H34F3N3O5S/c1-18-13-34(19(2)15-35)27(36)26-25(22-11-7-8-12-23(22)33(26)4)21-10-6-5-9-20(21)16-39-24(18)14-32(3)40(37,38)17-28(29,30)31/h5-12,18-19,24,35H,13-17H2,1-4H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "BZAPUCLBFKATKI-YDIMBITNSA-N" ; chebi:mass "581.649" ; chebi:monoisotopicmass "581.21713" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100120" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11499" . obo:CHEBI_100121 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37FN4O4" ; chebi:inchi "InChI=1S/C28H37FN4O4/c1-18-14-33(15-20-9-10-20)19(2)17-37-25-13-21(30-28(35)31-24-8-6-5-7-23(24)29)11-12-22(25)27(34)32(3)16-26(18)36-4/h5-8,11-13,18-20,26H,9-10,14-17H2,1-4H3,(H2,30,31,35)/t18-,19+,26+/m1/s1" ; chebi:inchikey "SXLNUQFFJOVPKX-MVYHEMRASA-N" ; chebi:mass "512.617" ; chebi:monoisotopicmass "512.27988" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100121" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9S)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea" . obo:CHEBI_100122 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H38N4O3" ; chebi:inchi "InChI=1S/C32H38N4O3/c1-22-17-36(23(2)20-37)32(38)31-30(27-13-7-8-14-28(27)35(31)4)26-12-6-5-11-25(26)21-39-29(22)19-34(3)18-24-10-9-15-33-16-24/h5-16,22-23,29,37H,17-21H2,1-4H3/t22-,23+,29+/m1/s1" ; chebi:inchikey "RPGWXCDGQSLPTH-AFKLWXAFSA-N" ; chebi:mass "526.670" ; chebi:monoisotopicmass "526.29439" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)CC4=CN=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100122" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11501" . obo:CHEBI_100123 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H27N3O4" ; chebi:inchi "InChI=1S/C20H27N3O4/c1-2-16(25)23-18-13(11-22-15(18)7-6-8-17(22)26)14(12-24)19(23)20(27)21-9-4-3-5-10-21/h6-8,13-14,18-19,24H,2-5,9-12H2,1H3/t13-,14-,18+,19-/m0/s1" ; chebi:inchikey "DUBNWEBJLMWVKU-QAMTZSDWSA-N" ; chebi:mass "373.447" ; chebi:monoisotopicmass "373.20016" ; chebi:smiles "CCC(=O)N1[C@@H]2[C@@H](CN3C2=CC=CC3=O)[C@@H]([C@H]1C(=O)N4CCCCC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100123" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-2-[oxo(1-piperidinyl)methyl]-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_100124 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29(2)24(31)14-19-10-11-21-23(35-19)16-34-22-12-9-18(13-20(22)25(32)30(21)3)28-26(33)27-15-17-7-5-4-6-8-17/h4-9,12-13,19,21,23H,10-11,14-16H2,1-3H3,(H2,27,28,33)/t19-,21+,23-/m1/s1" ; chebi:inchikey "IOGMTQBPALZMTJ-UNWVZKJWSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NCC4=CC=CC=C4)CC(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100124" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide" . obo:CHEBI_100125 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H37N3O5S" ; chebi:inchi "InChI=1S/C31H37N3O5S/c1-31(2,3)40(37)34-20-23-19-25(30(36)33-13-16-39-17-14-33)32-29(28(23)26(34)12-15-35)22-9-7-8-21(18-22)24-10-5-6-11-27(24)38-4/h5-11,18-19,26,35H,12-17,20H2,1-4H3/t26-,40-/m1/s1" ; chebi:inchikey "BNSXJPHXNABYAG-ZCQGCHJCSA-N" ; chebi:mass "563.710" ; chebi:monoisotopicmass "563.24539" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4OC)C(=O)N5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100125" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone" . obo:CHEBI_100126 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-15(16-7-5-4-6-8-16)25-23(28)13-18-12-20-19-11-17(26(2)3)9-10-21(19)30-24(20)22(14-27)29-18/h4-11,15,18,20,22,24,27H,12-14H2,1-3H3,(H,25,28)/t15-,18+,20-,22+,24+/m0/s1" ; chebi:inchikey "LSNSUZUVRXFZLV-HYJVDKBFSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100126" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100127 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35ClN4O5" ; chebi:inchi "InChI=1S/C27H35ClN4O5/c1-6-25(33)32-14-17(2)24(36-5)15-31(4)26(34)22-12-11-21(13-23(22)37-16-18(32)3)30-27(35)29-20-9-7-19(28)8-10-20/h7-13,17-18,24H,6,14-16H2,1-5H3,(H2,29,30,35)/t17-,18+,24+/m1/s1" ; chebi:inchikey "FPIGUEAYUNMTQH-YTZAWJCFSA-N" ; chebi:mass "531.045" ; chebi:monoisotopicmass "530.22960" ; chebi:smiles "CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100127" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-chlorophenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100128 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N6O3" ; chebi:inchi "InChI=1S/C20H30N6O3/c1-25(2)12-16-13-26(24-23-16)9-7-17-5-6-18(19(14-27)29-17)22-20(28)10-15-4-3-8-21-11-15/h3-4,8,11,13,17-19,27H,5-7,9-10,12,14H2,1-2H3,(H,22,28)/t17-,18-,19+/m1/s1" ; chebi:inchikey "NKPFHNDONDWVBL-QRVBRYPASA-N" ; chebi:mass "402.491" ; chebi:monoisotopicmass "402.23794" ; chebi:smiles "CN(C)CC1=CN(N=N1)CC[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100128" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_100129 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H30N2O7" ; chebi:inchi "InChI=1S/C29H30N2O7/c32-17-27-24(31-29(34)20-8-13-25-26(14-20)36-18-35-25)12-11-23(38-27)15-28(33)30-16-19-6-9-22(10-7-19)37-21-4-2-1-3-5-21/h1-10,13-14,23-24,27,32H,11-12,15-18H2,(H,30,33)(H,31,34)/t23-,24-,27-/m0/s1" ; chebi:inchikey "IKYPBPDRSBKALY-DPZBCOQUSA-N" ; chebi:mass "518.559" ; chebi:monoisotopicmass "518.20530" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100129" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_10013 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16631 ; owl:deprecated true . obo:CHEBI_100130 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H25N3O6S" ; chebi:inchi "InChI=1S/C21H25N3O6S/c1-31(27,28)24-13-5-6-18-16(8-13)17-9-15(29-19(12-25)21(17)30-18)10-20(26)23-11-14-4-2-3-7-22-14/h2-8,15,17,19,21,24-25H,9-12H2,1H3,(H,23,26)/t15-,17+,19+,21-/m1/s1" ; chebi:inchikey "JZVGIVMTJSWJDH-ZWVMGRIOSA-N" ; chebi:mass "447.507" ; chebi:monoisotopicmass "447.14641" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100130" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100131 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F5N3O3" ; chebi:inchi "InChI=1S/C25H32F5N3O3/c1-16(23(36-4)14-32(3)13-18-11-20(26)7-10-22(18)27)12-33(17(2)15-34)24(35)31-21-8-5-19(6-9-21)25(28,29)30/h5-11,16-17,23,34H,12-15H2,1-4H3,(H,31,35)/t16-,17+,23+/m1/s1" ; chebi:inchikey "JTIGHJUHEGWKGG-DGGJZMOXSA-N" ; chebi:mass "517.533" ; chebi:monoisotopicmass "517.23638" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100131" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_100132 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15-6-9-17(10-7-15)31(28,29)25-20-11-8-16(30-21(20)14-26)12-13-24-22(27)18-4-2-3-5-19(18)23/h2-7,9-10,16,20-21,25-26H,8,11-14H2,1H3,(H,24,27)/t16-,20+,21-/m1/s1" ; chebi:inchikey "SBFIZHFYYISGJV-TYCQWZJGSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100132" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide" . obo:CHEBI_100133 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C30H35FN2O3" ; chebi:inchi "InChI=1S/C30H35FN2O3/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-36-29(21)18-32(3)17-23-9-8-11-25(31)15-23/h4-15,21-22,29,34H,16-20H2,1-3H3/t21-,22+,29-/m1/s1" ; chebi:inchikey "ZIZYGTWNPVBARE-UETOGOEVSA-N" ; chebi:mass "490.610" ; chebi:monoisotopicmass "490.26317" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100133" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11512" . obo:CHEBI_100134 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21-,23+,25+,27-/m1/s1" ; chebi:inchikey "SNGIXDWGPLKZOT-CBYRCLPRSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100134" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100135 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C23H28N4O3" ; chebi:inchi "InChI=1S/C23H28N4O3/c1-25(2)23(30)20-17(13-28)19-12-27-18(21(20)26(19)11-14-3-4-14)6-5-16(22(27)29)15-7-9-24-10-8-15/h5-10,14,17,19-21,28H,3-4,11-13H2,1-2H3/t17-,19-,20+,21+/m1/s1" ; chebi:inchikey "JAONLNNFEYMMMA-PBASOCQRSA-N" ; chebi:mass "408.494" ; chebi:monoisotopicmass "408.21614" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@@H]1N2CC5CC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100135" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11514" . obo:CHEBI_100136 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34FN3O5" ; chebi:inchi "InChI=1S/C27H34FN3O5/c1-6-25(32)29-21-11-12-22-23(13-21)36-16-18(3)31(26(33)19-7-9-20(28)10-8-19)14-17(2)24(35-5)15-30(4)27(22)34/h7-13,17-18,24H,6,14-16H2,1-5H3,(H,29,32)/t17-,18-,24+/m1/s1" ; chebi:inchikey "DLQPGZNWCDDUSB-GGUMNFRJSA-N" ; chebi:mass "499.575" ; chebi:monoisotopicmass "499.24825" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)C(=O)C3=CC=C(C=C3)F)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100136" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(4-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_100137 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H28FN3O4" ; chebi:inchi "InChI=1S/C26H28FN3O4/c1-28(2)26(34)23-19(14-31)18-13-29-21(12-11-16(24(29)32)15-7-3-4-8-15)22(18)30(23)25(33)17-9-5-6-10-20(17)27/h5-7,9-12,18-19,22-23,31H,3-4,8,13-14H2,1-2H3/t18-,19-,22+,23-/m0/s1" ; chebi:inchikey "QRPMBXIBVHHSCR-LBVMUVSTSA-N" ; chebi:mass "465.518" ; chebi:monoisotopicmass "465.20638" ; chebi:smiles "CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@@H]2N1C(=O)C5=CC=CC=C5F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100137" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-1-[(2-fluorophenyl)-oxomethyl]-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100138 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-16-25(17(2)36-28-16)27-26(33)30-13-20(31)14-34-15-23-22(30)8-7-21(35-23)11-24(32)29-10-9-18-5-3-4-6-19(18)12-29/h3-6,20-23,31H,7-15H2,1-2H3,(H,27,33)/t20-,21+,22-,23+/m1/s1" ; chebi:inchikey "SVQJPVUULHSFBY-ACESQOTJSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N4CCC5=CC=CC=C5C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100138" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100139 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-15(2)29-27(35)31-23-20(21(14-32)24(31)25(33)28-12-16-4-5-16)13-30-22(23)11-10-19(26(30)34)17-6-8-18(36-3)9-7-17/h6-11,15-16,20-21,23-24,32H,4-5,12-14H2,1-3H3,(H,28,33)(H,29,35)/t20-,21-,23+,24-/m1/s1" ; chebi:inchikey "KGEBAFQSPNEEIE-CJTFWIGWSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CC(C)NC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)OC)[C@H]([C@@H]1C(=O)NCC5CC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100139" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N2-(cyclopropylmethyl)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-6-oxo-N1-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide" . obo:CHEBI_10014 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23315 ; chebi:charge "0" ; chebi:formula "C43H52N4O5" ; chebi:inchi "InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24-,28?,31+,35+,37?,40-,43+/m0/s1" ; chebi:inchikey "VCMIRXRRQJNZJT-QGDNWDNJSA-N" ; chebi:mass "704.898" ; chebi:monoisotopicmass "704.39377" ; chebi:smiles "CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5cc([C@H]6C[C@@H]7C([C@@H](Cc8c6[nH]c6ccccc86)N(C)C\\C7=C\\C)C(=O)OC)c(OC)cc45)[C@](C2)([C@H]13)C(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10014" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Voacamine" . obo:CHEBI_100140 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33F3N2O5S" ; chebi:inchi "InChI=1S/C30H33F3N2O5S/c1-20-16-35(21(2)18-36)29(37)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-40-28(20)17-34(3)41(38,39)24-14-12-23(13-15-24)30(31,32)33/h4-15,20-21,28,36H,16-19H2,1-3H3/t20-,21-,28+/m1/s1" ; chebi:inchikey "VUGFGKFGZUURHO-CJYOKPGZSA-N" ; chebi:mass "590.656" ; chebi:monoisotopicmass "590.20623" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100140" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11519" . obo:CHEBI_100141 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H34N2O4" ; chebi:inchi "InChI=1S/C27H34N2O4/c1-18-14-29(19(2)16-30)27(32)24-11-7-6-10-23(24)22-9-5-4-8-21(22)17-33-25(18)15-28(3)26(31)20-12-13-20/h4-11,18-20,25,30H,12-17H2,1-3H3/t18-,19+,25+/m1/s1" ; chebi:inchikey "GOHLAUSVLSRLLT-WYEJZRMESA-N" ; chebi:mass "450.571" ; chebi:monoisotopicmass "450.25186" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4CC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100141" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11520" . obo:CHEBI_100142 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C18H18N2O2" ; chebi:inchi "InChI=1S/C18H18N2O2/c1-22-17-5-3-2-4-14(17)12-6-8-13(9-7-12)18-15(10-19)20-16(18)11-21/h2-9,15-16,18,20-21H,11H2,1H3/t15-,16+,18-/m0/s1" ; chebi:inchikey "BGJLKNVJWQWPQD-JZXOWHBKSA-N" ; chebi:mass "294.348" ; chebi:monoisotopicmass "294.13683" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C(C=C2)[C@@H]3[C@H](N[C@H]3C#N)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100142" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_100143 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H33FN4O5" ; chebi:inchi "InChI=1S/C26H33FN4O5/c1-16-13-31(18(3)32)17(2)15-36-23-12-21(29-26(34)28-20-8-6-7-19(27)11-20)9-10-22(23)25(33)30(4)14-24(16)35-5/h6-12,16-17,24H,13-15H2,1-5H3,(H2,28,29,34)/t16-,17+,24-/m1/s1" ; chebi:inchikey "MGTDWSJKTZULMI-XVTZWQNCSA-N" ; chebi:mass "500.563" ; chebi:monoisotopicmass "500.24350" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100143" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_100144 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H38N4O6S" ; chebi:inchi "InChI=1S/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20+,27+/m0/s1" ; chebi:inchikey "HAVPCKYPPPKWEI-ASHZAFPQSA-N" ; chebi:mass "594.724" ; chebi:monoisotopicmass "594.25121" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100144" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11523" . obo:CHEBI_100145 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-17(2)27(33)30-19-7-12-24-22(13-19)28(34)31(3)23-11-10-21(37-25(23)16-36-24)14-26(32)29-15-18-5-8-20(35-4)9-6-18/h5-9,12-13,17,21,23,25H,10-11,14-16H2,1-4H3,(H,29,32)(H,30,33)/t21-,23-,25+/m0/s1" ; chebi:inchikey "WOMWNJCZYVCUPK-UMXIMWEHSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@H](O3)CC(=O)NCC4=CC=C(C=C4)OC)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100145" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide" . obo:CHEBI_100146 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_7731 ; owl:deprecated true . obo:CHEBI_100147 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25384 ; rdfs:subClassOf obo:CHEBI_73537 ; rdfs:subClassOf obo:CHEBI_86324 . _:b13 rdf:type owl:Restriction . obo:CHEBI_100147 rdfs:subClassOf _:b13 . _:b13 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33281 . _:b14 rdf:type owl:Restriction . obo:CHEBI_100147 rdfs:subClassOf _:b14 . _:b14 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36047 . _:b15 rdf:type owl:Restriction . obo:CHEBI_100147 rdfs:subClassOf _:b15 . _:b15 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_59517 . _:b16 rdf:type owl:Restriction . obo:CHEBI_100147 rdfs:subClassOf _:b16 . _:b16 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_62070 . obo:CHEBI_100147 obo:IAO_0000115 "A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. An orally administered antibacterial, it is used in the treatment of lower urinary-tract infections due to Gram-negative bacteria, including the majority of E. coli, Enterobacter, Klebsiella, and Proteus species." ; chebi:charge "0" ; chebi:formula "C12H12N2O3" ; chebi:inchi "InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)" ; chebi:inchikey "MHWLWQUZZRMNGJ-UHFFFAOYSA-N" ; chebi:mass "232.23530" ; chebi:monoisotopicmass "232.08479" ; chebi:smiles "CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12" ; oboInOwl:hasAlternativeId "CHEBI:7456" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100147" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "nalidixic acid" . obo:CHEBI_100148 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_27093 . _:b17 rdf:type owl:Restriction . obo:CHEBI_100148 rdfs:subClassOf _:b17 . _:b17 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_87985 . obo:CHEBI_100148 obo:IAO_0000115 "A acid that is propane in which three carboxy groups are attached at the C-1 position." ; chebi:charge "0" ; chebi:formula "C6H8O6" ; chebi:inchi "InChI=1S/C6H8O6/c1-2-6(3(7)8,4(9)10)5(11)12/h2H2,1H3,(H,7,8)(H,9,10)(H,11,12)" ; chebi:inchikey "CEGRHPCDLKAHJD-UHFFFAOYSA-N" ; chebi:mass "176.124" ; chebi:monoisotopicmass "176.03209" ; chebi:smiles "CCC(C(=O)O)(C(=O)O)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100148" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "1,1,1-propanetricarboxylic acid" . obo:CHEBI_100149 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H36N4O4S" ; chebi:inchi "InChI=1S/C33H36N4O4S/c1-33(2,3)42(40)37-21-25-19-27(32(39)35-20-22-12-15-34-16-13-22)36-31(30(25)28(37)14-17-38)24-9-7-8-23(18-24)26-10-5-6-11-29(26)41-4/h5-13,15-16,18-19,28,38H,14,17,20-21H2,1-4H3,(H,35,39)/t28-,42-/m0/s1" ; chebi:inchikey "VTKOTAQLGFRVGB-PJVIOAIDSA-N" ; chebi:mass "584.731" ; chebi:monoisotopicmass "584.24573" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4OC)C(=O)NCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100149" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10015 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25248 ; rdfs:subClassOf obo:CHEBI_38163 ; rdfs:subClassOf obo:CHEBI_38958 ; rdfs:subClassOf obo:CHEBI_3992 ; rdfs:subClassOf obo:CHEBI_76224 . _:b18 rdf:type owl:Restriction . obo:CHEBI_10015 rdfs:subClassOf _:b18 . _:b18 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_22587 . _:b19 rdf:type owl:Restriction . obo:CHEBI_10015 rdfs:subClassOf _:b19 . _:b19 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_36372 . obo:CHEBI_10015 obo:IAO_0000115 "An indole alkaloid that is vobasan in which the bridgehead methyl group is substituted by a methoxycarbonyl group and an additional oxo substituent is present in the 3-position." ; chebi:charge "0" ; chebi:formula "C21H24N2O3" ; chebi:inchi "InChI=1S/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14-,17-,19-/m0/s1" ; chebi:inchikey "TYPMTMPLTVSOBU-XJHWFDBESA-N" ; chebi:mass "352.42690" ; chebi:monoisotopicmass "352.17869" ; chebi:smiles "COC(=O)[C@@H]1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1\\C(CN2C)=C/C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10015" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "vobasine" . obo:CHEBI_100150 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-6-27(32)29-23-12-13-24-25(16-23)35-19-21(3)31(15-14-22-10-8-7-9-11-22)17-20(2)26(34-5)18-30(4)28(24)33/h7-13,16,20-21,26H,6,14-15,17-19H2,1-5H3,(H,29,32)/t20-,21-,26+/m1/s1" ; chebi:inchikey "IOFIBAZLXDARLU-YPCDYVTLSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CCC3=CC=CC=C3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100150" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_100151 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27Cl2N3O5" ; chebi:inchi "InChI=1S/C23H27Cl2N3O5/c1-32-20-5-3-2-4-18(20)27-23(31)28-19-9-7-15(33-21(19)13-29)11-22(30)26-12-14-6-8-16(24)17(25)10-14/h2-6,8,10,15,19,21,29H,7,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,19-,21-/m0/s1" ; chebi:inchikey "XCDRDXJNPKYISK-ZRCAFCQKSA-N" ; chebi:mass "496.384" ; chebi:monoisotopicmass "495.13278" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100151" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_100152 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37N3O5" ; chebi:inchi "InChI=1S/C27H37N3O5/c1-18-14-30(15-21-9-7-8-10-24(21)33-5)19(2)17-35-25-12-11-22(28-20(3)31)13-23(25)27(32)29(4)16-26(18)34-6/h7-13,18-19,26H,14-17H2,1-6H3,(H,28,31)/t18-,19-,26+/m1/s1" ; chebi:inchikey "ZMJDYVBEASXUEV-UDCNLSRBSA-N" ; chebi:mass "483.601" ; chebi:monoisotopicmass "483.27332" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100152" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_100153 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClF2N2O4S" ; chebi:inchi "InChI=1S/C23H31ClF2N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17-,23-/m0/s1" ; chebi:inchikey "UIWWHFNWICLZIF-QQMNAOGKSA-N" ; chebi:mass "505.020" ; chebi:monoisotopicmass "504.16611" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100153" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_100154 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33833 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C26H32N4O6" ; chebi:inchi "InChI=1S/C26H32N4O6/c1-15-11-20(29-36-15)25(32)28-17-7-10-22-19(12-17)26(33)30(2)21-9-8-18(35-23(21)14-34-22)13-24(31)27-16-5-3-4-6-16/h7,10-12,16,18,21,23H,3-6,8-9,13-14H2,1-2H3,(H,27,31)(H,28,32)/t18-,21-,23+/m0/s1" ; chebi:inchikey "OWLQYYZEQLHDAT-AVCGJXAMSA-N" ; chebi:mass "496.556" ; chebi:monoisotopicmass "496.23218" ; chebi:smiles "CC1=CC(=NO1)C(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@H](O4)CC(=O)NC5CCCC5)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100154" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-(cyclopentylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_100155 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C25H37N3O6" ; chebi:inchi "InChI=1S/C25H37N3O6/c29-20-16-28(25(31)19-5-2-1-3-6-19)22-8-7-21(34-23(22)18-33-17-20)15-24(30)26-9-4-10-27-11-13-32-14-12-27/h1-3,5-6,20-23,29H,4,7-18H2,(H,26,30)/t20-,21+,22-,23+/m0/s1" ; chebi:inchikey "AMMWEOQELITDAS-GSPCLOLRSA-N" ; chebi:mass "475.579" ; chebi:monoisotopicmass "475.26824" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC=CC=C3)O)O[C@H]1CC(=O)NCCCN4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100155" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-benzoyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100156 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H26N6O4" ; chebi:inchi "InChI=1S/C22H26N6O4/c1-31-20-5-3-2-4-16(20)19-13-28(27-26-19)11-8-15-6-7-17(21(14-29)32-15)25-22(30)18-12-23-9-10-24-18/h2-5,9-10,12-13,15,17,21,29H,6-8,11,14H2,1H3,(H,25,30)/t15-,17-,21+/m1/s1" ; chebi:inchikey "WCJFLIIYNCSVNP-CEQIKUNHSA-N" ; chebi:mass "438.480" ; chebi:monoisotopicmass "438.20155" ; chebi:smiles "COC1=CC=CC=C1C2=CN(N=N2)CC[C@H]3CC[C@H]([C@@H](O3)CO)NC(=O)C4=NC=CN=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100156" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyrazinecarboxamide" . obo:CHEBI_100157 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H32FN3O5" ; chebi:inchi "InChI=1S/C23H32FN3O5/c1-25-8-10-26(11-9-25)22(29)12-17-6-7-20-21(32-17)15-31-14-16(28)13-27(20)23(30)18-4-2-3-5-19(18)24/h2-5,16-17,20-21,28H,6-15H2,1H3/t16-,17+,20+,21-/m0/s1" ; chebi:inchikey "JLPSQBARJGYMKN-NLEAXPPASA-N" ; chebi:mass "449.517" ; chebi:monoisotopicmass "449.23260" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)C4=CC=CC=C4F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100157" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_100158 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H32F3N3O3" ; chebi:inchi "InChI=1S/C24H32F3N3O3/c1-16(23(33-4)14-29(3)13-18-11-20(26)7-10-22(18)27)12-30(17(2)15-31)24(32)28-21-8-5-19(25)6-9-21/h5-11,16-17,23,31H,12-15H2,1-4H3,(H,28,32)/t16-,17-,23+/m0/s1" ; chebi:inchikey "FEKMHVLVYAIVTJ-HKARXFIJSA-N" ; chebi:mass "467.525" ; chebi:monoisotopicmass "467.23958" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100158" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100159 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H30F2N2O6" ; chebi:inchi "InChI=1S/C27H30F2N2O6/c28-17-1-3-22(29)16(9-17)13-30-25(33)12-19-11-21-20-10-18(31-27(34)15-5-7-35-8-6-15)2-4-23(20)37-26(21)24(14-32)36-19/h1-4,9-10,15,19,21,24,26,32H,5-8,11-14H2,(H,30,33)(H,31,34)/t19-,21+,24+,26-/m1/s1" ; chebi:inchikey "UVPONYOZSFJNDG-ZHRNDHIYSA-N" ; chebi:mass "516.535" ; chebi:monoisotopicmass "516.20719" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100159" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_10016 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25248 ; rdfs:subClassOf obo:CHEBI_27288 ; rdfs:subClassOf obo:CHEBI_33599 ; rdfs:subClassOf obo:CHEBI_38481 ; rdfs:subClassOf obo:CHEBI_38482 ; rdfs:subClassOf obo:CHEBI_73080 ; chebi:charge "0" ; chebi:formula "C43H50N4O6" ; chebi:inchi "InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3/t25-,31+,35+,36+,37+,38+,39-,40+,41+,42-,43-/m1/s1" ; chebi:inchikey "IIMPGJMHQMBXKL-OPDPKHDKSA-N" ; chebi:mass "718.88046" ; chebi:monoisotopicmass "718.37304" ; chebi:smiles "[H][C@@]12C[C@]3(CN4CC[C@@]56C(Nc7ccccc57)=C(C[C@@]5(CCO[C@@]35[H])[C@]46[H])C(=O)OC)CN3c4c(OC)cccc4[C@@]4(CCN5CC[C@]6([H])OCC[C@]6(C1)[C@@]45[H])[C@]23O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10016" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "vobtusine" . obo:CHEBI_100160 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H32N6O3" ; chebi:inchi "InChI=1S/C25H32N6O3/c1-28-6-8-29(9-7-28)25(34)23-20(14-32)19-13-30-21(22(19)31(23)12-16-2-3-16)5-4-18(24(30)33)17-10-26-15-27-11-17/h4-5,10-11,15-16,19-20,22-23,32H,2-3,6-9,12-14H2,1H3/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "NKEKVCULWNFMKR-RLBLXZPPSA-N" ; chebi:mass "464.561" ; chebi:monoisotopicmass "464.25359" ; chebi:smiles "CN1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CN=CN=C5)[C@@H]3N2CC6CC6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100160" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-2-[(4-methyl-1-piperazinyl)-oxomethyl]-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_100161 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H31N3O7S" ; chebi:inchi "InChI=1S/C21H31N3O7S/c1-4-32(27,28)23-14-5-8-18-16(11-14)21(26)24(2)17-7-6-15(31-19(17)13-30-18)12-20(25)22-9-10-29-3/h5,8,11,15,17,19,23H,4,6-7,9-10,12-13H2,1-3H3,(H,22,25)/t15-,17-,19-/m0/s1" ; chebi:inchikey "RVSYYJUWHXUHRD-IEZWGBDMSA-N" ; chebi:mass "469.554" ; chebi:monoisotopicmass "469.18827" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@H](O3)CC(=O)NCCOC)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100161" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_100162 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37N3O5" ; chebi:inchi "InChI=1S/C27H37N3O5/c1-18-14-30(15-21-9-7-8-10-24(21)33-5)19(2)17-35-25-12-11-22(28-20(3)31)13-23(25)27(32)29(4)16-26(18)34-6/h7-13,18-19,26H,14-17H2,1-6H3,(H,28,31)/t18-,19-,26-/m0/s1" ; chebi:inchikey "ZMJDYVBEASXUEV-DGUDUIIESA-N" ; chebi:mass "483.601" ; chebi:monoisotopicmass "483.27332" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100162" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_100163 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-17(27-23(29)18-7-5-6-8-20(18)25)11-19(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16+,22-/m0/s1" ; chebi:inchikey "ULFQVHHILZHREN-DMPWYTOCSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100163" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100164 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H20N2O3S" ; chebi:inchi "InChI=1S/C17H20N2O3S/c1-3-4-5-6-13-7-9-14(10-8-13)17-15(11-18)19(16(17)12-20)23(2,21)22/h7-10,15-17,20H,3-4,12H2,1-2H3/t15-,16-,17-/m0/s1" ; chebi:inchikey "COUPNDMEVDHIHS-ULQDDVLXSA-N" ; chebi:mass "332.419" ; chebi:monoisotopicmass "332.11946" ; chebi:smiles "CCCC#CC1=CC=C(C=C1)[C@@H]2[C@@H](N([C@H]2C#N)S(=O)(=O)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100164" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile" . obo:CHEBI_100165 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O5" ; chebi:inchi "InChI=1S/C27H36N2O5/c1-18(2)34-27(32)28(5)15-25-19(3)14-29(20(4)16-30)26(31)24-13-9-8-12-23(24)22-11-7-6-10-21(22)17-33-25/h6-13,18-20,25,30H,14-17H2,1-5H3/t19-,20+,25-/m0/s1" ; chebi:inchikey "JTQSYHMCCHKQKK-DFIYOIEZSA-N" ; chebi:mass "468.586" ; chebi:monoisotopicmass "468.26242" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OC(C)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100165" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11542" . obo:CHEBI_100166 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O7S" ; chebi:inchi "InChI=1S/C26H32N2O7S/c1-33-18-6-5-7-20(13-18)36(31,32)27-17-8-9-23-21(12-17)22-14-19(34-24(16-29)26(22)35-23)15-25(30)28-10-3-2-4-11-28/h5-9,12-13,19,22,24,26-27,29H,2-4,10-11,14-16H2,1H3/t19-,22+,24+,26-/m1/s1" ; chebi:inchikey "RXCSFWYPJHKPEM-WUHHYYHUSA-N" ; chebi:mass "516.609" ; chebi:monoisotopicmass "516.19302" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100166" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide" . obo:CHEBI_100167 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H30N4O5S" ; chebi:inchi "InChI=1S/C25H30N4O5S/c1-35(33,34)29-22-19(14-28-21(22)7-6-18(25(28)32)17-4-2-3-5-17)20(15-30)23(29)24(31)27-13-10-16-8-11-26-12-9-16/h4,6-9,11-12,19-20,22-23,30H,2-3,5,10,13-15H2,1H3,(H,27,31)/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "BCVWPOWNMNUOMW-RLBLXZPPSA-N" ; chebi:mass "498.597" ; chebi:monoisotopicmass "498.19369" ; chebi:smiles "CS(=O)(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CCCC4)[C@@H]([C@H]1C(=O)NCCC5=CC=NC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100167" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100168 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O5S" ; chebi:inchi "InChI=1S/C25H36N4O5S/c1-6-35(31,32)27-20-10-11-23-22(13-20)25(30)28(4)16-24(33-5)18(2)14-29(19(3)17-34-23)15-21-9-7-8-12-26-21/h7-13,18-19,24,27H,6,14-17H2,1-5H3/t18-,19-,24+/m1/s1" ; chebi:inchikey "NFKQXDUJHPCZLU-IECBHUPTSA-N" ; chebi:mass "504.644" ; chebi:monoisotopicmass "504.24064" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100168" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_100169 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C34H36N4O3S" ; chebi:inchi "InChI=1S/C34H36N4O3S/c1-34(2,3)42(41)38-22-28-19-29(33(40)37-16-13-23-8-4-5-9-27(23)21-37)36-32(31(28)30(38)14-17-39)25-11-6-10-24(18-25)26-12-7-15-35-20-26/h4-12,15,18-20,30,39H,13-14,16-17,21-22H2,1-3H3/t30-,42-/m0/s1" ; chebi:inchikey "MWNPJFSJRUIJTE-MIKJVJEASA-N" ; chebi:mass "580.742" ; chebi:monoisotopicmass "580.25081" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100169" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone" . obo:CHEBI_10017 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46658 . _:b20 rdf:type owl:Restriction . obo:CHEBI_10017 rdfs:subClassOf _:b20 . _:b20 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . obo:CHEBI_10017 obo:IAO_0000115 "A heptitol that is heptane-1,2,3,4,5,6,7-heptol that has R-configuration at positions 2, 3, 5 and 6." ; chebi:charge "0" ; chebi:formula "C7H16O7" ; chebi:inchi "InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2/t3-,4-,5-,6-/m1/s1" ; chebi:inchikey "OXQKEKGBFMQTML-KVTDHHQDSA-N" ; chebi:mass "212.19770" ; chebi:monoisotopicmass "212.08960" ; chebi:smiles "OC[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10017" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "volemitol" . obo:CHEBI_100170 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H27F2N3O4" ; chebi:inchi "InChI=1S/C24H27F2N3O4/c25-17-5-7-19(26)21(11-17)28-24(32)27-20-8-6-18(33-22(20)14-30)12-23(31)29-10-9-15-3-1-2-4-16(15)13-29/h1-5,7,11,18,20,22,30H,6,8-10,12-14H2,(H2,27,28,32)/t18-,20+,22-/m0/s1" ; chebi:inchikey "BOSRLBMZBBTOKS-DWLFOUALSA-N" ; chebi:mass "459.487" ; chebi:monoisotopicmass "459.19696" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)N2CCC3=CC=CC=C3C2)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100170" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(2R,3R,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]urea" . obo:CHEBI_100171 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O6" ; chebi:inchi "InChI=1S/C27H35N3O6/c1-17-14-30(19(3)31)18(2)16-36-24-13-20(28-26(32)21-9-7-8-10-23(21)34-5)11-12-22(24)27(33)29(4)15-25(17)35-6/h7-13,17-18,25H,14-16H2,1-6H3,(H,28,32)/t17-,18-,25+/m0/s1" ; chebi:inchikey "NNPXJSNOAUXSRD-DPOKWSEZSA-N" ; chebi:mass "497.584" ; chebi:monoisotopicmass "497.25259" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100171" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxybenzamide" . obo:CHEBI_100172 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C21H25F2N3O4S" ; chebi:inchi "InChI=1S/C21H25F2N3O4S/c22-14-5-13(6-15(23)7-14)9-26-10-16(27)11-29-12-19-18(26)2-1-17(30-19)8-20(28)25-21-24-3-4-31-21/h3-7,16-19,27H,1-2,8-12H2,(H,24,25,28)/t16-,17-,18+,19-/m0/s1" ; chebi:inchikey "HLMLEGKKEQKEEG-OKYOBFRVSA-N" ; chebi:mass "453.505" ; chebi:monoisotopicmass "453.15338" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC(=CC(=C3)F)F)O)O[C@@H]1CC(=O)NC4=NC=CS4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100172" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide" . obo:CHEBI_100173 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H39N3O5" ; chebi:inchi "InChI=1S/C34H39N3O5/c1-22-17-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-26(27)21-42-30(22)19-35(3)18-24-10-9-12-25(16-24)34(40)41/h5-16,22-23,30,38H,17-21H2,1-4H3,(H,40,41)/t22-,23-,30+/m0/s1" ; chebi:inchikey "LTECXWQWCPQLLD-ZTNZZFSWSA-N" ; chebi:mass "569.692" ; chebi:monoisotopicmass "569.28897" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100173" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11550" . obo:CHEBI_100174 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21+,22-,23+/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-PIXNORKHSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100174" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11551" . obo:CHEBI_100175 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H26FN3O5" ; chebi:inchi "InChI=1S/C23H26FN3O5/c1-27(2)21(29)11-16-10-18-17-9-15(7-8-19(17)32-22(18)20(12-28)31-16)26-23(30)25-14-5-3-13(24)4-6-14/h3-9,16,18,20,22,28H,10-12H2,1-2H3,(H2,25,26,30)/t16-,18+,20+,22-/m1/s1" ; chebi:inchikey "HTNOASUNFPMBNX-DCZASFAJSA-N" ; chebi:mass "443.469" ; chebi:monoisotopicmass "443.18565" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100175" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide" . obo:CHEBI_100176 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H32FN5O5S" ; chebi:inchi "InChI=1S/C21H32FN5O5S/c1-15(19(32-5)11-26(4)33(30,31)20-12-25(3)14-23-20)10-27(16(2)13-28)21(29)24-18-8-6-17(22)7-9-18/h6-9,12,14-16,19,28H,10-11,13H2,1-5H3,(H,24,29)/t15-,16-,19+/m1/s1" ; chebi:inchikey "APPCZAALLCDYNG-MDZRGWNJSA-N" ; chebi:mass "485.575" ; chebi:monoisotopicmass "485.21082" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100176" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]urea" . obo:CHEBI_100177 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24-,25+,31-/m0/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-NBTLCYJSSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100177" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11554" . obo:CHEBI_100178 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H24F3N5O3" ; chebi:inchi "InChI=1S/C25H24F3N5O3/c26-25(27,28)14-31-23(35)22-19(13-34)18-12-32-20(21(18)33(22)11-15-3-7-29-8-4-15)2-1-17(24(32)36)16-5-9-30-10-6-16/h1-10,18-19,21-22,34H,11-14H2,(H,31,35)/t18-,19-,21+,22-/m1/s1" ; chebi:inchikey "VFFISKNUVGRLDD-KRXUUXHPSA-N" ; chebi:mass "499.486" ; chebi:monoisotopicmass "499.18312" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H](N([C@@H]2C3=CC=C(C(=O)N31)C4=CC=NC=C4)CC5=CC=NC=C5)C(=O)NCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100178" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-7-pyridin-4-yl-1-(pyridin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100179 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H40N4O6" ; chebi:inchi "InChI=1S/C27H40N4O6/c1-18-14-31(25(32)16-30-9-11-36-12-10-30)19(2)17-37-23-8-7-21(28-26(33)20-5-6-20)13-22(23)27(34)29(3)15-24(18)35-4/h7-8,13,18-20,24H,5-6,9-12,14-17H2,1-4H3,(H,28,33)/t18-,19-,24-/m0/s1" ; chebi:inchikey "UGPRBZOFAYTTOL-JXQFQVJHSA-N" ; chebi:mass "516.631" ; chebi:monoisotopicmass "516.29479" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100179" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-5-[2-(4-morpholinyl)-1-oxoethyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_10018 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22798 ; rdfs:subClassOf obo:CHEBI_23436 ; rdfs:subClassOf obo:CHEBI_63367 ; rdfs:subClassOf obo:CHEBI_80291 ; obo:IAO_0000115 "A cyanogenic glycoside that is (4R)-4-hydroxycyclopent-2-ene-1-carbonitrile attached to a beta-D-glucopyranosyloxy at position 1." ; chebi:charge "0" ; chebi:formula "C12H17NO7" ; chebi:inchi "InChI=1S/C12H17NO7/c13-5-12(2-1-6(15)3-12)20-11-10(18)9(17)8(16)7(4-14)19-11/h1-2,6-11,14-18H,3-4H2/t6-,7+,8+,9-,10+,11-,12-/m0/s1" ; chebi:inchikey "JRCWYCAEAZEYNW-WTMYBKBASA-N" ; chebi:mass "287.26590" ; chebi:monoisotopicmass "287.10050" ; chebi:smiles "OC[C@H]1O[C@@H](O[C@@]2(C[C@@H](O)C=C2)C#N)[C@H](O)[C@@H](O)[C@@H]1O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10018" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "volkenin" . obo:CHEBI_100180 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O4" ; chebi:inchi "InChI=1S/C28H40N4O4/c1-19(2)29-28(34)30-23-12-13-25-24(14-23)27(33)31(5)17-26(35-6)20(3)15-32(21(4)18-36-25)16-22-10-8-7-9-11-22/h7-14,19-21,26H,15-18H2,1-6H3,(H2,29,30,34)/t20-,21-,26-/m1/s1" ; chebi:inchikey "XLOJZIOISXYGBL-IPVFLDMMSA-N" ; chebi:mass "496.643" ; chebi:monoisotopicmass "496.30496" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100180" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_100181 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C31H34N4O6" ; chebi:inchi "InChI=1S/C31H34N4O6/c1-35-25-9-8-22(18-29(36)33-16-13-20-11-14-32-15-12-20)41-28(25)19-40-27-10-7-21(17-24(27)31(35)38)34-30(37)23-5-3-4-6-26(23)39-2/h3-7,10-12,14-15,17,22,25,28H,8-9,13,16,18-19H2,1-2H3,(H,33,36)(H,34,37)/t22-,25+,28-/m0/s1" ; chebi:inchikey "PQVOHAVDCPBJEV-DLNIMUOOSA-N" ; chebi:mass "558.626" ; chebi:monoisotopicmass "558.24783" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4OC)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100181" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide" . obo:CHEBI_100182 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21+,23+,25+,27-/m1/s1" ; chebi:inchikey "ISBRQPNQXSURAN-XASBYKNISA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100182" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100183 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H28N2O6S" ; chebi:inchi "InChI=1S/C20H28N2O6S/c1-29(25,26)22-13-6-7-17-15(8-13)16-9-14(27-18(11-23)20(16)28-17)10-19(24)21-12-4-2-3-5-12/h6-8,12,14,16,18,20,22-23H,2-5,9-11H2,1H3,(H,21,24)/t14-,16+,18-,20-/m1/s1" ; chebi:inchikey "BEWGTMHICYCEOA-IHMNZUQTSA-N" ; chebi:mass "424.513" ; chebi:monoisotopicmass "424.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NC4CCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100183" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide" . obo:CHEBI_100184 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-17-14-31(26(33)20-6-5-11-28-13-20)18(2)16-36-23-10-9-21(29-25(32)19-7-8-19)12-22(23)27(34)30(3)15-24(17)35-4/h5-6,9-13,17-19,24H,7-8,14-16H2,1-4H3,(H,29,32)/t17-,18+,24-/m0/s1" ; chebi:inchikey "DILHJWACXDWAEF-RHGYRFJNSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100184" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(3-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_100185 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H28ClN5O3" ; chebi:inchi "InChI=1S/C24H28ClN5O3/c25-18-7-4-8-19(14-18)26-24(32)27-22-10-9-21(33-23(22)16-31)11-12-30-15-20(28-29-30)13-17-5-2-1-3-6-17/h1-8,14-15,21-23,31H,9-13,16H2,(H2,26,27,32)/t21-,22-,23-/m1/s1" ; chebi:inchikey "QIJBHKKZJCMHEO-DNVJHFABSA-N" ; chebi:mass "469.965" ; chebi:monoisotopicmass "469.18807" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NC(=O)NC4=CC(=CC=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100185" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]urea" . obo:CHEBI_100186 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F3N5O5" ; chebi:inchi "InChI=1S/C25H32F3N5O5/c1-32-11-18(30-15-32)8-9-29-23(35)10-20-6-7-21-22(38-20)14-37-13-19(34)12-33(21)24(36)31-17-4-2-16(3-5-17)25(26,27)28/h2-5,11,15,19-22,34H,6-10,12-14H2,1H3,(H,29,35)(H,31,36)/t19-,20+,21-,22+/m0/s1" ; chebi:inchikey "TWGHTEGHSVIJBR-LNRXMEIDSA-N" ; chebi:mass "539.548" ; chebi:monoisotopicmass "539.23555" ; chebi:smiles "CN1C=C(N=C1)CCNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)NC4=CC=C(C=C4)C(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100186" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8R,10aS)-3-hydroxy-8-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100187 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H28F2N2O5" ; chebi:inchi "InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17-,18+,19-/m1/s1" ; chebi:inchikey "LJZGTTWSAOWWCB-AKHDSKFASA-N" ; chebi:mass "426.455" ; chebi:monoisotopicmass "426.19663" ; chebi:smiles "CCC(=O)N1C[C@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100187" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_100188 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-24-5-3-2-4-17(24)15-30-27(33)14-20-13-23-22-12-19(8-11-25(22)38-28(23)26(16-32)37-20)31-39(34,35)21-9-6-18(29)7-10-21/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23+,26-,28-/m1/s1" ; chebi:inchikey "CRNISVWSFUFTQR-SJPQFPLUSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100188" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100189 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c33-16-27-29-23(14-21(38-27)15-28(34)31-11-10-18-4-2-1-3-5-18)22-13-20(7-9-24(22)39-29)32-30(35)19-6-8-25-26(12-19)37-17-36-25/h1-9,12-13,21,23,27,29,33H,10-11,14-17H2,(H,31,34)(H,32,35)/t21-,23+,27+,29-/m0/s1" ; chebi:inchikey "WERZBRNJFLNQTM-HTMHUVIFSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCCC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100189" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_10019 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48513 ; chebi:charge "0" ; chebi:formula "C22H24N2O4" ; chebi:inchi "InChI=1S/C22H24N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,13,16,19,21,25H,6-11H2,1H3/t13-,16-,19-,21-,22+/m0/s1" ; chebi:inchikey "ZMTYENXGROJCEA-LNKPQSDASA-N" ; chebi:mass "380.438" ; chebi:monoisotopicmass "380.17361" ; chebi:smiles "CN1CC[C@@]23[C@@H]4[C@@H]5[C@H](CC(=O)N4c4c2cccc4O)OCC=C(C1)[C@@H]5CC3=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10019" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Vomicine" . obo:CHEBI_100190 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H31N3O6" ; chebi:inchi "InChI=1S/C21H31N3O6/c1-23(2)20(26)10-17-7-8-18-19(30-17)13-29-12-15(25)11-24(18)21(27)22-14-5-4-6-16(9-14)28-3/h4-6,9,15,17-19,25H,7-8,10-13H2,1-3H3,(H,22,27)/t15-,17+,18+,19-/m1/s1" ; chebi:inchikey "SSPYWNJKRFMGCQ-XGXHKWSGSA-N" ; chebi:mass "421.488" ; chebi:monoisotopicmass "421.22129" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)NC3=CC(=CC=C3)OC)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100190" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8S,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100191 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O6" ; chebi:inchi "InChI=1S/C27H35N3O6/c1-18-14-30(26(32)20-9-7-6-8-10-20)19(2)16-36-23-12-11-21(28-25(31)17-34-4)13-22(23)27(33)29(3)15-24(18)35-5/h6-13,18-19,24H,14-17H2,1-5H3,(H,28,31)/t18-,19+,24-/m1/s1" ; chebi:inchikey "JFYAEFCKASRCBE-YDIMBITNSA-N" ; chebi:mass "497.584" ; chebi:monoisotopicmass "497.25259" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100191" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_100192 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30FN3O6S" ; chebi:inchi "InChI=1S/C21H30FN3O6S/c22-17-4-1-2-5-20(17)32(28,29)24-18-7-6-16(31-19(18)15-26)14-21(27)23-8-3-9-25-10-12-30-13-11-25/h1-2,4-7,16,18-19,24,26H,3,8-15H2,(H,23,27)/t16-,18-,19+/m0/s1" ; chebi:inchikey "XLDWFJCTUAPIOT-YTQUADARSA-N" ; chebi:mass "471.545" ; chebi:monoisotopicmass "471.18394" ; chebi:smiles "C1COCCN1CCCNC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100192" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100193 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H32N2O7" ; chebi:inchi "InChI=1S/C28H32N2O7/c31-14-25-27-21(12-19(36-25)13-26(32)29-17-4-2-1-3-5-17)20-11-18(7-9-22(20)37-27)30-28(33)16-6-8-23-24(10-16)35-15-34-23/h6-11,17,19,21,25,27,31H,1-5,12-15H2,(H,29,32)(H,30,33)/t19-,21-,25+,27+/m1/s1" ; chebi:inchikey "VAJXXPPWCPTEHE-FALQBERWSA-N" ; chebi:mass "508.564" ; chebi:monoisotopicmass "508.22095" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100193" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100194 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C35H36N4O4S" ; chebi:inchi "InChI=1S/C35H36N4O4S/c1-35(2,3)44(42)39-22-28-19-30(34(41)37-21-24-9-6-13-29(17-24)43-4)38-33(32(28)31(39)14-15-40)27-12-7-11-26(18-27)25-10-5-8-23(16-25)20-36/h5-13,16-19,31,40H,14-15,21-22H2,1-4H3,(H,37,41)/t31-,44-/m1/s1" ; chebi:inchikey "ARPJWHDFQDPYLK-VRESAINUSA-N" ; chebi:mass "608.752" ; chebi:monoisotopicmass "608.24573" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100194" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100195 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c33-24-17-32(29(35)22-7-4-14-30-16-22)26-13-12-25(37-27(26)19-36-18-24)15-28(34)31-23-10-8-21(9-11-23)20-5-2-1-3-6-20/h1-11,14,16,24-27,33H,12-13,15,17-19H2,(H,31,34)/t24-,25+,26-,27+/m0/s1" ; chebi:inchikey "WTHWQCPYZWPYSX-YYGZZXRFSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CN=CC=C3)O)O[C@H]1CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100195" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_100196 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H28N2O6S" ; chebi:inchi "InChI=1S/C20H28N2O6S/c1-29(25,26)22-13-6-7-17-15(8-13)16-9-14(27-18(11-23)20(16)28-17)10-19(24)21-12-4-2-3-5-12/h6-8,12,14,16,18,20,22-23H,2-5,9-11H2,1H3,(H,21,24)/t14-,16+,18+,20-/m1/s1" ; chebi:inchikey "BEWGTMHICYCEOA-VKSDOSABSA-N" ; chebi:mass "424.513" ; chebi:monoisotopicmass "424.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NC4CCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100196" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide" . obo:CHEBI_100197 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H45N3O4" ; chebi:inchi "InChI=1S/C29H45N3O4/c1-20-16-32(17-22-9-6-5-7-10-22)21(2)19-36-26-15-24(30-28(33)23-11-8-12-23)13-14-25(26)29(34)31(3)18-27(20)35-4/h13-15,20-23,27H,5-12,16-19H2,1-4H3,(H,30,33)/t20-,21+,27-/m1/s1" ; chebi:inchikey "ZYUAJIZJWFLNII-PBDKAQRYSA-N" ; chebi:mass "499.686" ; chebi:monoisotopicmass "499.34101" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)CC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100197" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_100198 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H27N3O6" ; chebi:inchi "InChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-4-5-19-17(7-15)18-8-16(31-20(12-27)23(18)32-19)9-21(28)25-11-14-3-2-6-24-10-14/h2-7,10,16,18,20,23,27H,8-9,11-13H2,1H3,(H,25,28)(H,26,29)/t16-,18+,20-,23-/m1/s1" ; chebi:inchikey "HQZJCXNXJWTAKA-RWSUSOHTSA-N" ; chebi:mass "441.478" ; chebi:monoisotopicmass "441.18999" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100198" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_100199 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C22H28ClN3O4S" ; chebi:inchi "InChI=1S/C22H28ClN3O4S/c23-18-4-2-1-3-15(18)10-25-21(28)9-17-5-6-19-20(30-17)14-29-13-16(27)11-26(19)12-22-24-7-8-31-22/h1-4,7-8,16-17,19-20,27H,5-6,9-14H2,(H,25,28)/t16-,17+,19+,20-/m1/s1" ; chebi:inchikey "VRNJYJIECLSBHX-LCLWPZTBSA-N" ; chebi:mass "465.995" ; chebi:monoisotopicmass "465.14891" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@@H]1CC(=O)NCC4=CC=CC=C4Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100199" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_1002 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18372 ; owl:deprecated true . obo:CHEBI_10020 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_49164 ; owl:deprecated true . obo:CHEBI_100200 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23-,26-,28-/m0/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-BPRLDMBXSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100200" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100201 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O7" ; chebi:inchi "InChI=1S/C32H46N4O7/c1-21-17-36(22(2)19-37)31(38)26-16-25(34(4)5)11-13-27(26)43-23(3)9-7-8-14-40-30(21)18-35(6)32(39)33-24-10-12-28-29(15-24)42-20-41-28/h10-13,15-16,21-23,30,37H,7-9,14,17-20H2,1-6H3,(H,33,39)/t21-,22+,23+,30-/m0/s1" ; chebi:inchikey "SIEZSLVXLUPDNY-NWWGNFDPSA-N" ; chebi:mass "598.731" ; chebi:monoisotopicmass "598.33665" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100201" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(1,3-benzodioxol-5-yl)-1-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_100202 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O6" ; chebi:inchi "InChI=1S/C27H35N3O6/c1-18-14-30(26(32)20-9-7-6-8-10-20)19(2)16-36-23-12-11-21(28-25(31)17-34-4)13-22(23)27(33)29(3)15-24(18)35-5/h6-13,18-19,24H,14-17H2,1-5H3,(H,28,31)/t18-,19-,24-/m0/s1" ; chebi:inchikey "JFYAEFCKASRCBE-JXQFQVJHSA-N" ; chebi:mass "497.584" ; chebi:monoisotopicmass "497.25259" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100202" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_100203 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22-,27+,28-/m0/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-VPCISXJNSA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H]4CCCN4C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100203" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11580" . obo:CHEBI_100204 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5S" ; chebi:inchi "InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-14-7-8-15-28(27)35(31)4)26-13-6-5-10-23(26)20-41-29(21)18-34(3)42(39,40)25-12-9-11-24(33)16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22+,29-/m1/s1" ; chebi:inchikey "QBEIQJOXWRLXRW-UETOGOEVSA-N" ; chebi:mass "593.711" ; chebi:monoisotopicmass "593.23597" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100204" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11581" . obo:CHEBI_100205 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c1-15-9-16(2)11-18(10-15)28-26(32)27-17-5-8-22-20(12-17)25(31)29(3)21-7-6-19(13-24(30)33-4)35-23(21)14-34-22/h5,8-12,19,21,23H,6-7,13-14H2,1-4H3,(H2,27,28,32)/t19-,21-,23+/m0/s1" ; chebi:inchikey "ANPNCKARMDTJMY-IEIRFRATSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@H](O4)CC(=O)OC)N(C3=O)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100205" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_100206 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C23H28N2O4" ; chebi:inchi "InChI=1S/C23H28N2O4/c26-19-13-24-21-11-10-20(29-22(21)15-28-14-19)12-23(27)25-18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-22,24,26H,10-15H2,(H,25,27)/t19-,20+,21-,22+/m1/s1" ; chebi:inchikey "UTTUQCGEIXLGEI-MBDNFAEBSA-N" ; chebi:mass "396.480" ; chebi:monoisotopicmass "396.20491" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100206" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_100207 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O4" ; chebi:inchi "InChI=1S/C32H46N4O4/c1-23-20-36(18-17-25-11-7-5-8-12-25)24(2)22-40-29-16-15-27(34-32(38)33-26-13-9-6-10-14-26)19-28(29)31(37)35(3)21-30(23)39-4/h5,7-8,11-12,15-16,19,23-24,26,30H,6,9-10,13-14,17-18,20-22H2,1-4H3,(H2,33,34,38)/t23-,24+,30+/m0/s1" ; chebi:inchikey "ONZMGLOOFFOJCP-FVBCXUTKSA-N" ; chebi:mass "550.733" ; chebi:monoisotopicmass "550.35191" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3CCCCC3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100207" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100208 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O5" ; chebi:inchi "InChI=1S/C25H33N3O5/c1-16-13-26-17(2)15-33-22-10-9-19(12-21(22)25(30)28(3)14-23(16)32-5)27-24(29)18-7-6-8-20(11-18)31-4/h6-12,16-17,23,26H,13-15H2,1-5H3,(H,27,29)/t16-,17-,23-/m1/s1" ; chebi:inchikey "OOHQDHOXZWVAAU-SEPYTNNBSA-N" ; chebi:mass "455.548" ; chebi:monoisotopicmass "455.24202" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100208" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100209 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C21H29N3O4" ; chebi:inchi "InChI=1S/C21H29N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-8,13,16-19,25H,9-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18+,19-/m1/s1" ; chebi:inchikey "PBTCYEHOLZFKGG-CEXWTWQISA-N" ; chebi:mass "387.473" ; chebi:monoisotopicmass "387.21581" ; chebi:smiles "CC(C)NC(=O)N[C@H]1C=C[C@@H](O[C@@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100209" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_10021 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16408 ; owl:deprecated true . obo:CHEBI_100210 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H23FN2O6" ; chebi:inchi "InChI=1S/C26H23FN2O6/c1-35-15-8-6-14(7-9-15)16-10-11-20-23-22(26(33)34)18(13-30)21(12-28(20)24(16)31)29(23)25(32)17-4-2-3-5-19(17)27/h2-11,18,21-23,30H,12-13H2,1H3,(H,33,34)/t18-,21-,22+,23+/m0/s1" ; chebi:inchikey "HJRLJVUTEJWJEN-XSEFMFLKSA-N" ; chebi:mass "478.470" ; chebi:monoisotopicmass "478.15401" ; chebi:smiles "COC1=CC=C(C=C1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4C(=O)C5=CC=CC=C5F)CN3C2=O)CO)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100210" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11587" . obo:CHEBI_100211 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H41N3O5" ; chebi:inchi "InChI=1S/C35H41N3O5/c1-23-19-38(24(2)21-39)34(40)32-31(28-17-11-12-18-29(28)37(32)4)27-16-10-9-15-26(27)22-43-30(23)20-36(3)35(41)33(42-5)25-13-7-6-8-14-25/h6-18,23-24,30,33,39H,19-22H2,1-5H3/t23-,24-,30-,33+/m0/s1" ; chebi:inchikey "ZXKFKEACMTVYCV-HWQLMJRHSA-N" ; chebi:mass "583.718" ; chebi:monoisotopicmass "583.30462" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100211" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11588" . obo:CHEBI_100212 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22-,29-/m1/s1" ; chebi:inchikey "GTRXSASKUSVSHJ-IEOSBIPESA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100212" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11589" . obo:CHEBI_100213 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23+,26-,28-/m0/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-OKWYHVSVSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100213" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100214 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H39N3O4" ; chebi:inchi "InChI=1S/C34H39N3O4/c1-23-19-37(24(2)21-38)34(40)33-32(28-16-10-11-17-29(28)36(33)4)27-15-9-8-14-26(27)22-41-30(23)20-35(3)31(39)18-25-12-6-5-7-13-25/h5-17,23-24,30,38H,18-22H2,1-4H3/t23-,24+,30-/m0/s1" ; chebi:inchikey "BENJSVFNXVDSQO-BBANNHEPSA-N" ; chebi:mass "553.692" ; chebi:monoisotopicmass "553.29406" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100214" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11591" . obo:CHEBI_100215 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N5O4" ; chebi:inchi "InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18-,23-/m1/s1" ; chebi:inchikey "ZGJMWZDWXNCIBA-PMAPCBKXSA-N" ; chebi:mass "469.577" ; chebi:monoisotopicmass "469.26890" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100215" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_100216 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H32ClN3O5" ; chebi:inchi "InChI=1S/C26H32ClN3O5/c1-17(18-6-3-2-4-7-18)28-25(32)13-22-10-11-23-24(35-22)16-34-15-21(31)14-30(23)26(33)29-20-9-5-8-19(27)12-20/h2-9,12,17,21-24,31H,10-11,13-16H2,1H3,(H,28,32)(H,29,33)/t17-,21-,22-,23-,24+/m0/s1" ; chebi:inchikey "QYSMODXJNCJWNA-DROZZWDISA-N" ; chebi:mass "502.003" ; chebi:monoisotopicmass "501.20305" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)NC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100216" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100217 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H37ClN2O4" ; chebi:inchi "InChI=1S/C25H37ClN2O4/c26-20-8-4-7-19(11-20)14-28-15-21(29)16-31-17-24-23(28)10-9-22(32-24)12-25(30)27-13-18-5-2-1-3-6-18/h4,7-8,11,18,21-24,29H,1-3,5-6,9-10,12-17H2,(H,27,30)/t21-,22+,23-,24+/m0/s1" ; chebi:inchikey "UWGYAIIPASVTSB-UARRHKHWSA-N" ; chebi:mass "465.026" ; chebi:monoisotopicmass "464.24419" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100217" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_100218 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H37N3O4" ; chebi:inchi "InChI=1S/C30H37N3O4/c1-19-15-33(20(2)17-34)30(36)28-27(24-11-7-8-12-25(24)32(28)4)23-10-6-5-9-22(23)18-37-26(19)16-31(3)29(35)21-13-14-21/h5-12,19-21,26,34H,13-18H2,1-4H3/t19-,20+,26-/m1/s1" ; chebi:inchikey "YAQCSVWFCUIVLJ-BVFVYWQFSA-N" ; chebi:mass "503.634" ; chebi:monoisotopicmass "503.27841" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4CC4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100218" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11595" . obo:CHEBI_100219 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H20N2O2" ; chebi:inchi "InChI=1S/C17H20N2O2/c18-10-14-16(12-6-2-1-3-7-12)15(11-20)19(14)17(21)13-8-4-5-9-13/h1-3,6-7,13-16,20H,4-5,8-9,11H2/t14-,15+,16-/m1/s1" ; chebi:inchikey "RUNWFOIXOHBRTB-OWCLPIDISA-N" ; chebi:mass "284.354" ; chebi:monoisotopicmass "284.15248" ; chebi:smiles "C1CCC(C1)C(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100219" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_10022 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_15734 ; rdfs:subClassOf obo:CHEBI_2468 ; rdfs:subClassOf obo:CHEBI_27136 ; rdfs:subClassOf obo:CHEBI_3992 ; rdfs:subClassOf obo:CHEBI_51689 ; rdfs:subClassOf obo:CHEBI_55517 ; chebi:charge "0" ; chebi:formula "C15H20O6" ; chebi:inchi "InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15-/m1/s1" ; chebi:inchikey "LINOMUASTDIRTM-LZTLOYDTSA-N" ; chebi:mass "296.316" ; chebi:monoisotopicmass "296.12599" ; chebi:smiles "CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@@]33CO3)[C@@]2(CO)[C@H](O)C1=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10022" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Vomitoxin" . obo:CHEBI_100220 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H32FN3O4" ; chebi:inchi "InChI=1S/C22H32FN3O4/c23-17-8-4-5-9-18(17)25-22(29)26-19-11-10-16(30-20(19)14-27)12-13-24-21(28)15-6-2-1-3-7-15/h4-5,8-9,15-16,19-20,27H,1-3,6-7,10-14H2,(H,24,28)(H2,25,26,29)/t16-,19+,20+/m0/s1" ; chebi:inchikey "ABKGFAHRWOKBSI-PWIZWCRZSA-N" ; chebi:mass "421.506" ; chebi:monoisotopicmass "421.23768" ; chebi:smiles "C1CCC(CC1)C(=O)NCC[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100220" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6S)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide" . obo:CHEBI_100221 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23+,26-,28-/m1/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-SJJZSITHSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100221" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100222 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H30F3N3O5" ; chebi:inchi "InChI=1S/C30H30F3N3O5/c1-17(18-5-3-2-4-6-18)34-27(38)15-22-14-24-23-13-21(11-12-25(23)41-28(24)26(16-37)40-22)36-29(39)35-20-9-7-19(8-10-20)30(31,32)33/h2-13,17,22,24,26,28,37H,14-16H2,1H3,(H,34,38)(H2,35,36,39)/t17-,22-,24-,26-,28+/m0/s1" ; chebi:inchikey "HZCFRKFPOJNJBV-VDXPONGZSA-N" ; chebi:mass "569.573" ; chebi:monoisotopicmass "569.21376" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100222" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100223 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C30H37N3O3" ; chebi:inchi "InChI=1S/C30H37N3O3/c34-19-25-24-18-33-26(12-11-23(29(33)35)22-9-5-2-6-10-22)27(24)31-28(25)30(36)32-15-13-21(14-16-32)17-20-7-3-1-4-8-20/h1,3-4,7-9,11-12,21,24-25,27-28,31,34H,2,5-6,10,13-19H2/t24-,25-,27+,28-/m0/s1" ; chebi:inchikey "FDPYZAHJFSZBPH-KWNVVKLJSA-N" ; chebi:mass "487.634" ; chebi:monoisotopicmass "487.28349" ; chebi:smiles "C1CCC(=CC1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4)C(=O)N5CCC(CC5)CC6=CC=CC=C6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100223" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclohexenyl)-3-(hydroxymethyl)-2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_100224 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H38N4O5" ; chebi:inchi "InChI=1S/C32H38N4O5/c1-19-15-36(20(2)17-37)32(39)30-29(25-13-9-10-14-26(25)35(30)6)24-12-8-7-11-23(24)18-40-27(19)16-34(5)31(38)28-21(3)33-41-22(28)4/h7-14,19-20,27,37H,15-18H2,1-6H3/t19-,20-,27+/m0/s1" ; chebi:inchikey "LBGXIXNVJUEMSO-OWOAZTCBSA-N" ; chebi:mass "558.669" ; chebi:monoisotopicmass "558.28422" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100224" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11601" . obo:CHEBI_100225 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H32N2O7S" ; chebi:inchi "InChI=1S/C24H32N2O7S/c1-17(13-26(18(2)15-27)34(29,30)20-8-6-5-7-9-20)23(31-4)14-25(3)24(28)19-10-11-21-22(12-19)33-16-32-21/h5-12,17-18,23,27H,13-16H2,1-4H3/t17-,18+,23+/m1/s1" ; chebi:inchikey "ADONDIFMYIEKMI-STSQHVNTSA-N" ; chebi:mass "492.587" ; chebi:monoisotopicmass "492.19302" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100225" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100226 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H43N5O4" ; chebi:inchi "InChI=1S/C33H43N5O4/c1-6-16-35-33(40)36-27-14-15-30-28(18-27)32(39)37(4)21-31(41-5)23(2)19-38(24(3)22-42-30)20-25-10-12-26(13-11-25)29-9-7-8-17-34-29/h7-15,17-18,23-24,31H,6,16,19-22H2,1-5H3,(H2,35,36,40)/t23-,24+,31-/m1/s1" ; chebi:inchikey "DHPIXDXHWYRYQT-ULPIOCOXSA-N" ; chebi:mass "573.727" ; chebi:monoisotopicmass "573.33150" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=C(C=C3)C4=CC=CC=N4)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100226" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[[4-(2-pyridinyl)phenyl]methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_100227 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H30N4O6" ; chebi:inchi "InChI=1S/C28H30N4O6/c1-36-20-8-5-17(6-9-20)31-28(35)32-18-7-10-24-22(12-18)23-13-21(37-25(16-33)27(23)38-24)14-26(34)30-15-19-4-2-3-11-29-19/h2-12,21,23,25,27,33H,13-16H2,1H3,(H,30,34)(H2,31,32,35)/t21-,23-,25+,27+/m0/s1" ; chebi:inchikey "FWDZHOQSJMEDFJ-JZEPBHRJSA-N" ; chebi:mass "518.562" ; chebi:monoisotopicmass "518.21653" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100227" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100228 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H20FN3OS" ; chebi:inchi "InChI=1S/C22H20FN3OS/c1-2-18-12-25-22(28-18)26-19(11-24)21(20(26)13-27)15-8-6-14(7-9-15)16-4-3-5-17(23)10-16/h3-10,12,19-21,27H,2,13H2,1H3/t19-,20+,21-/m0/s1" ; chebi:inchikey "IQRVCTXELZIWDH-HBMCJLEFSA-N" ; chebi:mass "393.479" ; chebi:monoisotopicmass "393.13111" ; chebi:smiles "CCC1=CN=C(S1)N2[C@@H]([C@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100228" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100229 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c1-3-5-25(32)30-19-8-11-23-21(13-19)27(34)31(2)22-10-9-20(36-24(22)16-35-23)14-26(33)29-15-17-6-4-7-18(28)12-17/h4,6-8,11-13,20,22,24H,3,5,9-10,14-16H2,1-2H3,(H,29,33)(H,30,32)/t20-,22-,24+/m0/s1" ; chebi:inchikey "BYJFOJVMGKORHN-ODGPQVTHSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@H](O3)CC(=O)NCC4=CC(=CC=C4)F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100229" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide" . obo:CHEBI_10023 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26878 ; rdfs:subClassOf obo:CHEBI_38582 ; rdfs:subClassOf obo:CHEBI_39447 ; rdfs:subClassOf obo:CHEBI_87071 ; rdfs:subClassOf obo:CHEBI_87101 . _:b21 rdf:type owl:Restriction . obo:CHEBI_10023 rdfs:subClassOf _:b21 . _:b21 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50183 . obo:CHEBI_10023 obo:IAO_0000115 "A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4." ; chebi:charge "0" ; chebi:formula "C16H14F3N5O" ; chebi:inchi "InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1" ; chebi:inchikey "BCEHBSKCWLPMDN-MGPLVRAMSA-N" ; chebi:mass "349.31050" ; chebi:monoisotopicmass "349.11504" ; chebi:smiles "C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F" ; oboInOwl:hasAlternativeId "CHEBI:127308" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10023" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "voriconazole" . obo:CHEBI_100230 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b22 rdf:type owl:Restriction . obo:CHEBI_100230 rdfs:subClassOf _:b22 . _:b22 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_100230 chebi:charge "0" ; chebi:formula "C19H19F2N3O3" ; chebi:inchi "InChI=1S/C19H19F2N3O3/c20-11-4-10(5-12(21)6-11)7-22-19(27)17-13(9-25)14-8-24-15(18(17)23-14)2-1-3-16(24)26/h1-6,13-14,17-18,23,25H,7-9H2,(H,22,27)/t13-,14-,17+,18+/m1/s1" ; chebi:inchikey "ZFBXTHNADMEDJT-KNCCTNLNSA-N" ; chebi:mass "375.370" ; chebi:monoisotopicmass "375.13945" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2)C3=CC=CC(=O)N31)C(=O)NCC4=CC(=CC(=C4)F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100230" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11607" . obo:CHEBI_100231 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C19H19FN2O4" ; chebi:inchi "InChI=1S/C19H19FN2O4/c1-26-19(25)16-12(9-23)14-8-22-15(17(16)21-14)7-6-11(18(22)24)10-4-2-3-5-13(10)20/h2-7,12,14,16-17,21,23H,8-9H2,1H3/t12-,14-,16+,17+/m1/s1" ; chebi:inchikey "NXPHSKBMFHKARG-IRWJRLHMSA-N" ; chebi:mass "358.364" ; chebi:monoisotopicmass "358.13289" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@@H]1N2)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100231" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11608" . obo:CHEBI_100232 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H30F3N3O6" ; chebi:inchi "InChI=1S/C30H30F3N3O6/c1-40-24-5-3-2-4-17(24)15-34-27(38)14-21-13-23-22-12-20(10-11-25(22)42-28(23)26(16-37)41-21)36-29(39)35-19-8-6-18(7-9-19)30(31,32)33/h2-12,21,23,26,28,37H,13-16H2,1H3,(H,34,38)(H2,35,36,39)/t21-,23+,26-,28-/m1/s1" ; chebi:inchikey "SYQUHMCSVCULSJ-PKZARACNSA-N" ; chebi:mass "585.572" ; chebi:monoisotopicmass "585.20867" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100232" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100233 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C24H23FN2O2" ; chebi:inchi "InChI=1S/C24H23FN2O2/c25-20-8-4-7-19(13-20)24(29)27-21(14-26)23(22(27)15-28)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h4-5,7-13,21-23,28H,1-3,6,15H2/t21-,22+,23-/m0/s1" ; chebi:inchikey "BSEGMNXKWUIHHS-ZRBLBEILSA-N" ; chebi:mass "390.451" ; chebi:monoisotopicmass "390.17436" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@H](N([C@H]3C#N)C(=O)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100233" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100234 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-25(2)15-6-7-19-17(9-15)18-10-16(28-20(13-26)22(18)29-19)11-21(27)24-12-14-5-3-4-8-23-14/h3-9,16,18,20,22,26H,10-13H2,1-2H3,(H,24,27)/t16-,18-,20-,22+/m1/s1" ; chebi:inchikey "PSRJUTPUZRNONK-ZLLBNUPZSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100234" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100235 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H30F2N2O6" ; chebi:inchi "InChI=1S/C27H30F2N2O6/c28-17-1-3-22(29)16(9-17)13-30-25(33)12-19-11-21-20-10-18(31-27(34)15-5-7-35-8-6-15)2-4-23(20)37-26(21)24(14-32)36-19/h1-4,9-10,15,19,21,24,26,32H,5-8,11-14H2,(H,30,33)(H,31,34)/t19-,21-,24-,26+/m0/s1" ; chebi:inchikey "UVPONYOZSFJNDG-YKNOVDGGSA-N" ; chebi:mass "516.535" ; chebi:monoisotopicmass "516.20719" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100235" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100236 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C33H36N2O7" ; chebi:inchi "InChI=1S/C33H36N2O7/c36-20-30-32-28(27-16-23(8-11-29(27)42-32)35-33(38)22-12-14-39-15-13-22)17-26(41-30)18-31(37)34-19-21-6-9-25(10-7-21)40-24-4-2-1-3-5-24/h1-11,16,22,26,28,30,32,36H,12-15,17-20H2,(H,34,37)(H,35,38)/t26-,28+,30+,32-/m1/s1" ; chebi:inchikey "MARYDHBQWVLAFX-XXKKVQIQSA-N" ; chebi:mass "572.649" ; chebi:monoisotopicmass "572.25225" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100236" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100237 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30FN3O5S" ; chebi:inchi "InChI=1S/C23H30FN3O5S/c1-15-12-25-16(2)14-32-20-11-17(26-33(29,30)22-8-6-5-7-19(22)24)9-10-18(20)23(28)27(3)13-21(15)31-4/h5-11,15-16,21,25-26H,12-14H2,1-4H3/t15-,16-,21-/m1/s1" ; chebi:inchikey "DHNAZJFKQHWVTC-WHSLLNHNSA-N" ; chebi:mass "479.567" ; chebi:monoisotopicmass "479.18902" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100237" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_100238 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O4S" ; chebi:inchi "InChI=1S/C25H36N4O4S/c1-6-7-23(30)27-19-8-9-21-20(12-19)25(31)28(4)14-22(32-5)17(2)13-29(18(3)16-33-21)15-24-26-10-11-34-24/h8-12,17-18,22H,6-7,13-16H2,1-5H3,(H,27,30)/t17-,18-,22+/m0/s1" ; chebi:inchikey "LLNFNSHBDLACGS-NPPFBWRTSA-N" ; chebi:mass "488.645" ; chebi:monoisotopicmass "488.24573" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100238" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100239 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-3-40(36,37)31-21-9-12-26-24(15-21)29(35)32(2)25-11-10-23(39-27(25)19-38-26)16-28(34)30-22-13-14-33(18-22)17-20-7-5-4-6-8-20/h4-9,12,15,22-23,25,27,31H,3,10-11,13-14,16-19H2,1-2H3,(H,30,34)/t22-,23+,25-,27-/m0/s1" ; chebi:inchikey "IJWLFSVDDGQQHF-STMVPXLDSA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100239" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_10024 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H20O4" ; chebi:inchi "InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1" ; chebi:inchikey "NGPDZEACIWDCKX-WUDKWMPASA-N" ; chebi:mass "264.317" ; chebi:monoisotopicmass "264.13616" ; chebi:smiles "C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10024" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Vulgarin" . obo:CHEBI_100240 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-11-17(27-24(31)28-20-8-6-5-7-19(20)25)9-10-18(21)23(30)29(3)13-22(15)32-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16-,22+/m1/s1" ; chebi:inchikey "VOCYCOKXIBOWBC-MCFFVMPBSA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100240" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-chlorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100241 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23765 ; rdfs:subClassOf obo:CHEBI_26512 ; rdfs:subClassOf obo:CHEBI_36709 ; rdfs:subClassOf obo:CHEBI_46848 ; rdfs:subClassOf obo:CHEBI_86324 ; rdfs:subClassOf obo:CHEBI_87211 . _:b23 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b23 . _:b23 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33281 . _:b24 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b24 . _:b24 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35441 . _:b25 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b25 . _:b25 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35703 . _:b26 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b26 . _:b26 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36047 . _:b27 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b27 . _:b27 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50750 . _:b28 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b28 . _:b28 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_53559 . _:b29 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b29 . _:b29 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_59517 . _:b30 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b30 . _:b30 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_78298 . obo:CHEBI_100241 obo:IAO_0000115 "A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively." ; chebi:charge "0" ; chebi:formula "C17H18FN3O3" ; chebi:inchi "InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)" ; chebi:inchikey "MYSWGUAQZAJSOK-UHFFFAOYSA-N" ; chebi:mass "331.34150" ; chebi:monoisotopicmass "331.13322" ; chebi:smiles "OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O" ; oboInOwl:hasAlternativeId "CHEBI:102718" ; oboInOwl:hasAlternativeId "CHEBI:3717" ; oboInOwl:hasAlternativeId "CHEBI:41638" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100241" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "ciprofloxacin" . obo:CHEBI_100242 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_53165 . _:b31 rdf:type owl:Restriction . obo:CHEBI_100242 rdfs:subClassOf _:b31 . _:b31 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_100247 . obo:CHEBI_100242 obo:IAO_0000115 "An N-hydroxysuccinimide ester derived from 5-(3-azidopropylamino)-5-oxopentanoic acid." ; chebi:charge "0" ; chebi:formula "C12H17N5O5" ; chebi:inchi "InChI=1S/C12H17N5O5/c13-16-15-8-2-7-14-9(18)3-1-4-12(21)22-17-10(19)5-6-11(17)20/h1-8H2,(H,14,18)" ; chebi:inchikey "BQVRKJWREPLZKE-UHFFFAOYSA-N" ; chebi:mass "311.294" ; chebi:monoisotopicmass "311.12297" ; chebi:smiles "O=C(NCCCN=[N+]=[N-])CCCC(ON1C(CCC1=O)=O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100242" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N-succinimidyl 5-(3-azidopropylamino)-5-oxopentanoate" . obo:CHEBI_100243 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H28F2N4O5" ; chebi:inchi "InChI=1S/C23H28F2N4O5/c1-33-16-5-3-15(4-6-16)27-23(32)28-19-9-7-17(34-21(19)13-30)10-11-26-22(31)29-20-12-14(24)2-8-18(20)25/h2-6,8,12,17,19,21,30H,7,9-11,13H2,1H3,(H2,26,29,31)(H2,27,28,32)/t17-,19+,21-/m1/s1" ; chebi:inchikey "CXRYDROHJOKZNG-SLYNCCJLSA-N" ; chebi:mass "478.490" ; chebi:monoisotopicmass "478.20278" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)NC3=C(C=CC(=C3)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100243" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_100244 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C35H32N2O8" ; chebi:inchi "InChI=1S/C35H32N2O8/c38-19-32-34-28(27-15-23(9-13-29(27)45-34)37-35(40)22-8-12-30-31(14-22)42-20-41-30)16-26(44-32)17-33(39)36-18-21-6-10-25(11-7-21)43-24-4-2-1-3-5-24/h1-15,26,28,32,34,38H,16-20H2,(H,36,39)(H,37,40)/t26-,28-,32+,34+/m1/s1" ; chebi:inchikey "HZYAIKCNCGBDKG-QHMPLAMHSA-N" ; chebi:mass "608.639" ; chebi:monoisotopicmass "608.21587" ; chebi:smiles "C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=C(C=C6)OC7=CC=CC=C7" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100244" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100245 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21+,22-,23-,24+/m0/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-VHJOFQCFSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100245" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8S,10aS)-3-hydroxy-8-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100246 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23765 ; rdfs:subClassOf obo:CHEBI_26512 ; rdfs:subClassOf obo:CHEBI_46848 ; rdfs:subClassOf obo:CHEBI_86324 ; rdfs:subClassOf obo:CHEBI_87211 . _:b32 rdf:type owl:Restriction . obo:CHEBI_100246 rdfs:subClassOf _:b32 . _:b32 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35703 . _:b33 rdf:type owl:Restriction . obo:CHEBI_100246 rdfs:subClassOf _:b33 . _:b33 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36047 . _:b34 rdf:type owl:Restriction . obo:CHEBI_100246 rdfs:subClassOf _:b34 . _:b34 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_59517 . _:b35 rdf:type owl:Restriction . obo:CHEBI_100246 rdfs:subClassOf _:b35 . _:b35 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_78298 . obo:CHEBI_100246 obo:IAO_0000115 "A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase." ; chebi:charge "0" ; chebi:formula "C16H18FN3O3" ; chebi:inchi "InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)" ; chebi:inchikey "OGJPXUAPXNRGGI-UHFFFAOYSA-N" ; chebi:mass "319.33080" ; chebi:monoisotopicmass "319.13322" ; chebi:smiles "CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1" ; oboInOwl:hasAlternativeId "CHEBI:7629" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100246" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "norfloxacin" . obo:CHEBI_100247 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_22680 ; rdfs:subClassOf obo:CHEBI_35871 ; obo:IAO_0000115 "An oxo monocarboxylic acid in which pentanoic acid is substituted at C-5 with an oxo group and a 3-azidopropylamino group." ; chebi:charge "0" ; chebi:formula "C8H14N4O3" ; chebi:inchi "InChI=1S/C8H14N4O3/c9-12-11-6-2-5-10-7(13)3-1-4-8(14)15/h1-6H2,(H,10,13)(H,14,15)" ; chebi:inchikey "UPZALMCPRFZBAD-UHFFFAOYSA-N" ; chebi:mass "214.222" ; chebi:monoisotopicmass "214.10659" ; chebi:smiles "O=C(NCCCN=[N+]=[N-])CCCC(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100247" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "5-(3-azidopropylamino)-5-oxopentanoic acid" . obo:CHEBI_100248 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C15H26N2O6" ; chebi:inchi "InChI=1S/C15H26N2O6/c1-2-5-16-15(21)17-7-10(18)8-22-9-13-12(17)4-3-11(23-13)6-14(19)20/h10-13,18H,2-9H2,1H3,(H,16,21)(H,19,20)/t10-,11+,12-,13+/m1/s1" ; chebi:inchikey "DUBDZBJJIAHCBK-XQHKEYJVSA-N" ; chebi:mass "330.377" ; chebi:monoisotopicmass "330.17909" ; chebi:smiles "CCCNC(=O)N1C[C@H](COC[C@H]2[C@H]1CC[C@H](O2)CC(=O)O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100248" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(propylamino)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid" . obo:CHEBI_100249 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-2-11-24-21(27)25-18(12-23)20(19(25)13-26)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-20,26H,2,11,13H2,1H3,(H,24,27)/t18-,19+,20-/m0/s1" ; chebi:inchikey "NYKFFZXKZNVNOG-ZCNNSNEGSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CCCNC(=O)N1[C@@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100249" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide" . obo:CHEBI_10025 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83925 ; chebi:charge "0" ; chebi:formula "C14H17N3O7" ; chebi:inchi "InChI=1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,17H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b7-3-,16-4-/t8-,10-/m0/s1" ; chebi:inchikey "PDBJJFJKNSKTSW-IRFVBRLPSA-N" ; chebi:mass "339.301" ; chebi:monoisotopicmass "339.10665" ; chebi:smiles "NC(=O)CC[C@H](\\N=C/C=C1C[C@H](NC(=C\\1)C(O)=O)C(O)=O)C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10025" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Vulgaxanthin-I" . obo:CHEBI_100250 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23-,25-,26-/m1/s1" ; chebi:inchikey "DIIJYNJFSHJSFY-OQUNMALSSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "CN1C[C@@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@@H](CC1=O)C4=CC=CC=C4)C)C#N)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100250" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11625" . obo:CHEBI_100251 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-3-11-27-20-13-28-19(9-8-17(24(28)31)15-4-6-16(25)7-5-15)22(27)21(18(20)14-29)23(30)26-10-12-32-2/h4-9,18,20-22,29H,3,10-14H2,1-2H3,(H,26,30)/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "IYRJHNQZTHMZFV-YJMBLLCNSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "CCCN1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]1[C@H]([C@@H]2CO)C(=O)NCCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100251" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11626" . obo:CHEBI_100252 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O7" ; chebi:inchi "InChI=1S/C21H28N2O7/c1-27-12-19(25)22-13-2-3-17-15(8-13)16-9-14(29-18(11-24)21(16)30-17)10-20(26)23-4-6-28-7-5-23/h2-3,8,14,16,18,21,24H,4-7,9-12H2,1H3,(H,22,25)/t14-,16+,18-,21-/m1/s1" ; chebi:inchikey "YLZXNIXKCHRFQK-HRWHDRTOSA-N" ; chebi:mass "420.457" ; chebi:monoisotopicmass "420.18965" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)N4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100252" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-methoxyacetamide" . obo:CHEBI_100253 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34F3N3O4" ; chebi:inchi "InChI=1S/C24H34F3N3O4/c1-15-12-30(10-9-24(25,26)27)16(2)14-34-20-8-7-18(28-22(31)17-5-6-17)11-19(20)23(32)29(3)13-21(15)33-4/h7-8,11,15-17,21H,5-6,9-10,12-14H2,1-4H3,(H,28,31)/t15-,16+,21+/m1/s1" ; chebi:inchikey "LPOPNFSKLDAMKV-XFQAVAEZSA-N" ; chebi:mass "485.541" ; chebi:monoisotopicmass "485.25014" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100253" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_100254 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c1-22(2)13-5-6-17-15(7-13)16-8-14(25-18(11-23)20(16)26-17)9-19(24)21-10-12-3-4-12/h5-7,12,14,16,18,20,23H,3-4,8-11H2,1-2H3,(H,21,24)/t14-,16-,18-,20+/m0/s1" ; chebi:inchikey "JLJMCVQNTFDIRA-PFSLXQJOSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100254" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100255 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H32N4O5S" ; chebi:inchi "InChI=1S/C19H32N4O5S/c1-23-11-19(21-13-23)29(26,27)22-16-8-7-15(28-17(16)12-24)9-18(25)20-10-14-5-3-2-4-6-14/h11,13-17,22,24H,2-10,12H2,1H3,(H,20,25)/t15-,16-,17+/m0/s1" ; chebi:inchikey "VHNINRJVEBHVBF-YESZJQIVSA-N" ; chebi:mass "428.548" ; chebi:monoisotopicmass "428.20934" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100255" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(cyclohexylmethyl)-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_100256 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H27N3O7" ; chebi:inchi "InChI=1S/C28H27N3O7/c32-14-25-27-21(11-19(37-25)12-26(33)30-13-18-3-1-2-8-29-18)20-10-17(5-7-22(20)38-27)31-28(34)16-4-6-23-24(9-16)36-15-35-23/h1-10,19,21,25,27,32H,11-15H2,(H,30,33)(H,31,34)/t19-,21-,25+,27+/m1/s1" ; chebi:inchikey "FEEKZGTVSGSFLP-FALQBERWSA-N" ; chebi:mass "517.531" ; chebi:monoisotopicmass "517.18490" ; chebi:smiles "C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=CC=N6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100256" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100257 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C23H26N4O4" ; chebi:inchi "InChI=1S/C23H26N4O4/c28-14-15-18-13-26-17(8-6-9-19(26)29)21(20(15)23(31)25-11-4-1-5-12-25)27(18)22(30)16-7-2-3-10-24-16/h2-3,6-10,15,18,20-21,28H,1,4-5,11-14H2/t15-,18-,20+,21+/m1/s1" ; chebi:inchikey "NNGWCWYYPXSIHJ-NXXWWENFSA-N" ; chebi:mass "422.478" ; chebi:monoisotopicmass "422.19541" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3C(=O)C5=CC=CC=N5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100257" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11632" . obo:CHEBI_100258 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)30-12-10-18-5-2-1-3-6-18)22-13-20(8-9-24(22)36-27)31-28(34)19-7-4-11-29-16-19/h1-9,11,13,16,21,23,25,27,32H,10,12,14-15,17H2,(H,30,33)(H,31,34)/t21-,23-,25-,27+/m1/s1" ; chebi:inchikey "ZFEMWODPVTXMHX-UFUIAINPSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100258" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100259 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-2-11-24-21(27)25-18(12-23)20(19(25)13-26)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-20,26H,2,11,13H2,1H3,(H,24,27)/t18-,19-,20-/m1/s1" ; chebi:inchikey "NYKFFZXKZNVNOG-VAMGGRTRSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CCCNC(=O)N1[C@@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100259" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide" . obo:CHEBI_10026 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36963 . _:b36 rdf:type owl:Restriction . obo:CHEBI_10026 rdfs:subClassOf _:b36 . _:b36 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_35742 . obo:CHEBI_10026 chebi:charge "0" ; chebi:formula "C14H16N2O8" ; chebi:inchi "InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,16H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b7-3-,15-4-/t8-,10-/m0/s1" ; chebi:inchikey "POYIZOSTYKKRNT-OILNYAPZSA-N" ; chebi:mass "340.286" ; chebi:monoisotopicmass "340.09067" ; chebi:smiles "OC(=O)CC[C@H](\\N=C/C=C1C[C@H](NC(=C\\1)C(O)=O)C(O)=O)C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10026" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Vulgaxanthin-II" . obo:CHEBI_100260 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22+/m1/s1" ; chebi:inchikey "PIYRLUCWZXVSBU-JLHGSKIFSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100260" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100261 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c30-15-23-25-21(11-19(34-23)12-24(31)28-14-16-2-1-7-27-13-16)20-10-18(3-4-22(20)35-25)29-26(32)17-5-8-33-9-6-17/h1-4,7,10,13,17,19,21,23,25,30H,5-6,8-9,11-12,14-15H2,(H,28,31)(H,29,32)/t19-,21+,23+,25-/m0/s1" ; chebi:inchikey "UAPJRYKULVRBJS-VUHNXCBZSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100261" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100262 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H33N5O5" ; chebi:inchi "InChI=1S/C23H33N5O5/c1-32-19-7-3-2-6-17(19)24-22(30)25-18-9-8-16(33-20(18)15-29)10-13-28-14-21(26-27-28)23(31)11-4-5-12-23/h2-3,6-7,14,16,18,20,29,31H,4-5,8-13,15H2,1H3,(H2,24,25,30)/t16-,18-,20-/m0/s1" ; chebi:inchikey "OLUPXTRBOWIZHH-QRFRQXIXSA-N" ; chebi:mass "459.540" ; chebi:monoisotopicmass "459.24817" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCN3C=C(N=N3)C4(CCCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100262" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_100263 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-18(2)29-27(34)30-21-10-11-23-24(13-21)36-17-20(4)32(15-22-9-7-8-12-28-22)14-19(3)25(35-6)16-31(5)26(23)33/h7-13,18-20,25H,14-17H2,1-6H3,(H2,29,30,34)/t19-,20+,25+/m0/s1" ; chebi:inchikey "YDXYYDXTJISMJT-WZOHSFFVSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100263" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_100264 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H36FN3O5" ; chebi:inchi "InChI=1S/C29H36FN3O5/c1-18-15-33(27(34)13-20-5-6-20)19(2)17-38-25-14-23(31-28(35)21-7-9-22(30)10-8-21)11-12-24(25)29(36)32(3)16-26(18)37-4/h7-12,14,18-20,26H,5-6,13,15-17H2,1-4H3,(H,31,35)/t18-,19-,26+/m0/s1" ; chebi:inchikey "QTFKJTMJQVNOKY-LZJCXSABSA-N" ; chebi:mass "525.613" ; chebi:monoisotopicmass "525.26390" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100264" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide" . obo:CHEBI_100265 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C16H28N2O4" ; chebi:inchi "InChI=1S/C16H28N2O4/c1-18-8-12(19)9-21-10-15-14(18)6-5-13(22-15)7-16(20)17-11-3-2-4-11/h11-15,19H,2-10H2,1H3,(H,17,20)/t12-,13+,14-,15+/m0/s1" ; chebi:inchikey "JDRFUATZRDBDCA-LJISPDSOSA-N" ; chebi:mass "312.405" ; chebi:monoisotopicmass "312.20491" ; chebi:smiles "CN1C[C@@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)NC3CCC3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100265" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_100266 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-6-9-27-22(32)30-11-15(2)20(35-5)12-29(4)21(31)18-8-7-17(10-19(18)36-13-16(30)3)28-37(33,34)14-23(24,25)26/h7-8,10,15-16,20,28H,6,9,11-14H2,1-5H3,(H,27,32)/t15-,16+,20+/m1/s1" ; chebi:inchikey "LVUSIZZVUUASSP-GUXCAODWSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "CCCNC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100266" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_100267 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H24N2O3" ; chebi:inchi "InChI=1S/C22H24N2O3/c23-13-18-20(19(14-25)24(18)21(26)17-7-8-17)16-5-3-15(4-6-16)9-12-22(27)10-1-2-11-22/h3-6,17-20,25,27H,1-2,7-8,10-11,14H2/t18-,19-,20+/m0/s1" ; chebi:inchikey "PBPFKUQGSPUXQC-SLFFLAALSA-N" ; chebi:mass "364.438" ; chebi:monoisotopicmass "364.17869" ; chebi:smiles "C1CCC(C1)(C#CC2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)C4CC4)CO)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100267" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-3-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100268 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H28ClN5O3" ; chebi:inchi "InChI=1S/C24H28ClN5O3/c25-18-7-4-8-19(14-18)26-24(32)27-22-10-9-21(33-23(22)16-31)11-12-30-15-20(28-29-30)13-17-5-2-1-3-6-17/h1-8,14-15,21-23,31H,9-13,16H2,(H2,26,27,32)/t21-,22+,23-/m1/s1" ; chebi:inchikey "QIJBHKKZJCMHEO-XPWALMASSA-N" ; chebi:mass "469.965" ; chebi:monoisotopicmass "469.18807" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NC(=O)NC4=CC(=CC=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100268" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]urea" . obo:CHEBI_100269 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H35N3O5" ; chebi:inchi "InChI=1S/C24H35N3O5/c1-27(2)13-23(30)26-16-8-9-20-18(10-16)19-11-17(31-21(14-28)24(19)32-20)12-22(29)25-15-6-4-3-5-7-15/h8-10,15,17,19,21,24,28H,3-7,11-14H2,1-2H3,(H,25,29)(H,26,30)/t17-,19-,21-,24+/m1/s1" ; chebi:inchikey "KRQAAGOFZVBHDO-ISYUWZRGSA-N" ; chebi:mass "445.553" ; chebi:monoisotopicmass "445.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100269" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_10027 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C21H28N2O3" ; chebi:inchi "InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3" ; chebi:inchikey "NEAZMARKCJKUMF-UHFFFAOYSA-N" ; chebi:mass "356.459" ; chebi:monoisotopicmass "356.20999" ; chebi:smiles "CC1COC(=N1)c1ccc(OCCCCCCCc2cc(C)no2)cc1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10027" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "WIN I(S)" . obo:CHEBI_100270 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H39N3O5" ; chebi:inchi "InChI=1S/C25H39N3O5/c1-31-21-6-4-19(5-7-21)15-28-16-20(29)17-32-18-24-23(28)9-8-22(33-24)14-25(30)26-10-13-27-11-2-3-12-27/h4-7,20,22-24,29H,2-3,8-18H2,1H3,(H,26,30)/t20-,22+,23+,24-/m1/s1" ; chebi:inchikey "JSQZMBUYZHIIMM-AYVPJYCDSA-N" ; chebi:mass "461.595" ; chebi:monoisotopicmass "461.28897" ; chebi:smiles "COC1=CC=C(C=C1)CN2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCCN4CCCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100270" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide" . obo:CHEBI_100271 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H15FN2O3S" ; chebi:inchi "InChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(22,23)20-15(10-19)17(16(20)11-21)12-4-2-1-3-5-12/h1-9,15-17,21H,11H2/t15-,16+,17-/m1/s1" ; chebi:inchikey "LIAUQGYQVCFFMZ-IXDOHACOSA-N" ; chebi:mass "346.378" ; chebi:monoisotopicmass "346.07874" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2C#N)S(=O)(=O)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100271" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_100272 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H31FN4O4" ; chebi:inchi "InChI=1S/C25H31FN4O4/c1-15(32)30-22-19(20(14-31)23(30)24(33)27-10-5-11-28(2)3)13-29-21(22)9-8-18(25(29)34)16-6-4-7-17(26)12-16/h4,6-9,12,19-20,22-23,31H,5,10-11,13-14H2,1-3H3,(H,27,33)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "KVNOQKWAHHZEJM-YXPKMTABSA-N" ; chebi:mass "470.537" ; chebi:monoisotopicmass "470.23293" ; chebi:smiles "CC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC(=CC=C4)F)[C@H]([C@@H]1C(=O)NCCCN(C)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100272" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-acetyl-N-[3-(dimethylamino)propyl]-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100273 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H25FN4O4" ; chebi:inchi "InChI=1S/C26H25FN4O4/c1-2-28-24(33)22-18(14-32)21-13-30-20(23(22)31(21)26(35)19-5-3-4-12-29-19)11-10-17(25(30)34)15-6-8-16(27)9-7-15/h3-12,18,21-23,32H,2,13-14H2,1H3,(H,28,33)/t18-,21-,22+,23+/m1/s1" ; chebi:inchikey "SQYOPUXXKNICGN-QQUTXWOLSA-N" ; chebi:mass "476.500" ; chebi:monoisotopicmass "476.18598" ; chebi:smiles "CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]1N2C(=O)C5=CC=CC=N5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100273" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11648" . obo:CHEBI_100274 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)30-12-10-18-5-2-1-3-6-18)22-13-20(8-9-24(22)36-27)31-28(34)19-7-4-11-29-16-19/h1-9,11,13,16,21,23,25,27,32H,10,12,14-15,17H2,(H,30,33)(H,31,34)/t21-,23-,25+,27+/m0/s1" ; chebi:inchikey "ZFEMWODPVTXMHX-JZEPBHRJSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100274" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100275 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H31F3N4O4" ; chebi:inchi "InChI=1S/C25H31F3N4O4/c1-15-12-29-16(2)14-36-21-10-9-19(11-20(21)23(33)32(3)13-22(15)35-4)31-24(34)30-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,29H,12-14H2,1-4H3,(H2,30,31,34)/t15-,16-,22-/m0/s1" ; chebi:inchikey "GXRZKRPKTHFHBM-WCJKSRRJSA-N" ; chebi:mass "508.534" ; chebi:monoisotopicmass "508.22974" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100275" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_100276 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O8S" ; chebi:inchi "InChI=1S/C26H32N2O8S/c1-17-2-6-21(7-3-17)37(31,32)28-13-19(29)14-33-15-25-22(28)8-5-20(36-25)11-26(30)27-12-18-4-9-23-24(10-18)35-16-34-23/h2-4,6-7,9-10,19-20,22,25,29H,5,8,11-16H2,1H3,(H,27,30)/t19-,20-,22-,25+/m1/s1" ; chebi:inchikey "HNAQDDNENYJUKU-SMISUXHESA-N" ; chebi:mass "532.608" ; chebi:monoisotopicmass "532.18794" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100276" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_100277 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35ClN4O5" ; chebi:inchi "InChI=1S/C27H35ClN4O5/c1-6-25(33)32-14-17(2)24(36-5)15-31(4)26(34)22-12-11-21(13-23(22)37-16-18(32)3)30-27(35)29-20-9-7-19(28)8-10-20/h7-13,17-18,24H,6,14-16H2,1-5H3,(H2,29,30,35)/t17-,18+,24-/m0/s1" ; chebi:inchikey "FPIGUEAYUNMTQH-RHGYRFJNSA-N" ; chebi:mass "531.045" ; chebi:monoisotopicmass "530.22960" ; chebi:smiles "CCC(=O)N1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100277" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-chlorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100278 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H34N4O6" ; chebi:inchi "InChI=1S/C34H34N4O6/c1-21-16-28(37-44-21)33(40)36-25-12-15-30-27(17-25)34(41)38(2)29-14-13-26(43-31(29)20-42-30)18-32(39)35-19-22-8-10-24(11-9-22)23-6-4-3-5-7-23/h3-12,15-17,26,29,31H,13-14,18-20H2,1-2H3,(H,35,39)(H,36,40)/t26-,29+,31-/m1/s1" ; chebi:inchikey "COTLGVLRTBZUTQ-YHHKDRGWSA-N" ; chebi:mass "594.658" ; chebi:monoisotopicmass "594.24783" ; chebi:smiles "CC1=CC(=NO1)C(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@@H](O4)CC(=O)NCC5=CC=C(C=C5)C6=CC=CC=C6)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100278" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_100279 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-6-8-25(32)29-21-10-11-22-23(13-21)36-17-19(3)31(26(33)20-9-7-12-28-14-20)15-18(2)24(35-5)16-30(4)27(22)34/h7,9-14,18-19,24H,6,8,15-17H2,1-5H3,(H,29,32)/t18-,19+,24-/m1/s1" ; chebi:inchikey "IERCBNABLGDWRK-YDIMBITNSA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)C(=O)C3=CN=CC=C3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100279" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(3-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_10028 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C18H22N2O3" ; chebi:inchi "InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3" ; chebi:inchikey "IWZDYGHUSXWPPM-UHFFFAOYSA-N" ; chebi:mass "314.380" ; chebi:monoisotopicmass "314.16304" ; chebi:smiles "Cc1cc(CCCCCOc2ccc(cc2)C2=NCCO2)on1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10028" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "WIN VI" . obo:CHEBI_100280 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H31N3O5" ; chebi:inchi "InChI=1S/C21H31N3O5/c1-28-16-7-5-6-15(12-16)22-21(27)23-18-9-8-17(29-19(18)14-25)13-20(26)24-10-3-2-4-11-24/h5-7,12,17-19,25H,2-4,8-11,13-14H2,1H3,(H2,22,23,27)/t17-,18+,19-/m1/s1" ; chebi:inchikey "LPRUTVLBIHKZIS-CEXWTWQISA-N" ; chebi:mass "405.489" ; chebi:monoisotopicmass "405.22637" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CC(=O)N3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100280" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea" . obo:CHEBI_100281 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29ClN4O5S" ; chebi:inchi "InChI=1S/C21H29ClN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16+,20+/m1/s1" ; chebi:inchikey "FDINZZIDFRBVPX-GUXCAODWSA-N" ; chebi:mass "484.999" ; chebi:monoisotopicmass "484.15472" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100281" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_100282 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-17(2)26-24(29)25-15-14-20-10-13-22(23(16-28)33-20)27-34(30,31)21-11-8-19(9-12-21)32-18-6-4-3-5-7-18/h3-9,11-12,17,20,22-23,27-28H,10,13-16H2,1-2H3,(H2,25,26,29)/t20-,22+,23-/m1/s1" ; chebi:inchikey "URVFCIGKBRHLNA-AKIFATBCSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "CC(C)NC(=O)NCC[C@H]1CC[C@@H]([C@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100282" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea" . obo:CHEBI_100283 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C23H20FN3O6S" ; chebi:inchi "InChI=1S/C23H20FN3O6S/c24-16-3-1-2-4-19(16)34(32,33)27-18-11-26-17(21(27)20(23(30)31)15(18)12-28)6-5-14(22(26)29)13-7-9-25-10-8-13/h1-10,15,18,20-21,28H,11-12H2,(H,30,31)/t15-,18-,20+,21+/m1/s1" ; chebi:inchikey "OZRBNBICDFVIFO-NXXWWENFSA-N" ; chebi:mass "485.487" ; chebi:monoisotopicmass "485.10568" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2S(=O)(=O)C3=CC=CC=C3F)C4=CC=C(C(=O)N41)C5=CC=NC=C5)C(=O)O)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100283" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11658" . obo:CHEBI_100284 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H27N3O6" ; chebi:inchi "InChI=1S/C24H27N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-11,15,18-19,22,28H,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18-,19-,22+/m0/s1" ; chebi:inchikey "UDMIDSQAUXVXMN-SXTKRDDTSA-N" ; chebi:mass "453.489" ; chebi:monoisotopicmass "453.18999" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100284" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100285 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN2O6S2" ; chebi:inchi "InChI=1S/C21H27FN2O6S2/c22-17-6-9-19(10-7-17)32(28,29)24-20-11-8-18(30-21(20)14-25)12-13-23-31(26,27)15-16-4-2-1-3-5-16/h1-7,9-10,18,20-21,23-25H,8,11-15H2/t18-,20+,21+/m1/s1" ; chebi:inchikey "ZTKNNPSVJPUDLJ-GIVPXCGWSA-N" ; chebi:mass "486.580" ; chebi:monoisotopicmass "486.12946" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100285" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_100286 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C16H24N2O4" ; chebi:inchi "InChI=1S/C16H24N2O4/c19-9-14-13(18-16(21)10-4-5-10)7-6-12(22-14)8-15(20)17-11-2-1-3-11/h6-7,10-14,19H,1-5,8-9H2,(H,17,20)(H,18,21)/t12-,13-,14-/m0/s1" ; chebi:inchikey "RGLUKSSVDYQFDC-IHRRRGAJSA-N" ; chebi:mass "308.373" ; chebi:monoisotopicmass "308.17361" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)C3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100286" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-(cyclobutylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide" . obo:CHEBI_100287 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20+,21+,22-/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-XHCHQYRPSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100287" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11662" . obo:CHEBI_100288 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C25H18FN3O2" ; chebi:inchi "InChI=1S/C25H18FN3O2/c26-21-6-2-1-4-18(21)10-7-17-8-11-19(12-9-17)24-22(14-27)29(23(24)16-30)25(31)20-5-3-13-28-15-20/h1-6,8-9,11-13,15,22-24,30H,16H2/t22-,23+,24+/m1/s1" ; chebi:inchikey "NFTCJLSEEOPUCW-SGNDLWITSA-N" ; chebi:mass "411.429" ; chebi:monoisotopicmass "411.13830" ; chebi:smiles "C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)C(=O)C4=CN=CC=C4)CO)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100288" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile" . obo:CHEBI_100289 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H21N3O2" ; chebi:inchi "InChI=1S/C22H21N3O2/c23-13-19-21(17-10-8-16(9-11-17)15-5-1-2-6-15)20(14-26)25(19)22(27)18-7-3-4-12-24-18/h3-5,7-12,19-21,26H,1-2,6,14H2/t19-,20+,21+/m0/s1" ; chebi:inchikey "MYJKJHLNWUIKMG-PWRODBHTSA-N" ; chebi:mass "359.422" ; chebi:monoisotopicmass "359.16338" ; chebi:smiles "C1CC=C(C1)C2=CC=C(C=C2)[C@H]3[C@H](N([C@H]3C#N)C(=O)C4=CC=CC=N4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100289" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile" . obo:CHEBI_10029 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C18H20Cl2N2O3" ; chebi:inchi "InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3" ; chebi:inchikey "JJDHAOLOHQTGMG-UHFFFAOYSA-N" ; chebi:mass "383.270" ; chebi:monoisotopicmass "382.08510" ; chebi:smiles "Cc1cc(CCCCCOc2c(Cl)cc(cc2Cl)C2=NCCO2)on1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10029" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "WIN54954" . obo:CHEBI_100290 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H29ClN2O5" ; chebi:inchi "InChI=1S/C26H29ClN2O5/c27-17-5-3-16(4-6-17)13-28-24(31)12-19-11-21-20-10-18(29-25(32)9-15-1-2-15)7-8-22(20)34-26(21)23(14-30)33-19/h3-8,10,15,19,21,23,26,30H,1-2,9,11-14H2,(H,28,31)(H,29,32)/t19-,21-,23+,26+/m1/s1" ; chebi:inchikey "LDGCPXKMKGRZSF-BCHMZHATSA-N" ; chebi:mass "484.973" ; chebi:monoisotopicmass "484.17650" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100290" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_100291 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H35N3O5" ; chebi:inchi "InChI=1S/C31H35N3O5/c1-34(2)18-30(37)33-23-12-13-27-25(14-23)26-15-24(38-28(19-35)31(26)39-27)16-29(36)32-17-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-14,24,26,28,31,35H,15-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,28+,31+/m1/s1" ; chebi:inchikey "BRDKARYWUSDFKE-UCMKUVFTSA-N" ; chebi:mass "529.628" ; chebi:monoisotopicmass "529.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100291" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_100292 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H33N3O4" ; chebi:inchi "InChI=1S/C21H33N3O4/c1-6-7-20(25)23-16-8-9-17-18(10-16)28-13-15(3)22-11-14(2)19(27-5)12-24(4)21(17)26/h8-10,14-15,19,22H,6-7,11-13H2,1-5H3,(H,23,25)/t14-,15-,19+/m0/s1" ; chebi:inchikey "AZDABJQXNZGANX-YZVOILCLSA-N" ; chebi:mass "391.505" ; chebi:monoisotopicmass "391.24711" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN[C@H](CO2)C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100292" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100293 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H30N2O5" ; chebi:inchi "InChI=1S/C23H30N2O5/c26-12-20-23-18(9-16(29-20)10-21(27)24-11-14-3-4-14)17-8-15(5-6-19(17)30-23)25-22(28)7-13-1-2-13/h5-6,8,13-14,16,18,20,23,26H,1-4,7,9-12H2,(H,24,27)(H,25,28)/t16-,18-,20-,23+/m0/s1" ; chebi:inchikey "WARQVQDGSWZACN-LUFCQUEKSA-N" ; chebi:mass "414.496" ; chebi:monoisotopicmass "414.21547" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100293" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_100294 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O6S" ; chebi:inchi "InChI=1S/C24H37N3O6S/c1-16-13-27(34(5,30)31)17(2)15-33-21-12-19(25-23(28)18-8-6-7-9-18)10-11-20(21)24(29)26(3)14-22(16)32-4/h10-12,16-18,22H,6-9,13-15H2,1-5H3,(H,25,28)/t16-,17+,22-/m0/s1" ; chebi:inchikey "LHVPUDAVHZTECS-JKSBSHDWSA-N" ; chebi:mass "495.634" ; chebi:monoisotopicmass "495.24031" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100294" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_100295 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O5" ; chebi:inchi "InChI=1S/C22H29Cl2N3O5/c23-17-6-4-14(8-18(17)24)26-22(30)27-10-15(28)11-31-12-20-19(27)7-5-16(32-20)9-21(29)25-13-2-1-3-13/h4,6,8,13,15-16,19-20,28H,1-3,5,7,9-12H2,(H,25,29)(H,26,30)/t15-,16+,19-,20+/m0/s1" ; chebi:inchikey "KPSAIAGNOOFEEI-ACZWYYKOSA-N" ; chebi:mass "486.389" ; chebi:monoisotopicmass "485.14843" ; chebi:smiles "C1CC(C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)NC4=CC(=C(C=C4)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100295" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8R,10aS)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100296 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)29-16-18-7-3-1-4-8-18)22-13-20(11-12-24(22)36-27)31-28(34)30-19-9-5-2-6-10-19/h1-13,21,23,25,27,32H,14-17H2,(H,29,33)(H2,30,31,34)/t21-,23-,25+,27+/m1/s1" ; chebi:inchikey "HYQMBLXITOJPAN-RESCMLIYSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)NCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100296" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide" . obo:CHEBI_100297 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H32N2O7" ; chebi:inchi "InChI=1S/C24H32N2O7/c27-17-11-26(24(29)15-5-8-20-21(9-15)32-14-31-20)19-7-6-18(33-22(19)13-30-12-17)10-23(28)25-16-3-1-2-4-16/h5,8-9,16-19,22,27H,1-4,6-7,10-14H2,(H,25,28)/t17-,18-,19+,22-/m0/s1" ; chebi:inchikey "JZHWTQAESVMWQB-VWNVYAMZSA-N" ; chebi:mass "460.521" ; chebi:monoisotopicmass "460.22095" ; chebi:smiles "C1CCC(C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)C4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100297" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclopentylacetamide" . obo:CHEBI_100298 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H32N6O4" ; chebi:inchi "InChI=1S/C26H32N6O4/c33-13-20-19-12-31-21(8-7-18(25(31)35)16-10-27-14-28-11-16)22(19)32(26(36)30-17-3-1-2-4-17)23(20)24(34)29-9-15-5-6-15/h7-8,10-11,14-15,17,19-20,22-23,33H,1-6,9,12-13H2,(H,29,34)(H,30,36)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "KFSHNWDAJUKWQL-YXPKMTABSA-N" ; chebi:mass "492.571" ; chebi:monoisotopicmass "492.24850" ; chebi:smiles "C1CCC(C1)NC(=O)N2[C@H]3[C@H](CN4C3=CC=C(C4=O)C5=CN=CN=C5)[C@H]([C@@H]2C(=O)NCC6CC6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100298" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N1-cyclopentyl-N2-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide" . obo:CHEBI_100299 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H27FN2O5S" ; chebi:inchi "InChI=1S/C20H27FN2O5S/c21-14-6-9-17(10-7-14)29(26,27)23-18-11-8-16(28-19(18)13-24)12-20(25)22-15-4-2-1-3-5-15/h6-11,15-16,18-19,23-24H,1-5,12-13H2,(H,22,25)/t16-,18+,19+/m0/s1" ; chebi:inchikey "VZTWMEPVNSFWIB-QXAKKESOSA-N" ; chebi:mass "426.504" ; chebi:monoisotopicmass "426.16247" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100299" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-cyclohexyl-2-[(2S,3R,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_1003 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17083 ; owl:deprecated true . obo:CHEBI_100300 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N5O5S" ; chebi:inchi "InChI=1S/C22H32F3N5O5S/c1-15(19(35-5)11-29(4)36(33,34)20-12-28(3)14-26-20)10-30(16(2)13-31)21(32)27-18-8-6-17(7-9-18)22(23,24)25/h6-9,12,14-16,19,31H,10-11,13H2,1-5H3,(H,27,32)/t15-,16-,19-/m0/s1" ; chebi:inchikey "DUWNSMSZAPHBFZ-BXWFABGCSA-N" ; chebi:mass "535.582" ; chebi:monoisotopicmass "535.20762" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100300" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_100301 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-34-27-11-10-24(17-30(36)35-14-13-20-5-2-3-6-21(20)18-35)41-29(27)19-40-28-12-9-23(16-26(28)31(34)37)33-42(38,39)25-8-4-7-22(32)15-25/h2-9,12,15-16,24,27,29,33H,10-11,13-14,17-19H2,1H3/t24-,27+,29-/m1/s1" ; chebi:inchikey "ZIFILFAABSOBLR-PZFKOMAXSA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100301" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide" . obo:CHEBI_100302 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C31H30FN3O7" ; chebi:inchi "InChI=1S/C31H30FN3O7/c1-35-24-9-8-20(14-29(36)33-15-18-6-10-26-27(12-18)41-17-40-26)42-28(24)16-39-25-11-7-19(13-22(25)31(35)38)34-30(37)21-4-2-3-5-23(21)32/h2-7,10-13,20,24,28H,8-9,14-17H2,1H3,(H,33,36)(H,34,37)/t20-,24+,28+/m0/s1" ; chebi:inchikey "GPWYEVCXUJXIOI-MUXSNRJPSA-N" ; chebi:mass "575.585" ; chebi:monoisotopicmass "575.20678" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100302" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide" . obo:CHEBI_100303 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C37H46N4O4" ; chebi:inchi "InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26-,32+,33-/m0/s1" ; chebi:inchikey "UJZHWGMAKJZUOC-HUUCPIIISA-N" ; chebi:mass "610.787" ; chebi:monoisotopicmass "610.35191" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100303" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11678" . obo:CHEBI_100304 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H41N3O5" ; chebi:inchi "InChI=1S/C33H41N3O5/c1-23-20-36(17-16-25-10-7-6-8-11-25)24(2)22-41-30-15-14-27(19-29(30)33(38)35(3)21-31(23)40-5)34-32(37)26-12-9-13-28(18-26)39-4/h6-15,18-19,23-24,31H,16-17,20-22H2,1-5H3,(H,34,37)/t23-,24-,31-/m0/s1" ; chebi:inchikey "OXAYHDRNXZXDOZ-MKGJDZFWSA-N" ; chebi:mass "559.697" ; chebi:monoisotopicmass "559.30462" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100304" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100305 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33N3O6S" ; chebi:inchi "InChI=1S/C23H33N3O6S/c1-26-19-10-9-17(13-22(27)24-15-6-4-3-5-7-15)32-21(19)14-31-20-11-8-16(25-33(2,29)30)12-18(20)23(26)28/h8,11-12,15,17,19,21,25H,3-7,9-10,13-14H2,1-2H3,(H,24,27)/t17-,19+,21+/m0/s1" ; chebi:inchikey "VOOHCFNIWPJMMM-FBBABVLZSA-N" ; chebi:mass "479.592" ; chebi:monoisotopicmass "479.20901" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100305" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-cyclohexylacetamide" . obo:CHEBI_100306 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H32N2O7S" ; chebi:inchi "InChI=1S/C24H32N2O7S/c1-17(13-26(18(2)15-27)34(29,30)20-8-6-5-7-9-20)23(31-4)14-25(3)24(28)19-10-11-21-22(12-19)33-16-32-21/h5-12,17-18,23,27H,13-16H2,1-4H3/t17-,18+,23+/m0/s1" ; chebi:inchikey "ADONDIFMYIEKMI-YZZKKUAISA-N" ; chebi:mass "492.587" ; chebi:monoisotopicmass "492.19302" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100306" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100307 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H41N3O5" ; chebi:inchi "InChI=1S/C27H41N3O5/c1-18-14-30(15-20-5-6-20)19(2)17-35-24-8-7-22(28-26(31)21-9-11-34-12-10-21)13-23(24)27(32)29(3)16-25(18)33-4/h7-8,13,18-21,25H,5-6,9-12,14-17H2,1-4H3,(H,28,31)/t18-,19-,25+/m0/s1" ; chebi:inchikey "WQZORWGHLUMPIH-XHNVNVPESA-N" ; chebi:mass "487.633" ; chebi:monoisotopicmass "487.30462" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100307" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_100308 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C19H31N5O5" ; chebi:inchi "InChI=1S/C19H31N5O5/c1-12-18(13(2)29-23-12)22-19(27)21-15-7-6-14(28-16(15)11-25)10-17(26)20-8-5-9-24(3)4/h6-7,14-16,25H,5,8-11H2,1-4H3,(H,20,26)(H2,21,22,27)/t14-,15+,16-/m0/s1" ; chebi:inchikey "IXKFMJFBYVYICU-XHSDSOJGSA-N" ; chebi:mass "409.481" ; chebi:monoisotopicmass "409.23252" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100308" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2R,3R,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_100309 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O6" ; chebi:inchi "InChI=1S/C27H36N4O6/c1-18-14-31(26(33)11-20-7-6-10-28-13-20)19(2)16-37-23-9-8-21(29-25(32)17-35-4)12-22(23)27(34)30(3)15-24(18)36-5/h6-10,12-13,18-19,24H,11,14-17H2,1-5H3,(H,29,32)/t18-,19+,24-/m0/s1" ; chebi:inchikey "JHQFRDYLQMIJCM-GLDPYIMESA-N" ; chebi:mass "512.599" ; chebi:monoisotopicmass "512.26348" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100309" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10031 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_72583 ; owl:deprecated true . obo:CHEBI_100310 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H26FN3O5" ; chebi:inchi "InChI=1S/C23H26FN3O5/c1-27(2)21(29)11-16-10-18-17-9-15(7-8-19(17)32-22(18)20(12-28)31-16)26-23(30)25-14-5-3-13(24)4-6-14/h3-9,16,18,20,22,28H,10-12H2,1-2H3,(H2,25,26,30)/t16-,18-,20+,22+/m1/s1" ; chebi:inchikey "HTNOASUNFPMBNX-MDRHQERFSA-N" ; chebi:mass "443.469" ; chebi:monoisotopicmass "443.18565" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100310" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide" . obo:CHEBI_100311 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H28F2N2O5" ; chebi:inchi "InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17-,18-,19+/m0/s1" ; chebi:inchikey "LJZGTTWSAOWWCB-CADBVGFASA-N" ; chebi:mass "426.455" ; chebi:monoisotopicmass "426.19663" ; chebi:smiles "CCC(=O)N1C[C@@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100311" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_100312 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H25ClN2O7S" ; chebi:inchi "InChI=1S/C23H25ClN2O7S/c1-26-18-9-8-15(12-22(27)31-2)33-20(18)13-32-19-10-7-14(11-16(19)23(26)28)25-34(29,30)21-6-4-3-5-17(21)24/h3-7,10-11,15,18,20,25H,8-9,12-13H2,1-2H3/t15-,18+,20-/m0/s1" ; chebi:inchikey "QTFAPORQFWHYLC-CVAIRZPRSA-N" ; chebi:mass "508.974" ; chebi:monoisotopicmass "508.10710" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100312" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_100313 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H28N2O5" ; chebi:inchi "InChI=1S/C28H28N2O5/c31-19-26-25(30-28(33)21-7-3-1-4-8-21)16-15-24(35-26)17-27(32)29-18-20-11-13-23(14-12-20)34-22-9-5-2-6-10-22/h1-16,24-26,31H,17-19H2,(H,29,32)(H,30,33)/t24-,25+,26-/m1/s1" ; chebi:inchikey "KKHGDJJULHRULI-UODIDJSMSA-N" ; chebi:mass "472.533" ; chebi:monoisotopicmass "472.19982" ; chebi:smiles "C1=CC=C(C=C1)C(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100313" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_100314 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33ClN2O5S" ; chebi:inchi "InChI=1S/C29H33ClN2O5S/c1-20-16-32(21(2)18-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-37-28(20)17-31(3)38(35,36)24-14-12-23(30)13-15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21+,28+/m1/s1" ; chebi:inchikey "SHOKCNHESYLQAS-GGJMMHKRSA-N" ; chebi:mass "557.103" ; chebi:monoisotopicmass "556.17987" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100314" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11689" . obo:CHEBI_100315 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-17(2)26-24(29)25-15-14-20-10-13-22(23(16-28)33-20)27-34(30,31)21-11-8-19(9-12-21)32-18-6-4-3-5-7-18/h3-9,11-12,17,20,22-23,27-28H,10,13-16H2,1-2H3,(H2,25,26,29)/t20-,22+,23+/m0/s1" ; chebi:inchikey "URVFCIGKBRHLNA-MDNUFGMLSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "CC(C)NC(=O)NCC[C@@H]1CC[C@H]([C@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100315" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea" . obo:CHEBI_100316 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H36N4O5" ; chebi:inchi "InChI=1S/C29H36N4O5/c1-18-14-33(19(2)16-34)28(35)25-13-9-8-12-24(25)23-11-7-6-10-22(23)17-37-26(18)15-32(5)29(36)30-27-20(3)31-38-21(27)4/h6-13,18-19,26,34H,14-17H2,1-5H3,(H,30,36)/t18-,19+,26+/m0/s1" ; chebi:inchikey "SNXQORXMPHKSCQ-GNBJCERTSA-N" ; chebi:mass "520.621" ; chebi:monoisotopicmass "520.26857" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=C(ON=C4C)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100316" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11691" . obo:CHEBI_100317 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H37N5O4" ; chebi:inchi "InChI=1S/C22H37N5O4/c28-16-21-19(23-22(29)15-26-10-12-30-13-11-26)7-6-18(31-21)8-9-27-14-20(24-25-27)17-4-2-1-3-5-17/h14,17-19,21,28H,1-13,15-16H2,(H,23,29)/t18-,19-,21-/m1/s1" ; chebi:inchikey "ASLPZONUTGKWLH-SFHLNBCPSA-N" ; chebi:mass "435.561" ; chebi:monoisotopicmass "435.28455" ; chebi:smiles "C1CCC(CC1)C2=CN(N=N2)CC[C@H]3CC[C@H]([C@H](O3)CO)NC(=O)CN4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100317" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide" . obo:CHEBI_100318 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H38N4O6" ; chebi:inchi "InChI=1S/C34H38N4O6/c1-21-16-38(22(2)18-39)33(40)32-31(26-11-7-8-12-27(26)37(32)4)25-10-6-5-9-23(25)19-42-30(21)17-36(3)34(41)35-24-13-14-28-29(15-24)44-20-43-28/h5-15,21-22,30,39H,16-20H2,1-4H3,(H,35,41)/t21-,22-,30-/m0/s1" ; chebi:inchikey "KFLLAZWDLYDTFJ-PWWNZBMUSA-N" ; chebi:mass "598.690" ; chebi:monoisotopicmass "598.27913" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100318" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11693" . obo:CHEBI_100319 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H33N3O5" ; chebi:inchi "InChI=1S/C23H33N3O5/c1-25(2)13-21(28)24-15-6-7-19-17(10-15)18-11-16(30-20(14-27)23(18)31-19)12-22(29)26-8-4-3-5-9-26/h6-7,10,16,18,20,23,27H,3-5,8-9,11-14H2,1-2H3,(H,24,28)/t16-,18+,20-,23-/m1/s1" ; chebi:inchikey "MRLAOALNSBFOMY-RWSUSOHTSA-N" ; chebi:mass "431.526" ; chebi:monoisotopicmass "431.24202" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)N4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100319" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide" . obo:CHEBI_10032 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26878 ; chebi:charge "0" ; chebi:formula "C15H22O3" ; chebi:inchi "InChI=1S/C15H22O3/c1-13(2)7-4-8-14(3)12(13)6-5-11(9-16)15(14,18)10-17/h5,9-10,12,18H,4,6-8H2,1-3H3/t12-,14-,15+/m0/s1" ; chebi:inchikey "QGMWDUUHVVLHNP-AEGPPILISA-N" ; chebi:mass "250.334" ; chebi:monoisotopicmass "250.15689" ; chebi:smiles "CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@]2(O)C=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10032" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Warburganal" . obo:CHEBI_100320 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20-,21-,22-/m0/s1" ; chebi:inchikey "XYLRKRISJMFHFX-VJMBVAOUSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100320" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11695" . obo:CHEBI_100321 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26N4O5S" ; chebi:inchi "InChI=1S/C20H26N4O5S/c1-14-3-2-4-16(11-14)30(27,28)24-17-6-5-15(29-19(17)13-25)7-8-23-20(26)18-12-21-9-10-22-18/h2-4,9-12,15,17,19,24-25H,5-8,13H2,1H3,(H,23,26)/t15-,17-,19-/m0/s1" ; chebi:inchikey "LUVVHBIYDBULDN-IEZWGBDMSA-N" ; chebi:mass "434.511" ; chebi:monoisotopicmass "434.16239" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCNC(=O)C3=NC=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100321" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_100322 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H33FN2O5S" ; chebi:inchi "InChI=1S/C24H33FN2O5S/c1-17-10-12-20(13-11-17)33(30,31)27(19(3)16-28)14-18(2)23(32-5)15-26(4)24(29)21-8-6-7-9-22(21)25/h6-13,18-19,23,28H,14-16H2,1-5H3/t18-,19-,23+/m1/s1" ; chebi:inchikey "NDGBDPWBOPYDPZ-PWHSHALESA-N" ; chebi:mass "480.595" ; chebi:monoisotopicmass "480.20942" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100322" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2R,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_100323 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O5" ; chebi:inchi "InChI=1S/C30H38ClN5O5/c1-35-25-11-10-23(18-28(37)32-13-16-36-14-3-2-4-15-36)41-27(25)19-40-26-12-9-22(17-24(26)29(35)38)34-30(39)33-21-7-5-20(31)6-8-21/h5-9,12,17,23,25,27H,2-4,10-11,13-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t23-,25-,27-/m1/s1" ; chebi:inchikey "XIGYLWQKLZSYNZ-DFZDUAMZSA-N" ; chebi:mass "584.107" ; chebi:monoisotopicmass "583.25615" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100323" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100324 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClF2N2O4S" ; chebi:inchi "InChI=1S/C23H31ClF2N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17+,23-/m0/s1" ; chebi:inchikey "UIWWHFNWICLZIF-MFEFFIJZSA-N" ; chebi:mass "505.020" ; chebi:monoisotopicmass "504.16611" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100324" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_100325 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c1-15-9-16(2)11-18(10-15)28-26(32)27-17-5-8-22-20(12-17)25(31)29(3)21-7-6-19(13-24(30)33-4)35-23(21)14-34-22/h5,8-12,19,21,23H,6-7,13-14H2,1-4H3,(H2,27,28,32)/t19-,21-,23-/m1/s1" ; chebi:inchikey "ANPNCKARMDTJMY-KJXAQDMKSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@@H](O4)CC(=O)OC)N(C3=O)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100325" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_100326 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H15FN2O" ; chebi:inchi "InChI=1S/C19H15FN2O/c20-16-4-2-1-3-14(16)8-5-13-6-9-15(10-7-13)19-17(11-21)22-18(19)12-23/h1-4,6-7,9-10,17-19,22-23H,12H2/t17-,18+,19-/m1/s1" ; chebi:inchikey "BQRBXGWYUGGWQF-CEXWTWQISA-N" ; chebi:mass "306.334" ; chebi:monoisotopicmass "306.11684" ; chebi:smiles "C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N[C@@H]3C#N)CO)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100326" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100327 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29ClN2O7S" ; chebi:inchi "InChI=1S/C28H29ClN2O7S/c1-36-20-3-2-4-22(12-20)39(34,35)31-19-9-10-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-5-7-18(29)8-6-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24-,26+,28+/m1/s1" ; chebi:inchikey "XHFXJTPXFPIUNX-DZXBDMBVSA-N" ; chebi:mass "573.059" ; chebi:monoisotopicmass "572.13840" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100327" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100328 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H36N2O5" ; chebi:inchi "InChI=1S/C21H36N2O5/c24-17-12-23(11-16-5-7-26-8-6-16)19-4-3-18(28-20(19)14-27-13-17)9-21(25)22-10-15-1-2-15/h15-20,24H,1-14H2,(H,22,25)/t17-,18-,19+,20-/m1/s1" ; chebi:inchikey "NCINSYYDRJCYKJ-YSTOQKLRSA-N" ; chebi:mass "396.522" ; chebi:monoisotopicmass "396.26242" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3CCOCC3)O)O[C@H]1CC(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100328" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100329 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35F2N3O5" ; chebi:inchi "InChI=1S/C27H35F2N3O5/c1-17-12-32(13-19-10-20(28)6-8-23(19)29)18(2)15-37-24-9-7-21(30-26(33)16-35-4)11-22(24)27(34)31(3)14-25(17)36-5/h6-11,17-18,25H,12-16H2,1-5H3,(H,30,33)/t17-,18+,25+/m0/s1" ; chebi:inchikey "ZVOSTPFCAQQCID-YYULODDRSA-N" ; chebi:mass "519.582" ; chebi:monoisotopicmass "519.25448" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=C(C=CC(=C3)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100329" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_10033 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_60911 . _:b37 rdf:type owl:Restriction . obo:CHEBI_10033 rdfs:subClassOf _:b37 . _:b37 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_87737 . _:b38 rdf:type owl:Restriction . obo:CHEBI_10033 rdfs:subClassOf _:b38 . _:b38 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_87738 . _:b39 rdf:type owl:Restriction . obo:CHEBI_10033 rdfs:subClassOf _:b39 . _:b39 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33288 . _:b40 rdf:type owl:Restriction . obo:CHEBI_10033 rdfs:subClassOf _:b40 . _:b40 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50249 . _:b41 rdf:type owl:Restriction . obo:CHEBI_10033 rdfs:subClassOf _:b41 . _:b41 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50390 . _:b42 rdf:type owl:Restriction . obo:CHEBI_10033 rdfs:subClassOf _:b42 . _:b42 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_55347 . _:b43 rdf:type owl:Restriction . obo:CHEBI_10033 rdfs:subClassOf _:b43 . _:b43 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_50393 . obo:CHEBI_10033 obo:IAO_0000115 "A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice." ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10033" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "warfarin" . obo:CHEBI_100330 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O7" ; chebi:inchi "InChI=1S/C28H34N2O7/c1-34-23-5-3-2-4-18(23)15-29-26(32)14-20-13-22-21-12-19(30-28(33)17-8-10-35-11-9-17)6-7-24(21)37-27(22)25(16-31)36-20/h2-7,12,17,20,22,25,27,31H,8-11,13-16H2,1H3,(H,29,32)(H,30,33)/t20-,22+,25-,27-/m1/s1" ; chebi:inchikey "FSAONXZLMNAVLZ-IIKILRQQSA-N" ; chebi:mass "510.580" ; chebi:monoisotopicmass "510.23660" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100330" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100331 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C29H32ClN5O6" ; chebi:inchi "InChI=1S/C29H32ClN5O6/c1-16-27(17(2)41-34-16)33-29(38)32-20-8-11-24-22(12-20)28(37)35(3)23-10-9-21(40-25(23)15-39-24)13-26(36)31-14-18-4-6-19(30)7-5-18/h4-8,11-12,21,23,25H,9-10,13-15H2,1-3H3,(H,31,36)(H2,32,33,38)/t21-,23-,25+/m1/s1" ; chebi:inchikey "VDMGESCZGFUZFC-PFATUAPWSA-N" ; chebi:mass "582.048" ; chebi:monoisotopicmass "581.20411" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)NCC5=CC=C(C=C5)Cl)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100331" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100332 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-15-12-25(3)16(2)14-30-20-10-9-18(24-22(27)17-7-6-8-17)11-19(20)23(28)26(4)13-21(15)29-5/h9-11,15-17,21H,6-8,12-14H2,1-5H3,(H,24,27)/t15-,16-,21-/m1/s1" ; chebi:inchikey "IMTXHMNNEPVREU-WHSLLNHNSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100332" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_100333 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H31ClN2O7S" ; chebi:inchi "InChI=1S/C24H31ClN2O7S/c1-16(12-27(17(2)14-28)35(30,31)20-8-6-19(25)7-9-20)23(32-4)13-26(3)24(29)18-5-10-21-22(11-18)34-15-33-21/h5-11,16-17,23,28H,12-15H2,1-4H3/t16-,17+,23+/m1/s1" ; chebi:inchikey "KWUJCNXGEDOTIS-DGGJZMOXSA-N" ; chebi:mass "527.032" ; chebi:monoisotopicmass "526.15405" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100333" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100334 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21-,23+,25+,27-/m1/s1" ; chebi:inchikey "ISBRQPNQXSURAN-CBYRCLPRSA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100334" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100335 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C17H32N2O5S" ; chebi:inchi "InChI=1S/C17H32N2O5S/c1-2-25(22,23)18-11-10-14-8-9-15(16(12-20)24-14)19-17(21)13-6-4-3-5-7-13/h13-16,18,20H,2-12H2,1H3,(H,19,21)/t14-,15-,16+/m1/s1" ; chebi:inchikey "NFMKQITUWMOCLJ-OAGGEKHMSA-N" ; chebi:mass "376.513" ; chebi:monoisotopicmass "376.20319" ; chebi:smiles "CCS(=O)(=O)NCC[C@H]1CC[C@H]([C@@H](O1)CO)NC(=O)C2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100335" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]cyclohexanecarboxamide" . obo:CHEBI_100336 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H27F3N4O5" ; chebi:inchi "InChI=1S/C28H27F3N4O5/c29-28(30,31)17-3-5-18(6-4-17)34-27(38)35-19-7-8-23-21(10-19)22-11-20(39-24(15-36)26(22)40-23)12-25(37)33-14-16-2-1-9-32-13-16/h1-10,13,20,22,24,26,36H,11-12,14-15H2,(H,33,37)(H2,34,35,38)/t20-,22-,24-,26+/m0/s1" ; chebi:inchikey "IMICHJYMUCZKDW-IFPZXYOKSA-N" ; chebi:mass "556.534" ; chebi:monoisotopicmass "556.19335" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100336" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_100337 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37N3O5" ; chebi:inchi "InChI=1S/C27H37N3O5/c1-18-14-30(15-21-9-7-8-10-24(21)33-5)19(2)17-35-25-12-11-22(28-20(3)31)13-23(25)27(32)29(4)16-26(18)34-6/h7-13,18-19,26H,14-17H2,1-6H3,(H,28,31)/t18-,19+,26-/m0/s1" ; chebi:inchikey "ZMJDYVBEASXUEV-ANSQWYIGSA-N" ; chebi:mass "483.601" ; chebi:monoisotopicmass "483.27332" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100337" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_100338 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-10-9-20(27-24(30)18-7-6-8-19(26)11-18)12-21(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17-,23+/m1/s1" ; chebi:inchikey "CFNBOAHXJHVCOD-QZMQVMSPSA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100338" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100339 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H33FN4O7S" ; chebi:inchi "InChI=1S/C28H33FN4O7S/c1-17-14-33(41(36,37)22-9-6-20(29)7-10-22)18(2)16-39-25-13-21(30-27(34)24-12-19(3)40-31-24)8-11-23(25)28(35)32(4)15-26(17)38-5/h6-13,17-18,26H,14-16H2,1-5H3,(H,30,34)/t17-,18-,26-/m1/s1" ; chebi:inchikey "YFDKGQSBBJTRGV-UYPAYLBCSA-N" ; chebi:mass "588.650" ; chebi:monoisotopicmass "588.20540" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100339" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-(4-fluorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_10034 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_60911 . _:b44 rdf:type owl:Restriction . obo:CHEBI_10034 rdfs:subClassOf _:b44 . _:b44 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_50393 . _:b45 rdf:type owl:Restriction . obo:CHEBI_10034 rdfs:subClassOf _:b45 . _:b45 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_87739 . _:b46 rdf:type owl:Restriction . obo:CHEBI_10034 rdfs:subClassOf _:b46 . _:b46 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_87740 . _:b47 rdf:type owl:Restriction . obo:CHEBI_10034 rdfs:subClassOf _:b47 . _:b47 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33288 . _:b48 rdf:type owl:Restriction . obo:CHEBI_10034 rdfs:subClassOf _:b48 . _:b48 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50249 . _:b49 rdf:type owl:Restriction . obo:CHEBI_10034 rdfs:subClassOf _:b49 . _:b49 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50390 . _:b50 rdf:type owl:Restriction . obo:CHEBI_10034 rdfs:subClassOf _:b50 . _:b50 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_55347 . obo:CHEBI_10034 obo:IAO_0000115 "A racemate comprising equal amounts of (R)- and (S)-warfarin sodium. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice." ; chebi:charge "0" ; chebi:formula "C19H15NaO4" ; chebi:mass "330.310" ; chebi:monoisotopicmass "330.08680" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10034" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "warfarin sodium" . obo:CHEBI_100340 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C30H34N4O3" ; chebi:inchi "InChI=1S/C30H34N4O3/c1-32-26-18-34-25(8-7-23(29(34)36)22-9-13-31-14-10-22)28(32)27(24(26)19-35)30(37)33-15-11-21(12-16-33)17-20-5-3-2-4-6-20/h2-10,13-14,21,24,26-28,35H,11-12,15-19H2,1H3/t24-,26-,27+,28+/m0/s1" ; chebi:inchikey "QUSLSSXBBMTUKA-GDWZEYGFSA-N" ; chebi:mass "498.617" ; chebi:monoisotopicmass "498.26309" ; chebi:smiles "CN1[C@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)N5CCC(CC5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100340" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11715" . obo:CHEBI_100341 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C27H27FN4O4" ; chebi:inchi "InChI=1S/C27H27FN4O4/c1-2-11-30-25(34)24-20(15-33)19-14-31-22(10-9-17(26(31)35)16-6-5-12-29-13-16)23(19)32(24)27(36)18-7-3-4-8-21(18)28/h3-10,12-13,19-20,23-24,33H,2,11,14-15H2,1H3,(H,30,34)/t19-,20-,23+,24-/m1/s1" ; chebi:inchikey "LVLNEDZJLRSBBP-MYSJAJEPSA-N" ; chebi:mass "490.527" ; chebi:monoisotopicmass "490.20163" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@H]2N1C(=O)C5=CC=CC=C5F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100341" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[(2-fluorophenyl)-oxomethyl]-3-(hydroxymethyl)-6-oxo-N-propyl-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100342 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H36FN3O5" ; chebi:inchi "InChI=1S/C29H36FN3O5/c1-18-15-33(27(34)13-20-5-6-20)19(2)17-38-25-14-23(31-28(35)21-7-9-22(30)10-8-21)11-12-24(25)29(36)32(3)16-26(18)37-4/h7-12,14,18-20,26H,5-6,13,15-17H2,1-4H3,(H,31,35)/t18-,19+,26-/m0/s1" ; chebi:inchikey "QTFKJTMJQVNOKY-ANSQWYIGSA-N" ; chebi:mass "525.613" ; chebi:monoisotopicmass "525.26390" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100342" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide" . obo:CHEBI_100343 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39447 ; chebi:charge "0" ; chebi:formula "C23H20N4O2" ; chebi:inchi "InChI=1S/C23H20N4O2/c24-11-20-23(18-8-6-17(7-9-18)19-12-25-15-26-13-19)21(14-28)27(20)22(29)10-16-4-2-1-3-5-16/h1-9,12-13,15,20-21,23,28H,10,14H2/t20-,21+,23+/m1/s1" ; chebi:inchikey "OPKRCVVELWLOIA-GIWBLDEGSA-N" ; chebi:mass "384.431" ; chebi:monoisotopicmass "384.15863" ; chebi:smiles "C1=CC=C(C=C1)CC(=O)N2[C@H]([C@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CN=CN=C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100343" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-4-(hydroxymethyl)-1-(1-oxo-2-phenylethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_100344 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C30H41N5O3S" ; chebi:inchi "InChI=1S/C30H41N5O3S/c1-30(2,3)39(38)35-21-24-20-25(29(37)34-16-14-33(6)15-17-34)31-28(27(24)26(35)12-18-36)23-11-7-9-22(19-23)10-8-13-32(4)5/h7,9,11,19-20,26,36H,12-18,21H2,1-6H3/t26-,39?/m1/s1" ; chebi:inchikey "QCNBEPOSGGBTKG-ZFPLWWAGSA-N" ; chebi:mass "551.745" ; chebi:monoisotopicmass "551.29301" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C#CCN(C)C)C(=O)N4CCN(CC4)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100344" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_100345 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H41N3O5" ; chebi:inchi "InChI=1S/C28H41N3O5/c1-18-15-31(26(32)13-20-9-10-20)19(2)17-36-24-14-22(29-27(33)21-7-5-6-8-21)11-12-23(24)28(34)30(3)16-25(18)35-4/h11-12,14,18-21,25H,5-10,13,15-17H2,1-4H3,(H,29,33)/t18-,19+,25-/m0/s1" ; chebi:inchikey "MFGGAADVNSTJDM-CEYNDMKZSA-N" ; chebi:mass "499.643" ; chebi:monoisotopicmass "499.30462" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100345" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_100346 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-17-14-26-18(2)16-32-22-11-10-20(27-24(29)12-19-8-6-5-7-9-19)13-21(22)25(30)28(3)15-23(17)31-4/h5-11,13,17-18,23,26H,12,14-16H2,1-4H3,(H,27,29)/t17-,18-,23+/m1/s1" ; chebi:inchikey "RIFMDYVXBSMSIP-PNCHPQGNSA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100346" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_100347 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H33N3O5" ; chebi:inchi "InChI=1S/C23H33N3O5/c1-25(2)13-21(28)24-15-6-7-19-17(10-15)18-11-16(30-20(14-27)23(18)31-19)12-22(29)26-8-4-3-5-9-26/h6-7,10,16,18,20,23,27H,3-5,8-9,11-14H2,1-2H3,(H,24,28)/t16-,18-,20+,23+/m0/s1" ; chebi:inchikey "MRLAOALNSBFOMY-VSCJKUSUSA-N" ; chebi:mass "431.526" ; chebi:monoisotopicmass "431.24202" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)N4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100347" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide" . obo:CHEBI_100348 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H21F3N2O6" ; chebi:inchi "InChI=1S/C22H21F3N2O6/c23-22(24,25)11-1-3-12(4-2-11)26-21(31)27-13-5-6-17-15(7-13)16-8-14(9-19(29)30)32-18(10-28)20(16)33-17/h1-7,14,16,18,20,28H,8-10H2,(H,29,30)(H2,26,27,31)/t14-,16+,18-,20-/m1/s1" ; chebi:inchikey "RRHNJWQDAKAZMZ-IHMNZUQTSA-N" ; chebi:mass "466.408" ; chebi:monoisotopicmass "466.13517" ; chebi:smiles "C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100348" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_100349 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C19H26N2O6" ; chebi:inchi "InChI=1S/C19H26N2O6/c22-13-8-20-15-3-2-14(27-18(15)10-24-9-13)6-19(23)21-7-12-1-4-16-17(5-12)26-11-25-16/h1,4-5,13-15,18,20,22H,2-3,6-11H2,(H,21,23)/t13-,14+,15+,18-/m1/s1" ; chebi:inchikey "YFRMSEXFMHDWES-LDDOYCOJSA-N" ; chebi:mass "378.420" ; chebi:monoisotopicmass "378.17909" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)NCC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100349" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_10035 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17675 ; owl:deprecated true . obo:CHEBI_100350 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H24ClN3O5S" ; chebi:inchi "InChI=1S/C20H24ClN3O5S/c21-14-4-7-16(8-5-14)30(27,28)23-12-10-15-6-9-17(19(13-25)29-15)24-20(26)18-3-1-2-11-22-18/h1-5,7-8,11,15,17,19,23,25H,6,9-10,12-13H2,(H,24,26)/t15-,17+,19+/m0/s1" ; chebi:inchikey "VBSGUKREVIUPDG-KVSKMBFKSA-N" ; chebi:mass "453.941" ; chebi:monoisotopicmass "453.11252" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100350" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_100351 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H25F2N5O3" ; chebi:inchi "InChI=1S/C20H25F2N5O3/c21-13-3-5-15(22)17(9-13)24-20(29)23-16-6-4-14(30-19(16)11-28)7-8-27-10-18(25-26-27)12-1-2-12/h3,5,9-10,12,14,16,19,28H,1-2,4,6-8,11H2,(H2,23,24,29)/t14-,16+,19+/m1/s1" ; chebi:inchikey "HBSXUOUHADHDTK-ALKREAHSSA-N" ; chebi:mass "421.442" ; chebi:monoisotopicmass "421.19255" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCN2C=C(N=N2)C3CC3)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100351" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea" . obo:CHEBI_100352 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C24H20FN3O5" ; chebi:inchi "InChI=1S/C24H20FN3O5/c25-17-6-2-1-5-14(17)15-7-8-18-21-20(24(32)33)16(12-29)19(11-27(18)23(15)31)28(21)22(30)13-4-3-9-26-10-13/h1-10,16,19-21,29H,11-12H2,(H,32,33)/t16-,19-,20+,21+/m0/s1" ; chebi:inchikey "UZVKIEFCDOWORH-VRXWPRPYSA-N" ; chebi:mass "449.432" ; chebi:monoisotopicmass "449.13870" ; chebi:smiles "C1[C@H]2[C@@H]([C@H]([C@H](N2C(=O)C3=CN=CC=C3)C4=CC=C(C(=O)N41)C5=CC=CC=C5F)C(=O)O)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100352" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11727" . obo:CHEBI_100353 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C15H21F3N2O4" ; chebi:inchi "InChI=1S/C15H21F3N2O4/c16-15(17,18)8-19-13(22)6-10-3-4-11(12(7-21)24-10)20-14(23)5-9-1-2-9/h3-4,9-12,21H,1-2,5-8H2,(H,19,22)(H,20,23)/t10-,11-,12-/m1/s1" ; chebi:inchikey "QQIOQVYYWJVUEN-IJLUTSLNSA-N" ; chebi:mass "350.334" ; chebi:monoisotopicmass "350.14534" ; chebi:smiles "C1CC1CC(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100353" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-cyclopropyl-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide" . obo:CHEBI_100354 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O6" ; chebi:inchi "InChI=1S/C19H32N2O6/c1-2-20-18(23)9-15-3-4-16-17(27-15)12-26-11-14(22)10-21(16)19(24)13-5-7-25-8-6-13/h13-17,22H,2-12H2,1H3,(H,20,23)/t14-,15+,16+,17-/m0/s1" ; chebi:inchikey "MWTQFHHONBVRQP-HZMVEIRTSA-N" ; chebi:mass "384.468" ; chebi:monoisotopicmass "384.22604" ; chebi:smiles "CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2C(=O)C3CCOCC3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100354" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[4-oxanyl(oxo)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_100355 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C20H18N2O2" ; chebi:inchi "InChI=1S/C20H18N2O2/c1-24-17-4-2-3-15(11-17)6-5-14-7-9-16(10-8-14)20-18(12-21)22-19(20)13-23/h2-4,7-11,18-20,22-23H,13H2,1H3/t18-,19-,20+/m1/s1" ; chebi:inchikey "XRGAKVKGJSFEJA-AQNXPRMDSA-N" ; chebi:mass "318.370" ; chebi:monoisotopicmass "318.13683" ; chebi:smiles "COC1=CC=CC(=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@H](N[C@@H]3C#N)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100355" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_100356 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24-,25+,31+/m1/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-CYOUBLJMSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100356" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11731" . obo:CHEBI_100357 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C36H41N5O3S" ; chebi:inchi "InChI=1S/C36H41N5O3S/c1-36(2,3)45(44)41-23-29-20-31(35(43)38-30-14-17-40(24-30)22-25-9-5-4-6-10-25)39-34(33(29)32(41)15-18-42)27-12-7-11-26(19-27)28-13-8-16-37-21-28/h4-13,16,19-21,30,32,42H,14-15,17-18,22-24H2,1-3H3,(H,38,43)/t30-,32-,45-/m1/s1" ; chebi:inchikey "OXCAKDYULKMTMJ-PFFFZIHFSA-N" ; chebi:mass "623.810" ; chebi:monoisotopicmass "623.29301" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100357" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100358 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H21FN2O3" ; chebi:inchi "InChI=1S/C15H21FN2O3/c16-12-4-2-1-3-11(12)15(20)18-13-6-5-10(7-8-17)21-14(13)9-19/h1-4,10,13-14,19H,5-9,17H2,(H,18,20)/t10-,13+,14+/m1/s1" ; chebi:inchikey "DUQQDWAUZUWJHX-SWHYSGLUSA-N" ; chebi:mass "296.338" ; chebi:monoisotopicmass "296.15362" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCN)CO)NC(=O)C2=CC=CC=C2F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100358" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide" . obo:CHEBI_100359 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H32FN3O3S" ; chebi:inchi "InChI=1S/C28H32FN3O3S/c1-5-30-27(34)23-16-21-17-32(36(35)28(2,3)4)24(12-13-33)25(21)26(31-23)20-10-6-8-18(14-20)19-9-7-11-22(29)15-19/h6-11,14-16,24,33H,5,12-13,17H2,1-4H3,(H,30,34)/t24-,36-/m1/s1" ; chebi:inchikey "NQAKFRRPCXCRFS-GPJMPKJXSA-N" ; chebi:mass "509.638" ; chebi:monoisotopicmass "509.21484" ; chebi:smiles "CCNC(=O)C1=NC(=C2[C@H](N(CC2=C1)[S@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100359" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-N-ethyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10036 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35748 ; rdfs:subClassOf obo:CHEBI_73702 . _:b51 rdf:type owl:Restriction . obo:CHEBI_10036 rdfs:subClassOf _:b51 . _:b51 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_24026 . _:b52 rdf:type owl:Restriction . obo:CHEBI_10036 rdfs:subClassOf _:b52 . _:b52 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_35366 . obo:CHEBI_10036 obo:IAO_0000115 "A fatty acid ester resulting from the condensation of the carboxy group of a fatty acid with the alcoholic hydroxy group of a fatty alcohol." ; chebi:charge "0" ; chebi:formula "CO2R2" ; chebi:mass "44.010" ; chebi:monoisotopicmass "43.98983" ; chebi:smiles "[*]OC([*])=O" ; oboInOwl:hasAlternativeId "CHEBI:13221" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10036" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "wax ester" . obo:CHEBI_100360 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37FN4O5" ; chebi:inchi "InChI=1S/C28H37FN4O5/c1-6-13-30-28(36)31-20-11-12-24-22(14-20)26(34)32(4)16-25(37-5)18(2)15-33(19(3)17-38-24)27(35)21-9-7-8-10-23(21)29/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H2,30,31,36)/t18-,19-,25-/m1/s1" ; chebi:inchikey "IESMZGXEKVWDTA-MPCDZSKCSA-N" ; chebi:mass "528.617" ; chebi:monoisotopicmass "528.27480" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=C3F)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100360" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_100361 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H38N4O3" ; chebi:inchi "InChI=1S/C32H38N4O3/c1-22-17-36(23(2)20-37)32(38)31-30(27-13-7-8-14-28(27)35(31)4)26-12-6-5-11-25(26)21-39-29(22)19-34(3)18-24-10-9-15-33-16-24/h5-16,22-23,29,37H,17-21H2,1-4H3/t22-,23-,29-/m1/s1" ; chebi:inchikey "RPGWXCDGQSLPTH-VDWGHMIBSA-N" ; chebi:mass "526.670" ; chebi:monoisotopicmass "526.29439" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CN=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100361" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11736" . obo:CHEBI_100362 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34N4O7" ; chebi:inchi "InChI=1S/C27H34N4O7/c1-16-12-31(18(3)32)17(2)14-36-22-8-6-19(10-21(22)26(33)30(4)13-25(16)35-5)28-27(34)29-20-7-9-23-24(11-20)38-15-37-23/h6-11,16-17,25H,12-15H2,1-5H3,(H2,28,29,34)/t16-,17-,25-/m1/s1" ; chebi:inchikey "GAXPUQOVFGRPKG-RYUVBPIJSA-N" ; chebi:mass "526.583" ; chebi:monoisotopicmass "526.24275" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100362" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(1,3-benzodioxol-5-yl)urea" . obo:CHEBI_100363 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H34N2O6S" ; chebi:inchi "InChI=1S/C30H34N2O6S/c1-21-6-5-9-27(16-21)39(35,36)32-18-25(33)19-37-20-29-28(32)15-14-26(38-29)17-30(34)31-24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-13,16,25-26,28-29,33H,14-15,17-20H2,1H3,(H,31,34)/t25-,26-,28-,29+/m1/s1" ; chebi:inchikey "LOPBZILAZMWERO-HTCHUFIESA-N" ; chebi:mass "550.668" ; chebi:monoisotopicmass "550.21376" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100363" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_100364 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C24H27F3N4O4" ; chebi:inchi "InChI=1S/C24H27F3N4O4/c1-29(2)22(34)14-6-4-5-13(9-14)15-7-8-17-20-19(21(33)28-12-24(25,26)27)16(11-32)18(30(20)3)10-31(17)23(15)35/h4-9,16,18-20,32H,10-12H2,1-3H3,(H,28,33)/t16-,18-,19+,20+/m0/s1" ; chebi:inchikey "KOJKRQVKKNDDMT-IJXRJRJASA-N" ; chebi:mass "492.492" ; chebi:monoisotopicmass "492.19844" ; chebi:smiles "CN1[C@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)C(=O)N(C)C)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100364" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11739" . obo:CHEBI_100365 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H26FN3O3" ; chebi:inchi "InChI=1S/C27H26FN3O3/c28-22-8-4-3-7-18(22)19-9-10-23-24-20(14-31(23)26(19)33)21(15-32)25(29-24)27(34)30-12-11-16-5-1-2-6-17(16)13-30/h1-10,20-21,24-25,29,32H,11-15H2/t20-,21-,24+,25-/m0/s1" ; chebi:inchikey "FZFLVCQZKXFTSN-MHOPESGUSA-N" ; chebi:mass "459.513" ; chebi:monoisotopicmass "459.19582" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)[C@@H]3[C@H]([C@@H]4CN5C(=CC=C(C5=O)C6=CC=CC=C6F)[C@@H]4N3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100365" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7-(2-fluorophenyl)-3-(hydroxymethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_100366 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H26N2O7S" ; chebi:inchi "InChI=1S/C23H26N2O7S/c1-14-5-3-4-6-21(14)33(29,30)24-15-7-10-19-17(11-15)23(28)25(2)18-9-8-16(12-22(26)27)32-20(18)13-31-19/h3-7,10-11,16,18,20,24H,8-9,12-13H2,1-2H3,(H,26,27)/t16-,18-,20-/m1/s1" ; chebi:inchikey "RXPZKEATMSRBBD-YVWKXTFCSA-N" ; chebi:mass "474.529" ; chebi:monoisotopicmass "474.14607" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@@H](O4)CC(=O)O)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100366" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_100367 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O5" ; chebi:inchi "InChI=1S/C20H28N2O5/c1-21(2)13-3-4-17-15(9-13)16-10-14(26-18(12-23)20(16)27-17)11-19(24)22-5-7-25-8-6-22/h3-4,9,14,16,18,20,23H,5-8,10-12H2,1-2H3/t14-,16-,18-,20+/m0/s1" ; chebi:inchikey "DDTRWXBYMDYHEQ-PFSLXQJOSA-N" ; chebi:mass "376.447" ; chebi:monoisotopicmass "376.19982" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)N4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100367" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(4-morpholinyl)ethanone" . obo:CHEBI_100368 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29ClN2O7S" ; chebi:inchi "InChI=1S/C28H29ClN2O7S/c1-36-20-3-2-4-22(12-20)39(34,35)31-19-9-10-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-5-7-18(29)8-6-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24+,26+,28-/m1/s1" ; chebi:inchikey "XHFXJTPXFPIUNX-HWMSKCLUSA-N" ; chebi:mass "573.059" ; chebi:monoisotopicmass "572.13840" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100368" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100369 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H45N3O4" ; chebi:inchi "InChI=1S/C29H45N3O4/c1-20-16-32(17-22-9-6-5-7-10-22)21(2)19-36-26-15-24(30-28(33)23-11-8-12-23)13-14-25(26)29(34)31(3)18-27(20)35-4/h13-15,20-23,27H,5-12,16-19H2,1-4H3,(H,30,33)/t20-,21-,27+/m0/s1" ; chebi:inchikey "ZYUAJIZJWFLNII-NOMHHCBYSA-N" ; chebi:mass "499.686" ; chebi:monoisotopicmass "499.34101" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)CC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100369" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_10037 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18946 ; rdfs:subClassOf obo:CHEBI_26195 ; rdfs:subClassOf obo:CHEBI_35618 ; rdfs:subClassOf obo:CHEBI_72577 . _:b53 rdf:type owl:Restriction . obo:CHEBI_10037 rdfs:subClassOf _:b53 . _:b53 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . _:b54 rdf:type owl:Restriction . obo:CHEBI_10037 rdfs:subClassOf _:b54 . _:b54 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . _:b55 rdf:type owl:Restriction . obo:CHEBI_10037 rdfs:subClassOf _:b55 . _:b55 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50750 . _:b56 rdf:type owl:Restriction . obo:CHEBI_10037 rdfs:subClassOf _:b56 . _:b56 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_62868 . _:b57 rdf:type owl:Restriction . obo:CHEBI_10037 rdfs:subClassOf _:b57 . _:b57 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_68495 . _:b58 rdf:type owl:Restriction . obo:CHEBI_10037 rdfs:subClassOf _:b58 . _:b58 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_72578 . obo:CHEBI_10037 obo:IAO_0000115 "A member of the class of coumestans that is coumestan with hydroxy substituents as positions 1, 8 and 9 and a methoxy substituent at position 3." ; chebi:charge "0" ; chebi:formula "C16H10O7" ; chebi:inchi "InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3" ; chebi:inchikey "XQDCKJKKMFWXGB-UHFFFAOYSA-N" ; chebi:mass "314.24640" ; chebi:monoisotopicmass "314.04265" ; chebi:smiles "COc1cc(O)c2c(c1)oc(=O)c1c3cc(O)c(O)cc3oc21" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10037" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "wedelolactone" . obo:CHEBI_100370 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-39-29(21)18-33(3)31(37)32-27-15-9-10-16-28(27)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22+,29-/m1/s1" ; chebi:inchikey "ONXKQUJAHGZTDG-UETOGOEVSA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC=CC=C4OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100370" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11745" . obo:CHEBI_100371 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27N5O3" ; chebi:inchi "InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20+,22-/m0/s1" ; chebi:inchikey "HKZRXKNGDCOEMV-VWPQPMDRSA-N" ; chebi:mass "421.493" ; chebi:monoisotopicmass "421.21139" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=C3)CO)NC(=O)CC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100371" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_100372 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17-,19+,20+/m0/s1" ; chebi:inchikey "WNHZFTQVONQUSH-SMMRIJLZSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@H]([C@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100372" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11747" . obo:CHEBI_100373 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C15H24F3NO5" ; chebi:inchi "InChI=1S/C15H24F3NO5/c1-22-14(21)6-11-2-3-12-13(24-11)9-23-8-10(20)7-19(12)5-4-15(16,17)18/h10-13,20H,2-9H2,1H3/t10-,11-,12-,13+/m0/s1" ; chebi:inchikey "NGKDTDLAKVOKMV-ZDEQEGDKSA-N" ; chebi:mass "355.351" ; chebi:monoisotopicmass "355.16066" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2CCC(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100373" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_100374 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H26F3N3O6" ; chebi:inchi "InChI=1S/C24H26F3N3O6/c1-34-15-5-2-13(3-6-15)29-23(33)30-14-4-7-19-17(8-14)18-9-16(35-20(11-31)22(18)36-19)10-21(32)28-12-24(25,26)27/h2-8,16,18,20,22,31H,9-12H2,1H3,(H,28,32)(H2,29,30,33)/t16-,18+,20-,22-/m0/s1" ; chebi:inchikey "SPGVKSWBRQENOP-UPSSIMKTSA-N" ; chebi:mass "509.476" ; chebi:monoisotopicmass "509.17737" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100374" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide" . obo:CHEBI_100375 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H29ClN2O5" ; chebi:inchi "InChI=1S/C26H29ClN2O5/c27-17-5-3-16(4-6-17)13-28-24(31)12-19-11-21-20-10-18(29-25(32)9-15-1-2-15)7-8-22(20)34-26(21)23(14-30)33-19/h3-8,10,15,19,21,23,26,30H,1-2,9,11-14H2,(H,28,31)(H,29,32)/t19-,21+,23+,26-/m1/s1" ; chebi:inchikey "LDGCPXKMKGRZSF-HMMJVGNDSA-N" ; chebi:mass "484.973" ; chebi:monoisotopicmass "484.17650" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100375" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_100376 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C21H23N3O6S" ; chebi:inchi "InChI=1S/C21H23N3O6S/c1-24-15-5-4-13(8-19(25)28-2)30-17(15)10-29-16-6-3-12(7-14(16)21(24)27)23-20(26)18-9-22-11-31-18/h3,6-7,9,11,13,15,17H,4-5,8,10H2,1-2H3,(H,23,26)/t13-,15+,17-/m1/s1" ; chebi:inchikey "UYHAGXSFPLQSEJ-UKPHBRMFSA-N" ; chebi:mass "445.491" ; chebi:monoisotopicmass "445.13076" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CN=CS4)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100376" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo(5-thiazolyl)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_100377 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H26N2O5" ; chebi:inchi "InChI=1S/C18H26N2O5/c1-12(22)20-16-7-6-15(25-17(16)11-21)9-18(23)19-10-13-4-3-5-14(8-13)24-2/h3-5,8,15-17,21H,6-7,9-11H2,1-2H3,(H,19,23)(H,20,22)/t15-,16-,17+/m1/s1" ; chebi:inchikey "QHWKOKDSIMAAGX-ZACQAIPSSA-N" ; chebi:mass "350.410" ; chebi:monoisotopicmass "350.18417" ; chebi:smiles "CC(=O)N[C@@H]1CC[C@@H](O[C@H]1CO)CC(=O)NCC2=CC(=CC=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100377" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100378 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H39N5O3S" ; chebi:inchi "InChI=1S/C33H39N5O3S/c1-33(2,3)42(41)38-22-27-20-28(32(40)35-14-17-37-15-4-5-16-37)36-31(30(27)29(38)13-18-39)26-8-6-7-25(19-26)24-11-9-23(21-34)10-12-24/h6-12,19-20,29,39H,4-5,13-18,22H2,1-3H3,(H,35,40)/t29-,42-/m0/s1" ; chebi:inchikey "KRBOYVJOHNAAFC-WHAQVLKXSA-N" ; chebi:mass "585.762" ; chebi:monoisotopicmass "585.27736" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCCN5CCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100378" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100379 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26N2O6S" ; chebi:inchi "InChI=1S/C19H26N2O6S/c1-28(24,25)21-12-4-5-16-14(6-12)15-7-13(26-17(10-22)19(15)27-16)8-18(23)20-9-11-2-3-11/h4-6,11,13,15,17,19,21-22H,2-3,7-10H2,1H3,(H,20,23)/t13-,15+,17-,19-/m1/s1" ; chebi:inchikey "YSCGDHRCRJHNHR-ZSFPCNDZSA-N" ; chebi:mass "410.486" ; chebi:monoisotopicmass "410.15116" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100379" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_10038 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_55465 . _:b59 rdf:type owl:Restriction . obo:CHEBI_10038 rdfs:subClassOf _:b59 . _:b59 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35718 . _:b60 rdf:type owl:Restriction . obo:CHEBI_10038 rdfs:subClassOf _:b60 . _:b60 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . _:b61 rdf:type owl:Restriction . obo:CHEBI_10038 rdfs:subClassOf _:b61 . _:b61 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_18220 . obo:CHEBI_10038 obo:IAO_0000115 "A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4' and a prenyl group at position 6. It has been isolated from Ficus mucuso." ; chebi:charge "0" ; chebi:formula "C20H18O5" ; chebi:inchi "InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3" ; chebi:inchikey "KIMDVVKVNNSHGZ-UHFFFAOYSA-N" ; chebi:mass "338.35390" ; chebi:monoisotopicmass "338.11542" ; chebi:smiles "CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O" ; oboInOwl:hasAlternativeId "CHEBI:69747" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10038" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "wighteone" . obo:CHEBI_100380 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21-,22+,23-/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-HUDOHWAWSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100380" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11755" . obo:CHEBI_100381 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36N4O4" ; chebi:inchi "InChI=1S/C32H36N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(26-11-7-8-12-27(26)35(30)4)25-10-6-5-9-24(25)20-40-28(21)18-34(3)31(38)23-13-15-33-16-14-23/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28+/m0/s1" ; chebi:inchikey "BXWHKXPVJGEBOL-PFPZSTESSA-N" ; chebi:mass "540.654" ; chebi:monoisotopicmass "540.27366" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=CC=NC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100381" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11756" . obo:CHEBI_100382 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22-,29-/m0/s1" ; chebi:inchikey "GTRXSASKUSVSHJ-SYZUXVNWSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100382" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11757" . obo:CHEBI_100383 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C15H21F3N2O4" ; chebi:inchi "InChI=1S/C15H21F3N2O4/c16-15(17,18)8-19-13(22)6-10-3-4-11(12(7-21)24-10)20-14(23)5-9-1-2-9/h3-4,9-12,21H,1-2,5-8H2,(H,19,22)(H,20,23)/t10-,11-,12-/m0/s1" ; chebi:inchikey "QQIOQVYYWJVUEN-SRVKXCTJSA-N" ; chebi:mass "350.334" ; chebi:monoisotopicmass "350.14534" ; chebi:smiles "C1CC1CC(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100383" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-cyclopropyl-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide" . obo:CHEBI_100384 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-27-23(16-21(36-25)17-26(34)29-11-14-32-12-5-2-6-13-32)22-15-20(9-10-24(22)37-27)31-28(35)30-19-7-3-1-4-8-19/h1,3-4,7-10,15,21,23,25,27,33H,2,5-6,11-14,16-18H2,(H,29,34)(H2,30,31,35)/t21-,23+,25-,27-/m1/s1" ; chebi:inchikey "VIZOEWJOWGMLTK-WWUYVNTOSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100384" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100385 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O4S" ; chebi:inchi "InChI=1S/C25H36N4O4S/c1-6-7-23(30)27-19-8-9-21-20(12-19)25(31)28(4)14-22(32-5)17(2)13-29(18(3)16-33-21)15-24-26-10-11-34-24/h8-12,17-18,22H,6-7,13-16H2,1-5H3,(H,27,30)/t17-,18+,22-/m0/s1" ; chebi:inchikey "LLNFNSHBDLACGS-SVMVAKDDSA-N" ; chebi:mass "488.645" ; chebi:monoisotopicmass "488.24573" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100385" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100386 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H30FN3O6S" ; chebi:inchi "InChI=1S/C20H30FN3O6S/c21-15-1-4-17(5-2-15)31(27,28)23-18-6-3-16(30-19(18)14-25)7-8-22-20(26)13-24-9-11-29-12-10-24/h1-2,4-5,16,18-19,23,25H,3,6-14H2,(H,22,26)/t16-,18+,19+/m1/s1" ; chebi:inchikey "JNXYUDJSGYXBCY-NEWSRXKRSA-N" ; chebi:mass "459.534" ; chebi:monoisotopicmass "459.18394" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNC(=O)CN2CCOCC2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100386" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide" . obo:CHEBI_100387 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H39N3O8S" ; chebi:inchi "InChI=1S/C25H39N3O8S/c1-33-20-4-2-5-22(14-20)37(31,32)28-16-19(29)17-35-18-24-23(28)7-6-21(36-24)15-25(30)26-8-3-9-27-10-12-34-13-11-27/h2,4-5,14,19,21,23-24,29H,3,6-13,15-18H2,1H3,(H,26,30)/t19-,21+,23-,24+/m0/s1" ; chebi:inchikey "KOAYSPOFMXWQDS-FPVCRCAZSA-N" ; chebi:mass "541.660" ; chebi:monoisotopicmass "541.24579" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCCCN4CCOCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100387" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100388 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H26ClN3O5S" ; chebi:inchi "InChI=1S/C21H26ClN3O5S/c22-17-5-1-2-6-20(17)31(28,29)24-11-9-16-7-8-18(19(14-26)30-16)25-21(27)12-15-4-3-10-23-13-15/h1-6,10,13,16,18-19,24,26H,7-9,11-12,14H2,(H,25,27)/t16-,18+,19+/m0/s1" ; chebi:inchikey "WMHOVAQHNBVIPJ-QXAKKESOSA-N" ; chebi:mass "467.968" ; chebi:monoisotopicmass "467.12817" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCNS(=O)(=O)C2=CC=CC=C2Cl)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100388" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_100389 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H37N3O4S" ; chebi:inchi "InChI=1S/C28H37N3O4S/c1-28(2,3)36(34)31-18-22-17-23(27(33)29-13-15-35-4)30-26(25(22)24(31)12-14-32)21-11-7-10-20(16-21)19-8-5-6-9-19/h7-8,10-11,16-17,24,32H,5-6,9,12-15,18H2,1-4H3,(H,29,33)/t24-,36-/m1/s1" ; chebi:inchikey "RKRNHXQJFJMDQI-GPJMPKJXSA-N" ; chebi:mass "511.678" ; chebi:monoisotopicmass "511.25048" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC(=CC=C3)C4=CCCC4)C(=O)NCCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100389" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10039 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C43H49NO19" ; chebi:inchi "InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29-,30-,31+,32-,33+,34-,35+,39?,40+,41+,42-,43+/m1/s1" ; chebi:inchikey "XQDBHSNYTFRCNJ-OURLNJDISA-N" ; chebi:mass "883.846" ; chebi:monoisotopicmass "883.28988" ; chebi:smiles "CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]11O[C@@]3(C)COC(=O)c3cccnc3CCC(C)(O)C(=O)O[C@@H]([C@H](OC(=O)c3ccccc3)[C@@H]2OC(C)=O)[C@]1(C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10039" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Wilfordine" . obo:CHEBI_100390 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25F3N4O4" ; chebi:inchi "InChI=1S/C22H25F3N4O4/c23-22(24,25)15-3-5-16(6-4-15)28-21(32)27-11-9-17-7-8-18(19(13-30)33-17)29-20(31)14-2-1-10-26-12-14/h1-6,10,12,17-19,30H,7-9,11,13H2,(H,29,31)(H2,27,28,32)/t17-,18-,19+/m1/s1" ; chebi:inchikey "JHFKDWZHMFMOKL-QRVBRYPASA-N" ; chebi:mass "466.454" ; chebi:monoisotopicmass "466.18279" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CCNC(=O)NC2=CC=C(C=C2)C(F)(F)F)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100390" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_100391 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C24H28N4O4" ; chebi:inchi "InChI=1S/C24H28N4O4/c29-17-22-21(26-24(31)18-8-10-25-11-9-18)7-6-20(32-22)16-23(30)28-14-12-27(13-15-28)19-4-2-1-3-5-19/h1-11,20-22,29H,12-17H2,(H,26,31)/t20-,21-,22-/m1/s1" ; chebi:inchikey "BQXPJFPCKYJDQK-YPAWHYETSA-N" ; chebi:mass "436.504" ; chebi:monoisotopicmass "436.21106" ; chebi:smiles "C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@H]3C=C[C@H]([C@H](O3)CO)NC(=O)C4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100391" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_100392 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H26FN3O6S" ; chebi:inchi "InChI=1S/C26H26FN3O6S/c27-17-3-6-20(7-4-17)37(33,34)30-18-5-8-23-21(10-18)22-11-19(35-24(15-31)26(22)36-23)12-25(32)29-14-16-2-1-9-28-13-16/h1-10,13,19,22,24,26,30-31H,11-12,14-15H2,(H,29,32)/t19-,22+,24+,26-/m0/s1" ; chebi:inchikey "MZNDQAVBBCTOIA-JFXHBBLLSA-N" ; chebi:mass "527.567" ; chebi:monoisotopicmass "527.15263" ; chebi:smiles "C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100392" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_100393 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)20-10-8-18(23)9-11-20)22(32-4)14-25(3)33(28,29)21-7-5-6-19(24)12-21/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "ZQAIRSWGSLNDJM-GSHUGGBRSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100393" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_100394 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_25248 ; rdfs:subClassOf obo:CHEBI_26979 ; chebi:charge "0" ; chebi:formula "C24H25FN2O5" ; chebi:inchi "InChI=1S/C24H25FN2O5/c1-32-24(31)21-18(12-28)17-11-26-19(20(17)27(21)22(29)14-3-2-4-14)10-9-16(23(26)30)13-5-7-15(25)8-6-13/h5-10,14,17-18,20-21,28H,2-4,11-12H2,1H3/t17-,18-,20+,21-/m0/s1" ; chebi:inchikey "YQHVQTZYSLOMSV-MMKMLUHNSA-N" ; chebi:mass "440.465" ; chebi:monoisotopicmass "440.17475" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]2N1C(=O)C5CCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100394" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_100395 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H44N4O4" ; chebi:inchi "InChI=1S/C33H44N4O4/c1-22-18-37(23(2)20-38)32(39)31-30(27-16-10-11-17-28(27)36(31)4)26-15-9-8-12-24(26)21-41-29(22)19-35(3)33(40)34-25-13-6-5-7-14-25/h8-12,15-17,22-23,25,29,38H,5-7,13-14,18-21H2,1-4H3,(H,34,40)/t22-,23+,29-/m0/s1" ; chebi:inchikey "INXMEFHWZGRULI-CTWZREHQSA-N" ; chebi:mass "560.728" ; chebi:monoisotopicmass "560.33626" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4CCCCC4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100395" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11770" . obo:CHEBI_100396 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c1-18(20-5-3-2-4-6-20)31-28(35)16-22-15-24-23-14-21(32-27(34)13-19-9-11-30-12-10-19)7-8-25(23)37-29(24)26(17-33)36-22/h2-12,14,18,22,24,26,29,33H,13,15-17H2,1H3,(H,31,35)(H,32,34)/t18-,22-,24-,26+,29+/m0/s1" ; chebi:inchikey "XWECZACFMCVSEP-IELIKYLDSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100396" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100397 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22+/m0/s1" ; chebi:inchikey "PIYRLUCWZXVSBU-GSHUGGBRSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100397" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100398 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C36H40N4O4S" ; chebi:inchi "InChI=1S/C36H40N4O4S/c1-36(2,3)45(44)40-23-29-21-30(34(42)37-22-24-10-7-6-8-11-24)38-33(32(29)31(40)18-19-41)28-13-9-12-27(20-28)25-14-16-26(17-15-25)35(43)39(4)5/h6-17,20-21,31,41H,18-19,22-23H2,1-5H3,(H,37,42)/t31-,45-/m0/s1" ; chebi:inchikey "WJAYFAVILWHXQO-LPCUMCRCSA-N" ; chebi:mass "624.795" ; chebi:monoisotopicmass "624.27703" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100398" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100399 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34FN3O4" ; chebi:inchi "InChI=1S/C26H34FN3O4/c1-17-13-30(14-20-8-6-7-9-23(20)27)18(2)16-34-24-12-21(28-19(3)31)10-11-22(24)26(32)29(4)15-25(17)33-5/h6-12,17-18,25H,13-16H2,1-5H3,(H,28,31)/t17-,18-,25+/m0/s1" ; chebi:inchikey "BEBQDKOSRNKXPA-DPOKWSEZSA-N" ; chebi:mass "471.565" ; chebi:monoisotopicmass "471.25333" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100399" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_1004 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28155 ; owl:deprecated true . obo:CHEBI_10040 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_69120 ; owl:deprecated true . obo:CHEBI_100400 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36F3N5O5" ; chebi:inchi "InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16-,22+/m1/s1" ; chebi:inchikey "PCJFVZCPKBPEAR-MCFFVMPBSA-N" ; chebi:mass "555.591" ; chebi:monoisotopicmass "555.26685" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100400" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100401 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-5-23(33)31-24-19(20(16-32)25(31)26(34)28-13-8-14-29(2)3)15-30-21(24)12-11-18(27(30)35)17-9-6-7-10-22(17)36-4/h6-7,9-12,19-20,24-25,32H,5,8,13-16H2,1-4H3,(H,28,34)/t19-,20-,24+,25-/m0/s1" ; chebi:inchikey "GDXCTQXPLLMICC-UIYANEJRSA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4OC)[C@@H]([C@H]1C(=O)NCCCN(C)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100401" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100402 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H33ClN4O5" ; chebi:inchi "InChI=1S/C31H33ClN4O5/c1-19-6-5-8-21(14-19)34-31(39)35-22-10-13-27-24(15-22)30(38)36(2)26-12-11-23(41-28(26)18-40-27)16-29(37)33-17-20-7-3-4-9-25(20)32/h3-10,13-15,23,26,28H,11-12,16-18H2,1-2H3,(H,33,37)(H2,34,35,39)/t23-,26-,28+/m0/s1" ; chebi:inchikey "SECMWWJMRQEFAV-PAUTXSKSSA-N" ; chebi:mass "577.072" ; chebi:monoisotopicmass "576.21395" ; chebi:smiles "CC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@H](O4)CC(=O)NCC5=CC=CC=C5Cl)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100402" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-5-methyl-8-[[(3-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_100403 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C32H39N3O5" ; chebi:inchi "InChI=1S/C32H39N3O5/c1-22-18-35(23(2)20-36)31(37)29-12-8-7-11-28(29)27-10-6-5-9-25(27)21-40-30(22)19-34(3)32(38)33-17-24-13-15-26(39-4)16-14-24/h5-16,22-23,30,36H,17-21H2,1-4H3,(H,33,38)/t22-,23+,30+/m0/s1" ; chebi:inchikey "BRMWAKMKOMKLLH-DDFCPOBKSA-N" ; chebi:mass "545.670" ; chebi:monoisotopicmass "545.28897" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100403" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11778" . obo:CHEBI_100404 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46969 ; chebi:charge "0" ; chebi:formula "C33H41N3O4" ; chebi:inchi "InChI=1S/C33H41N3O4/c1-23-18-36(24(2)21-37)33(38)29-12-8-7-11-28(29)27-10-6-5-9-26(27)22-40-32(23)20-34(3)19-25-13-14-30-31(17-25)39-16-15-35(30)4/h5-14,17,23-24,32,37H,15-16,18-22H2,1-4H3/t23-,24-,32-/m0/s1" ; chebi:inchikey "LYDBHCHWWOEKQE-TWVHRYOLSA-N" ; chebi:mass "543.698" ; chebi:monoisotopicmass "543.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC5=C(C=C4)N(CCO5)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100404" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11779" . obo:CHEBI_100405 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C25H27F2N3O5" ; chebi:inchi "InChI=1S/C25H27F2N3O5/c1-3-22(31)28-14-7-10-20-16(11-14)25(33)30(2)19-9-8-15(35-21(19)13-34-20)12-23(32)29-24-17(26)5-4-6-18(24)27/h4-7,10-11,15,19,21H,3,8-9,12-13H2,1-2H3,(H,28,31)(H,29,32)/t15-,19+,21-/m1/s1" ; chebi:inchikey "HLFXQWPRBSRVAN-MFMILTCTSA-N" ; chebi:mass "487.497" ; chebi:monoisotopicmass "487.19188" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NC4=C(C=CC=C4F)F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100405" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]propanamide" . obo:CHEBI_100406 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O5" ; chebi:inchi "InChI=1S/C22H29Cl2N3O5/c23-17-6-4-14(8-18(17)24)26-22(30)27-10-15(28)11-31-12-20-19(27)7-5-16(32-20)9-21(29)25-13-2-1-3-13/h4,6,8,13,15-16,19-20,28H,1-3,5,7,9-12H2,(H,25,29)(H,26,30)/t15-,16-,19-,20+/m0/s1" ; chebi:inchikey "KPSAIAGNOOFEEI-CPLUKWAASA-N" ; chebi:mass "486.389" ; chebi:monoisotopicmass "485.14843" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)NC4=CC(=C(C=C4)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100406" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100407 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27FN4O4S" ; chebi:inchi "InChI=1S/C23H27FN4O4S/c24-20-8-4-5-9-23(20)33(30,31)26-21-11-10-19(32-22(21)16-29)12-13-28-15-18(25-27-28)14-17-6-2-1-3-7-17/h1-9,15,19,21-22,26,29H,10-14,16H2/t19-,21-,22-/m1/s1" ; chebi:inchikey "INJNPRWYOQJIJD-CEMLEFRQSA-N" ; chebi:mass "474.550" ; chebi:monoisotopicmass "474.17370" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NS(=O)(=O)C4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100407" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_100408 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H25FN4O5" ; chebi:inchi "InChI=1S/C24H25FN4O5/c25-18-4-2-1-3-17(18)20-12-29(28-27-20)10-9-16-6-7-19(23(13-30)34-16)26-24(31)15-5-8-21-22(11-15)33-14-32-21/h1-5,8,11-12,16,19,23,30H,6-7,9-10,13-14H2,(H,26,31)/t16-,19+,23+/m1/s1" ; chebi:inchikey "RQZDEGSLOUOYBH-ICPLQIHGSA-N" ; chebi:mass "468.478" ; chebi:monoisotopicmass "468.18090" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCN2C=C(N=N2)C3=CC=CC=C3F)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100408" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100409 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23-,26+,28-/m1/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-NTTHZYIWSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100409" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_10041 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18946 ; rdfs:subClassOf obo:CHEBI_26878 ; rdfs:subClassOf obo:CHEBI_32955 ; rdfs:subClassOf obo:CHEBI_35681 ; rdfs:subClassOf obo:CHEBI_36854 ; rdfs:subClassOf obo:CHEBI_50403 ; rdfs:subClassOf obo:CHEBI_51689 ; rdfs:subClassOf obo:CHEBI_62846 ; rdfs:subClassOf obo:CHEBI_74716 . _:b62 rdf:type owl:Restriction . obo:CHEBI_10041 rdfs:subClassOf _:b62 . _:b62 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . obo:CHEBI_10041 obo:IAO_0000115 "A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 22 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity." ; chebi:charge "0" ; chebi:formula "C28H38O6" ; chebi:inchi "InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1" ; chebi:inchikey "SASUFNRGCZMRFD-JCUIILOWSA-N" ; chebi:mass "470.59770" ; chebi:monoisotopicmass "470.26684" ; chebi:smiles "CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C" ; oboInOwl:hasAlternativeId "CHEBI:66324" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10041" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "withanolide D" . obo:CHEBI_100410 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-30-21-10-9-19(13-24(31)27-14-16-6-7-16)35-23(21)15-34-22-11-8-18(12-20(22)25(30)32)29-26(33)28-17-4-2-3-5-17/h8,11-12,16-17,19,21,23H,2-7,9-10,13-15H2,1H3,(H,27,31)(H2,28,29,33)/t19-,21+,23-/m0/s1" ; chebi:inchikey "OPKRVFTXMKZUJR-WPYKKVEZSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4CCCC4)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100410" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100411 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H33N3O4S2" ; chebi:inchi "InChI=1S/C21H33N3O4S2/c1-16-6-8-19(9-7-16)30(26,27)24(18(3)15-25)12-17(2)20(28-5)13-23(4)14-21-22-10-11-29-21/h6-11,17-18,20,25H,12-15H2,1-5H3/t17-,18+,20+/m0/s1" ; chebi:inchikey "APKXKRHWPGHKNH-NLWGTHIKSA-N" ; chebi:mass "455.637" ; chebi:monoisotopicmass "455.19125" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@@H](CN(C)CC2=NC=CS2)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100411" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]-4-methylbenzenesulfonamide" . obo:CHEBI_100412 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32ClF3N4O6S" ; chebi:inchi "InChI=1S/C26H32ClF3N4O6S/c1-16-12-34(41(37,38)15-26(28,29)30)17(2)14-40-22-10-9-18(11-19(22)24(35)33(3)13-23(16)39-4)31-25(36)32-21-8-6-5-7-20(21)27/h5-11,16-17,23H,12-15H2,1-4H3,(H2,31,32,36)/t16-,17-,23-/m1/s1" ; chebi:inchikey "LAYZWFLVYRXBBA-SEPYTNNBSA-N" ; chebi:mass "621.071" ; chebi:monoisotopicmass "620.16832" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3Cl)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)CC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100412" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-chlorophenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2,2,2-trifluoroethylsulfonyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100413 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H41N3O5" ; chebi:inchi "InChI=1S/C33H41N3O5/c1-23-20-36(17-16-25-10-7-6-8-11-25)24(2)22-41-30-15-14-27(19-29(30)33(38)35(3)21-31(23)40-5)34-32(37)26-12-9-13-28(18-26)39-4/h6-15,18-19,23-24,31H,16-17,20-22H2,1-5H3,(H,34,37)/t23-,24-,31+/m0/s1" ; chebi:inchikey "OXAYHDRNXZXDOZ-ISTJGCCRSA-N" ; chebi:mass "559.697" ; chebi:monoisotopicmass "559.30462" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100413" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100414 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C29H32ClN5O6" ; chebi:inchi "InChI=1S/C29H32ClN5O6/c1-16-27(17(2)41-34-16)33-29(38)32-20-8-11-24-22(12-20)28(37)35(3)23-10-9-21(40-25(23)15-39-24)13-26(36)31-14-18-4-6-19(30)7-5-18/h4-8,11-12,21,23,25H,9-10,13-15H2,1-3H3,(H,31,36)(H2,32,33,38)/t21-,23+,25+/m1/s1" ; chebi:inchikey "VDMGESCZGFUZFC-VTZPFEBOSA-N" ; chebi:mass "582.048" ; chebi:monoisotopicmass "581.20411" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@@H](O4)CC(=O)NCC5=CC=C(C=C5)Cl)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100414" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100415 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "RSKGZFLSRBPJST-YDXRHMNESA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100415" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_100416 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35ClN2O4S" ; chebi:inchi "InChI=1S/C24H35ClN2O4S/c1-18-10-12-22(13-11-18)32(29,30)26(4)16-24(31-5)19(2)14-27(20(3)17-28)15-21-8-6-7-9-23(21)25/h6-13,19-20,24,28H,14-17H2,1-5H3/t19-,20-,24+/m0/s1" ; chebi:inchikey "OWPXWWCVMFAFIQ-MZLICYQSSA-N" ; chebi:mass "483.066" ; chebi:monoisotopicmass "482.20061" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@@H](C)CN(CC2=CC=CC=C2Cl)[C@@H](C)CO)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100416" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_100417 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C19H26N2O6" ; chebi:inchi "InChI=1S/C19H26N2O6/c22-13-8-20-15-3-2-14(27-18(15)10-24-9-13)6-19(23)21-7-12-1-4-16-17(5-12)26-11-25-16/h1,4-5,13-15,18,20,22H,2-3,6-11H2,(H,21,23)/t13-,14+,15-,18+/m0/s1" ; chebi:inchikey "YFRMSEXFMHDWES-JTOWHCCKSA-N" ; chebi:mass "378.420" ; chebi:monoisotopicmass "378.17909" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@H]1CC(=O)NCC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100417" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_100418 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H21N5O2" ; chebi:inchi "InChI=1S/C15H21N5O2/c16-12-5-4-11(22-15(12)10-21)6-8-20-9-14(18-19-20)13-3-1-2-7-17-13/h1-3,7,9,11-12,15,21H,4-6,8,10,16H2/t11-,12-,15-/m0/s1" ; chebi:inchikey "UZCFPAZMYSFTCU-HUBLWGQQSA-N" ; chebi:mass "303.360" ; chebi:monoisotopicmass "303.16952" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=N3)CO)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100418" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(2R,3S,6S)-3-amino-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-2-oxanyl]methanol" . obo:CHEBI_100419 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H31ClN2O6S" ; chebi:inchi "InChI=1S/C22H31ClN2O6S/c23-16-5-4-6-19(11-16)32(28,29)25-13-17(26)14-30-15-21-20(25)8-7-18(31-21)12-22(27)24-9-2-1-3-10-24/h4-6,11,17-18,20-21,26H,1-3,7-10,12-15H2/t17-,18-,20-,21+/m1/s1" ; chebi:inchikey "WUWHFUUUQPRUMO-UKAVVXHISA-N" ; chebi:mass "487.011" ; chebi:monoisotopicmass "486.15914" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3S(=O)(=O)C4=CC(=CC=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100419" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_10042 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26410 ; rdfs:subClassOf obo:CHEBI_36820 ; chebi:charge "0" ; chebi:formula "C12H12N2" ; chebi:inchi "InChI=1S/C12H12N2/c1-2-5-10(6-3-1)11-9-13-14-8-4-7-12(11)14/h1-3,5-6,9H,4,7-8H2" ; chebi:inchikey "FOJCJLSJZFQCID-UHFFFAOYSA-N" ; chebi:mass "184.238" ; chebi:monoisotopicmass "184.10005" ; chebi:smiles "C1Cc2c(cnn2C1)-c1ccccc1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10042" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Withasomnine" . obo:CHEBI_100420 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C20H27FN4O4" ; chebi:inchi "InChI=1S/C20H27FN4O4/c1-24-8-10-25(11-9-24)19(27)12-14-6-7-17(18(13-26)29-14)23-20(28)22-16-5-3-2-4-15(16)21/h2-7,14,17-18,26H,8-13H2,1H3,(H2,22,23,28)/t14-,17-,18+/m1/s1" ; chebi:inchikey "ZHYLMLAAZLDJNG-OLMNPRSZSA-N" ; chebi:mass "406.452" ; chebi:monoisotopicmass "406.20163" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)NC3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100420" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-fluorophenyl)-3-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea" . obo:CHEBI_100421 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H34N2O7S" ; chebi:inchi "InChI=1S/C25H34N2O7S/c1-17-6-9-21(10-7-17)35(30,31)27(19(3)15-28)13-18(2)24(32-5)14-26(4)25(29)20-8-11-22-23(12-20)34-16-33-22/h6-12,18-19,24,28H,13-16H2,1-5H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "XFQUVXMASIHRAZ-YDIMBITNSA-N" ; chebi:mass "506.614" ; chebi:monoisotopicmass "506.20867" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100421" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100422 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34FN3O4" ; chebi:inchi "InChI=1S/C26H34FN3O4/c1-17-13-30(14-20-8-6-7-9-23(20)27)18(2)16-34-24-12-21(28-19(3)31)10-11-22(24)26(32)29(4)15-25(17)33-5/h6-12,17-18,25H,13-16H2,1-5H3,(H,28,31)/t17-,18-,25+/m1/s1" ; chebi:inchikey "BEBQDKOSRNKXPA-GAKIBJFNSA-N" ; chebi:mass "471.565" ; chebi:monoisotopicmass "471.25333" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100422" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_100423 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H41N3O6" ; chebi:inchi "InChI=1S/C29H41N3O6/c1-32-24-9-8-22(16-27(33)30-17-19-5-3-2-4-6-19)38-26(24)18-37-25-10-7-21(15-23(25)29(32)35)31-28(34)20-11-13-36-14-12-20/h7,10,15,19-20,22,24,26H,2-6,8-9,11-14,16-18H2,1H3,(H,30,33)(H,31,34)/t22-,24-,26+/m1/s1" ; chebi:inchikey "JZXYXAGICCVVHG-NOOIUNMQSA-N" ; chebi:mass "527.653" ; chebi:monoisotopicmass "527.29954" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100423" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_100424 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33ClN2O4S" ; chebi:inchi "InChI=1S/C23H33ClN2O4S/c1-18(14-26(19(2)17-27)15-20-10-8-9-13-22(20)24)23(30-4)16-25(3)31(28,29)21-11-6-5-7-12-21/h5-13,18-19,23,27H,14-17H2,1-4H3/t18-,19+,23+/m0/s1" ; chebi:inchikey "BNYRIOADMGPGIR-YCRNBWNJSA-N" ; chebi:mass "469.039" ; chebi:monoisotopicmass "468.18496" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100424" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_100425 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24-,25-,31+/m1/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-BHUVWSLTSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100425" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11800" . obo:CHEBI_100426 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H34N2O6" ; chebi:inchi "InChI=1S/C29H34N2O6/c32-17-26-28-24(14-22(36-26)15-27(33)31-10-7-18-3-1-2-4-20(18)16-31)23-13-21(5-6-25(23)37-28)30-29(34)19-8-11-35-12-9-19/h1-6,13,19,22,24,26,28,32H,7-12,14-17H2,(H,30,34)/t22-,24+,26+,28-/m1/s1" ; chebi:inchikey "AJGJMULVCJFZBU-PWKYGKGFSA-N" ; chebi:mass "506.591" ; chebi:monoisotopicmass "506.24169" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100426" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100427 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21-,24+,26-,28-/m1/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-YFSMRKRJSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100427" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100428 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H41N3O5" ; chebi:inchi "InChI=1S/C27H41N3O5/c1-18-14-30(15-20-5-6-20)19(2)17-35-24-8-7-22(28-26(31)21-9-11-34-12-10-21)13-23(24)27(32)29(3)16-25(18)33-4/h7-8,13,18-21,25H,5-6,9-12,14-17H2,1-4H3,(H,28,31)/t18-,19-,25+/m1/s1" ; chebi:inchikey "WQZORWGHLUMPIH-RRQZXNHTSA-N" ; chebi:mass "487.633" ; chebi:monoisotopicmass "487.30462" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100428" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_100429 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30FN3O6S" ; chebi:inchi "InChI=1S/C25H30FN3O6S/c1-3-36(32,33)28-17-8-11-22-19(12-17)25(31)29(2)21-10-9-18(35-23(21)15-34-22)13-24(30)27-14-16-6-4-5-7-20(16)26/h4-8,11-12,18,21,23,28H,3,9-10,13-15H2,1-2H3,(H,27,30)/t18-,21-,23-/m0/s1" ; chebi:inchikey "MAZJZTZSELFTOO-HARLFGEKSA-N" ; chebi:mass "519.588" ; chebi:monoisotopicmass "519.18394" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@H](O3)CC(=O)NCC4=CC=CC=C4F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100429" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_10043 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25401 ; rdfs:subClassOf obo:CHEBI_38686 . _:b63 rdf:type owl:Restriction . obo:CHEBI_10043 rdfs:subClassOf _:b63 . _:b63 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . _:b64 rdf:type owl:Restriction . obo:CHEBI_10043 rdfs:subClassOf _:b64 . _:b64 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_48422 . _:b65 rdf:type owl:Restriction . obo:CHEBI_10043 rdfs:subClassOf _:b65 . _:b65 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50629 . _:b66 rdf:type owl:Restriction . obo:CHEBI_10043 rdfs:subClassOf _:b66 . _:b66 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . _:b67 rdf:type owl:Restriction . obo:CHEBI_10043 rdfs:subClassOf _:b67 . _:b67 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_78338 . obo:CHEBI_10043 obo:IAO_0000115 "A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8." ; chebi:charge "0" ; chebi:formula "C16H12O5" ; chebi:inchi "InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3" ; chebi:inchikey "XLTFNNCXVBYBSX-UHFFFAOYSA-N" ; chebi:mass "284.26350" ; chebi:monoisotopicmass "284.06847" ; chebi:smiles "COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10043" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "wogonin" . obo:CHEBI_100430 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H37N3O4" ; chebi:inchi "InChI=1S/C30H37N3O4/c1-19-15-33(20(2)17-34)30(36)28-27(24-11-7-8-12-25(24)32(28)4)23-10-6-5-9-22(23)18-37-26(19)16-31(3)29(35)21-13-14-21/h5-12,19-21,26,34H,13-18H2,1-4H3/t19-,20+,26+/m0/s1" ; chebi:inchikey "YAQCSVWFCUIVLJ-OUDXUNEISA-N" ; chebi:mass "503.634" ; chebi:monoisotopicmass "503.27841" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4CC4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100430" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11805" . obo:CHEBI_100431 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H21N3OS" ; chebi:inchi "InChI=1S/C19H21N3OS/c1-3-5-13-6-8-14(9-7-13)18-16(10-20)22(17(18)11-23)19-21-15(4-2)12-24-19/h3,5-9,12,16-18,23H,4,11H2,1-2H3/t16-,17-,18+/m1/s1" ; chebi:inchikey "SLFKQKCTISPXPS-KURKYZTESA-N" ; chebi:mass "339.456" ; chebi:monoisotopicmass "339.14053" ; chebi:smiles "CCC1=CSC(=N1)N2[C@@H]([C@H]([C@H]2C#N)C3=CC=C(C=C3)C=CC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100431" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11806" . obo:CHEBI_100432 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C15H21F3N2O4" ; chebi:inchi "InChI=1S/C15H21F3N2O4/c16-15(17,18)8-19-13(22)6-10-3-4-11(12(7-21)24-10)20-14(23)5-9-1-2-9/h3-4,9-12,21H,1-2,5-8H2,(H,19,22)(H,20,23)/t10-,11-,12+/m0/s1" ; chebi:inchikey "QQIOQVYYWJVUEN-SDDRHHMPSA-N" ; chebi:mass "350.334" ; chebi:monoisotopicmass "350.14534" ; chebi:smiles "C1CC1CC(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100432" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-cyclopropyl-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide" . obo:CHEBI_100433 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H32N4O5S" ; chebi:inchi "InChI=1S/C19H32N4O5S/c1-23-11-19(21-13-23)29(26,27)22-16-8-7-15(28-17(16)12-24)9-18(25)20-10-14-5-3-2-4-6-14/h11,13-17,22,24H,2-10,12H2,1H3,(H,20,25)/t15-,16+,17-/m0/s1" ; chebi:inchikey "VHNINRJVEBHVBF-BBWFWOEESA-N" ; chebi:mass "428.548" ; chebi:monoisotopicmass "428.20934" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)NCC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100433" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(cyclohexylmethyl)-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_100434 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O3S" ; chebi:inchi "InChI=1S/C27H35N3O3S/c1-27(2,3)34(33)30-17-21-16-22(26(32)29(4)5)28-25(24(21)23(30)13-14-31)20-12-8-11-19(15-20)18-9-6-7-10-18/h8-9,11-12,15-16,23,31H,6-7,10,13-14,17H2,1-5H3/t23-,34-/m1/s1" ; chebi:inchikey "PGDAOJJPUPXGSS-GRMGDBHTSA-N" ; chebi:mass "481.652" ; chebi:monoisotopicmass "481.23991" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC(=CC=C3)C4=CCCC4)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100434" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100435 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H28N4O4" ; chebi:inchi "InChI=1S/C25H28N4O4/c30-13-18-20-12-28-19(8-7-17(25(28)33)16-2-1-9-26-11-16)22(29(20)24(32)15-5-6-15)21(18)23(31)27-10-14-3-4-14/h1-2,7-9,11,14-15,18,20-22,30H,3-6,10,12-13H2,(H,27,31)/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "YVZLAXVGGRSZTP-YJMBLLCNSA-N" ; chebi:mass "448.515" ; chebi:monoisotopicmass "448.21106" ; chebi:smiles "C1CC1CNC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@@H]2N3C(=O)C6CC6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100435" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11810" . obo:CHEBI_100436 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H33N5O5" ; chebi:inchi "InChI=1S/C23H33N5O5/c1-13-10-24-14(2)12-32-19-9-17(25-23(30)26-21-15(3)27-33-16(21)4)7-8-18(19)22(29)28(5)11-20(13)31-6/h7-9,13-14,20,24H,10-12H2,1-6H3,(H2,25,26,30)/t13-,14+,20+/m1/s1" ; chebi:inchikey "RYHWAKGNXXOPFN-CKNLXJGOSA-N" ; chebi:mass "459.540" ; chebi:monoisotopicmass "459.24817" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100436" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100437 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H18N2O3S" ; chebi:inchi "InChI=1S/C18H18N2O3S/c19-11-16-18(15-9-5-2-6-10-15)17(12-21)20(16)24(22,23)13-14-7-3-1-4-8-14/h1-10,16-18,21H,12-13H2/t16-,17+,18-/m0/s1" ; chebi:inchikey "SEDZELNMUHOWSZ-KSZLIROESA-N" ; chebi:mass "342.414" ; chebi:monoisotopicmass "342.10381" ; chebi:smiles "C1=CC=C(C=C1)CS(=O)(=O)N2[C@@H]([C@H]([C@@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100437" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile" . obo:CHEBI_100438 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C19H27N3O5" ; chebi:inchi "InChI=1S/C19H27N3O5/c1-2-20-18(24)9-14-6-7-16-17(27-14)12-26-11-13(23)10-22(16)19(25)15-5-3-4-8-21-15/h3-5,8,13-14,16-17,23H,2,6-7,9-12H2,1H3,(H,20,24)/t13-,14-,16-,17+/m0/s1" ; chebi:inchikey "XTMFCURZJJHNFP-NXNVCVFFSA-N" ; chebi:mass "377.436" ; chebi:monoisotopicmass "377.19507" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2C(=O)C3=CC=CC=N3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100438" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(2-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_100439 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36N4O4" ; chebi:inchi "InChI=1S/C32H36N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(26-11-7-8-12-27(26)35(30)4)25-10-6-5-9-24(25)20-40-28(21)18-34(3)31(38)23-13-15-33-16-14-23/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28-/m1/s1" ; chebi:inchikey "BXWHKXPVJGEBOL-RZIGYZOXSA-N" ; chebi:mass "540.654" ; chebi:monoisotopicmass "540.27366" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=CC=NC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100439" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11814" . obo:CHEBI_10044 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26848 ; chebi:charge "0" ; chebi:formula "C22H24O6" ; chebi:inchi "InChI=1S/C22H24O6/c1-11-5-13-7-15-19(27-9-25-15)21(23-3)17(13)18-14(6-12(11)2)8-16-20(22(18)24-4)28-10-26-16/h7-8,11-12H,5-6,9-10H2,1-4H3/t11-,12+" ; chebi:inchikey "HTBWBWWADZJXID-TXEJJXNPSA-N" ; chebi:mass "384.423" ; chebi:monoisotopicmass "384.15729" ; chebi:smiles "COc1c2OCOc2cc2C[C@H](C)[C@H](C)Cc3cc4OCOc4c(OC)c3-c12" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10044" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Wuweizisu C" . obo:CHEBI_100440 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H41N5O3S" ; chebi:inchi "InChI=1S/C34H41N5O3S/c1-34(2,3)43(42)39-23-28-21-29(33(41)36-14-17-38-15-5-4-6-16-38)37-32(31(28)30(39)13-18-40)27-12-8-11-26(20-27)25-10-7-9-24(19-25)22-35/h7-12,19-21,30,40H,4-6,13-18,23H2,1-3H3,(H,36,41)/t30-,43-/m1/s1" ; chebi:inchikey "APUVMPYXYOEPCI-QHKNHCAJSA-N" ; chebi:mass "599.788" ; chebi:monoisotopicmass "599.29301" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCCN5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100440" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100441 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C25H32N2O4" ; chebi:inchi "InChI=1S/C25H32N2O4/c1-17-13-27(18(2)15-28)25(30)23-12-8-7-11-22(23)21-10-6-5-9-20(21)16-31-24(17)14-26(4)19(3)29/h5-12,17-18,24,28H,13-16H2,1-4H3/t17-,18+,24-/m0/s1" ; chebi:inchikey "PBZGESVUNIXUSB-RHGYRFJNSA-N" ; chebi:mass "424.534" ; chebi:monoisotopicmass "424.23621" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100441" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11816" . obo:CHEBI_100442 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22+,27-,28-/m0/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-DEQMQSMYSA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H]4CCCN4C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100442" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11817" . obo:CHEBI_100443 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N5O4" ; chebi:inchi "InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18-,23+/m0/s1" ; chebi:inchikey "ZGJMWZDWXNCIBA-IUKKYPGJSA-N" ; chebi:mass "469.577" ; chebi:monoisotopicmass "469.26890" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100443" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_100444 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C28H38N2O5" ; chebi:inchi "InChI=1S/C28H38N2O5/c1-19(2)17-35-28(33)29(5)15-26-20(3)14-30(21(4)16-31)27(32)25-13-9-8-12-24(25)23-11-7-6-10-22(23)18-34-26/h6-13,19-21,26,31H,14-18H2,1-5H3/t20-,21-,26-/m0/s1" ; chebi:inchikey "BBROUNWBLSFMDY-WOVHNISZSA-N" ; chebi:mass "482.613" ; chebi:monoisotopicmass "482.27807" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OCC(C)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100444" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11819" . obo:CHEBI_100445 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H30N4O4S" ; chebi:inchi "InChI=1S/C25H30N4O4S/c1-15-12-26-16(2)14-33-20-11-17(9-10-18(20)25(31)29(3)13-21(15)32-4)27-23(30)24-28-19-7-5-6-8-22(19)34-24/h5-11,15-16,21,26H,12-14H2,1-4H3,(H,27,30)/t15-,16+,21-/m0/s1" ; chebi:inchikey "HNVRJEXAKGMODG-MRUHUIDDSA-N" ; chebi:mass "482.597" ; chebi:monoisotopicmass "482.19878" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100445" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_100446 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21-,22-,23-,24+/m1/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-RMRNXIRCSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@H](COC[C@H]2[C@H]1CC[C@@H](O2)CC(=O)N[C@@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100446" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8R,10aR)-3-hydroxy-8-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100447 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O6" ; chebi:inchi "InChI=1S/C24H38N4O6/c1-15(2)25-24(31)28-11-16(3)21(33-7)12-27(5)23(30)19-9-8-18(26-22(29)14-32-6)10-20(19)34-13-17(28)4/h8-10,15-17,21H,11-14H2,1-7H3,(H,25,31)(H,26,29)/t16-,17-,21-/m1/s1" ; chebi:inchikey "AOOMHDUDPOWWMY-CBGDNZLLSA-N" ; chebi:mass "478.583" ; chebi:monoisotopicmass "478.27913" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100447" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6R,9R)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_100448 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-27-23(16-21(36-25)17-26(34)29-11-14-32-12-5-2-6-13-32)22-15-20(9-10-24(22)37-27)31-28(35)30-19-7-3-1-4-8-19/h1,3-4,7-10,15,21,23,25,27,33H,2,5-6,11-14,16-18H2,(H,29,34)(H2,30,31,35)/t21-,23+,25+,27-/m1/s1" ; chebi:inchikey "VIZOEWJOWGMLTK-WFHOOFKDSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100448" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100449 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H28N2O7S" ; chebi:inchi "InChI=1S/C24H28N2O7S/c27-15-22-24-20(13-17(32-22)14-23(28)26-8-10-31-11-9-26)19-12-16(6-7-21(19)33-24)25-34(29,30)18-4-2-1-3-5-18/h1-7,12,17,20,22,24-25,27H,8-11,13-15H2/t17-,20+,22+,24-/m0/s1" ; chebi:inchikey "CJNJMLGGDUQPOS-ZUAOHOGDSA-N" ; chebi:mass "488.555" ; chebi:monoisotopicmass "488.16172" ; chebi:smiles "C1COCCN1C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100449" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide" . obo:CHEBI_10045 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48847 ; chebi:charge "0" ; chebi:formula "C15H14O4" ; chebi:inchi "InChI=1S/C15H14O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11H,3H2,1-2H3/b5-4-,11-9+" ; chebi:inchikey "NQZCQIDFBYCBAU-JHGYFVHDSA-N" ; chebi:mass "258.270" ; chebi:monoisotopicmass "258.08921" ; chebi:smiles "CC\\C=C/C#CC(=O)c1ccc(\\C=C\\C(=O)OC)o1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10045" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Wyerone" . obo:CHEBI_100450 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H38N4O4" ; chebi:inchi "InChI=1S/C20H38N4O4/c1-15(2)22-20(27)21-10-8-16-6-7-17(18(14-25)28-16)23-19(26)9-13-24-11-4-3-5-12-24/h15-18,25H,3-14H2,1-2H3,(H,23,26)(H2,21,22,27)/t16-,17+,18+/m0/s1" ; chebi:inchikey "JVYCUASVIANWPE-RCCFBDPRSA-N" ; chebi:mass "398.541" ; chebi:monoisotopicmass "398.28931" ; chebi:smiles "CC(C)NC(=O)NCC[C@@H]1CC[C@H]([C@H](O1)CO)NC(=O)CCN2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100450" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_100451 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C12H21NO5" ; chebi:inchi "InChI=1S/C12H21NO5/c1-16-12(15)4-9-2-3-10-11(18-9)7-17-6-8(14)5-13-10/h8-11,13-14H,2-7H2,1H3/t8-,9+,10+,11-/m1/s1" ; chebi:inchikey "FKMAUGDURCCEJG-VPOLOUISSA-N" ; chebi:mass "259.299" ; chebi:monoisotopicmass "259.14197" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100451" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_100452 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H34FN3O5" ; chebi:inchi "InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18+,24+/m1/s1" ; chebi:inchikey "DMFJOGMIMQDBLX-YTZAWJCFSA-N" ; chebi:mass "475.554" ; chebi:monoisotopicmass "475.24825" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100452" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100453 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_29348 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O4" ; chebi:inchi "InChI=1S/C27H33F3N2O4/c1-18-14-32(19(2)16-33)26(35)23-11-7-6-10-22(23)21-9-5-4-8-20(21)17-36-24(18)15-31(3)25(34)12-13-27(28,29)30/h4-11,18-19,24,33H,12-17H2,1-3H3/t18-,19-,24+/m1/s1" ; chebi:inchikey "VGVIGMMHZQAXDN-IECBHUPTSA-N" ; chebi:mass "506.558" ; chebi:monoisotopicmass "506.23924" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCC(F)(F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100453" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11828" . obo:CHEBI_100454 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O4" ; chebi:inchi "InChI=1S/C27H36FN3O4/c1-6-13-31-15-18(2)25(34-5)16-30(4)27(33)22-12-11-20(14-24(22)35-17-19(31)3)29-26(32)21-9-7-8-10-23(21)28/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H,29,32)/t18-,19+,25-/m1/s1" ; chebi:inchikey "HGUJNTNFLCOWHI-HHJKRLRDSA-N" ; chebi:mass "485.592" ; chebi:monoisotopicmass "485.26898" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100454" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100455 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H27N3O6" ; chebi:inchi "InChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-4-5-19-17(7-15)18-8-16(31-20(12-27)23(18)32-19)9-21(28)25-11-14-3-2-6-24-10-14/h2-7,10,16,18,20,23,27H,8-9,11-13H2,1H3,(H,25,28)(H,26,29)/t16-,18-,20-,23+/m0/s1" ; chebi:inchikey "HQZJCXNXJWTAKA-LUFCQUEKSA-N" ; chebi:mass "441.478" ; chebi:monoisotopicmass "441.18999" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100455" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_100456 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H28N4O3" ; chebi:inchi "InChI=1S/C30H28N4O3/c35-19-24-26-18-33-25(7-4-8-27(33)36)29(34(26)17-20-13-15-31-16-14-20)28(24)30(37)32-23-11-9-22(10-12-23)21-5-2-1-3-6-21/h1-16,24,26,28-29,35H,17-19H2,(H,32,37)/t24-,26-,28+,29+/m1/s1" ; chebi:inchikey "QNNNGHWPHFGBDZ-DOYJQPJHSA-N" ; chebi:mass "492.569" ; chebi:monoisotopicmass "492.21614" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2CC3=CC=NC=C3)C4=CC=CC(=O)N41)C(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100456" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11831" . obo:CHEBI_100457 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32FN3O5S" ; chebi:inchi "InChI=1S/C23H32FN3O5S/c1-17(22(32-4)15-26(3)33(30,31)19-10-6-5-7-11-19)14-27(18(2)16-28)23(29)25-21-13-9-8-12-20(21)24/h5-13,17-18,22,28H,14-16H2,1-4H3,(H,25,29)/t17-,18+,22-/m1/s1" ; chebi:inchikey "PETXHQBGDUFNPW-KGVIQGDOSA-N" ; chebi:mass "481.583" ; chebi:monoisotopicmass "481.20467" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100457" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-4-[benzenesulfonyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100458 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C12H25N3O3" ; chebi:inchi "InChI=1S/C12H25N3O3/c1-8(2)14-12(17)15-10-4-3-9(5-6-13)18-11(10)7-16/h8-11,16H,3-7,13H2,1-2H3,(H2,14,15,17)/t9-,10-,11+/m1/s1" ; chebi:inchikey "RKCCKXKETMZMSY-MXWKQRLJSA-N" ; chebi:mass "259.346" ; chebi:monoisotopicmass "259.18959" ; chebi:smiles "CC(C)NC(=O)N[C@@H]1CC[C@@H](O[C@H]1CO)CCN" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100458" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea" . obo:CHEBI_100459 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-18-14-32(19(2)16-33)28(34)25-13-9-8-12-24(25)23-11-7-6-10-22(23)17-36-26(18)15-31(5)29(35)27-20(3)30-37-21(27)4/h6-13,18-19,26,33H,14-17H2,1-5H3/t18-,19-,26+/m0/s1" ; chebi:inchikey "KKDNYDXSJAWXCE-LZJCXSABSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=C(ON=C4C)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100459" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11834" . obo:CHEBI_10046 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48847 ; chebi:charge "0" ; chebi:formula "C14H12O4" ; chebi:inchi "InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3-,10-8+" ; chebi:inchikey "ZLZFXXJOALTVDA-JWAQTBJPSA-N" ; chebi:mass "244.243" ; chebi:monoisotopicmass "244.07356" ; chebi:smiles "CC\\C=C/C#CC(=O)c1ccc(\\C=C\\C(O)=O)o1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10046" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Wyerone acid" . obo:CHEBI_100460 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H37N5O5" ; chebi:inchi "InChI=1S/C25H37N5O5/c31-16-18-20-15-29-19(7-3-8-21(29)32)23(30(20)25(34)27-17-5-1-2-6-17)22(18)24(33)26-9-4-10-28-11-13-35-14-12-28/h3,7-8,17-18,20,22-23,31H,1-2,4-6,9-16H2,(H,26,33)(H,27,34)/t18-,20-,22+,23+/m0/s1" ; chebi:inchikey "RTKWEIPARALZJI-NEKRIBJYSA-N" ; chebi:mass "487.593" ; chebi:monoisotopicmass "487.27947" ; chebi:smiles "C1CCC(C1)NC(=O)N2[C@H]3CN4C(=O)C=CC=C4[C@@H]2[C@@H]([C@H]3CO)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100460" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11835" . obo:CHEBI_100461 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_59799 ; rdfs:subClassOf obo:CHEBI_78801 . _:b68 rdf:type owl:Restriction . obo:CHEBI_100461 rdfs:subClassOf _:b68 . _:b68 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35623 . obo:CHEBI_100461 obo:IAO_0000115 "A monothioketal formed from 5-chloro-1H-indole-2,3-dione. It has been studied for its anticonvulsant properties." ; chebi:charge "0" ; chebi:formula "C10H8ClNO2S" ; chebi:inchi "InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)10(9(13)12-8)14-3-4-15-10/h1-2,5H,3-4H2,(H,12,13)" ; chebi:inchikey "WLGQOYSRXRIQBG-UHFFFAOYSA-N" ; chebi:mass "241.69400" ; chebi:monoisotopicmass "240.99643" ; chebi:smiles "Clc1ccc2NC(=O)C3(OCCS3)c2c1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100461" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "5-chlorospiro[indole-3,2'-[1,3]oxathiolan]-2(1H)-one" . obo:CHEBI_100462 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25970 ; rdfs:subClassOf obo:CHEBI_51307 ; rdfs:subClassOf obo:CHEBI_64611 . _:b69 rdf:type owl:Restriction . obo:CHEBI_100462 rdfs:subClassOf _:b69 . _:b69 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17859 . _:b70 rdf:type owl:Restriction . obo:CHEBI_100462 rdfs:subClassOf _:b70 . _:b70 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_131618 . obo:CHEBI_100462 obo:IAO_0000115 "A diester obtained by formal condensation of the carboxy groups of glutaric acid with the hydroxy groups of (S)-1,2-di-O-dodecanylglycerol and 7-hydroxy-6-methylphenoxazin-3-one." ; chebi:charge "0" ; chebi:formula "C45H69NO8" ; chebi:inchi "InChI=1S/C45H69NO8/c1-4-6-8-10-12-14-16-18-20-22-31-50-34-38(51-32-23-21-19-17-15-13-11-9-7-5-2)35-52-43(48)25-24-26-44(49)53-41-30-29-40-45(36(41)3)54-42-33-37(47)27-28-39(42)46-40/h27-30,33,38H,4-26,31-32,34-35H2,1-3H3/t38-/m0/s1" ; chebi:inchikey "JEGLJLCZRAWOBI-LHEWISCISA-N" ; chebi:mass "752.033" ; chebi:monoisotopicmass "751.50232" ; chebi:smiles "[C@H](OCCCCCCCCCCCC)(COCCCCCCCCCCCC)COC(CCCC(OC=1C(=C2C(=CC1)N=C3C(O2)=CC(C=C3)=O)C)=O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100462" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester" . obo:CHEBI_100463 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C27H30Cl2N2O5" ; chebi:inchi "InChI=1S/C27H30Cl2N2O5/c28-20-9-19(10-21(29)11-20)27(34)31-14-22(32)15-35-16-25-24(31)6-5-23(36-25)12-26(33)30-8-7-17-3-1-2-4-18(17)13-30/h1-4,9-11,22-25,32H,5-8,12-16H2/t22-,23-,24-,25+/m1/s1" ; chebi:inchikey "RFSVTUPSJXWLCE-VPBXCIAMSA-N" ; chebi:mass "533.444" ; chebi:monoisotopicmass "532.15318" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O)O[C@H]1CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100463" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_100464 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H33N3O5S" ; chebi:inchi "InChI=1S/C22H33N3O5S/c1-17-5-8-19(9-6-17)31(28,29)24-20-10-7-18(30-21(20)16-26)15-22(27)23-11-14-25-12-3-2-4-13-25/h5-10,18,20-21,24,26H,2-4,11-16H2,1H3,(H,23,27)/t18-,20-,21+/m1/s1" ; chebi:inchikey "VUOOERVJSWLFKU-NRSPTQNISA-N" ; chebi:mass "451.581" ; chebi:monoisotopicmass "451.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCCN3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100464" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100465 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H29N3O3" ; chebi:inchi "InChI=1S/C24H29N3O3/c28-15-19-18-14-27-20(10-5-11-21(27)29)22(18)26(13-12-16-6-2-1-3-7-16)23(19)24(30)25-17-8-4-9-17/h1-3,5-7,10-11,17-19,22-23,28H,4,8-9,12-15H2,(H,25,30)/t18-,19-,22+,23-/m1/s1" ; chebi:inchikey "TURNTDXZFQQILD-PJIZGREPSA-N" ; chebi:mass "407.506" ; chebi:monoisotopicmass "407.22089" ; chebi:smiles "C1CC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2CCC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100465" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-cyclobutyl-3-(hydroxymethyl)-6-oxo-1-(2-phenylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100466 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H20FN3OS" ; chebi:inchi "InChI=1S/C22H20FN3OS/c1-2-18-12-25-22(28-18)26-19(11-24)21(20(26)13-27)15-8-6-14(7-9-15)16-4-3-5-17(23)10-16/h3-10,12,19-21,27H,2,13H2,1H3/t19-,20+,21-/m1/s1" ; chebi:inchikey "IQRVCTXELZIWDH-QHAWAJNXSA-N" ; chebi:mass "393.479" ; chebi:monoisotopicmass "393.13111" ; chebi:smiles "CCC1=CN=C(S1)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100466" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100467 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30N4O5S" ; chebi:inchi "InChI=1S/C21H30N4O5S/c1-16(20(30-4)14-24(3)21(27)19-12-22-10-11-23-19)13-25(17(2)15-26)31(28,29)18-8-6-5-7-9-18/h5-12,16-17,20,26H,13-15H2,1-4H3/t16-,17-,20+/m1/s1" ; chebi:inchikey "RULZJLKRRRCHIA-HLIPFELVSA-N" ; chebi:mass "450.554" ; chebi:monoisotopicmass "450.19369" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100467" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_100468 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H25N3O6S" ; chebi:inchi "InChI=1S/C21H25N3O6S/c1-31(27,28)24-13-5-6-18-16(8-13)17-9-15(29-19(12-25)21(17)30-18)10-20(26)23-11-14-4-2-3-7-22-14/h2-8,15,17,19,21,24-25H,9-12H2,1H3,(H,23,26)/t15-,17+,19-,21-/m0/s1" ; chebi:inchikey "JZVGIVMTJSWJDH-MRCYXTNMSA-N" ; chebi:mass "447.507" ; chebi:monoisotopicmass "447.14641" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100468" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100469 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H26FN3O6S" ; chebi:inchi "InChI=1S/C26H26FN3O6S/c27-17-3-6-20(7-4-17)37(33,34)30-18-5-8-23-21(10-18)22-11-19(35-24(15-31)26(22)36-23)12-25(32)29-14-16-2-1-9-28-13-16/h1-10,13,19,22,24,26,30-31H,11-12,14-15H2,(H,29,32)/t19-,22-,24-,26+/m1/s1" ; chebi:inchikey "MZNDQAVBBCTOIA-DBSKKGOSSA-N" ; chebi:mass "527.567" ; chebi:monoisotopicmass "527.15263" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100469" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_10047 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C11H11N2O2X" ; chebi:mass "203.218" ; chebi:monoisotopicmass "203.08205" ; chebi:smiles "OC(=O)[C@H](Cc1c[nH]c2ccccc12)N*" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10047" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "X-Trp" . obo:CHEBI_100470 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O6" ; chebi:inchi "InChI=1S/C30H38ClN5O6/c1-35-25-9-8-21(18-28(37)32-11-4-12-36-13-15-40-16-14-36)42-27(25)19-41-26-10-7-20(17-22(26)29(35)38)33-30(39)34-24-6-3-2-5-23(24)31/h2-3,5-7,10,17,21,25,27H,4,8-9,11-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t21-,25-,27+/m0/s1" ; chebi:inchikey "MRBZRZGKCPBOJB-IDNYDCHQSA-N" ; chebi:mass "600.107" ; chebi:monoisotopicmass "599.25106" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100470" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100471 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H39N3O4" ; chebi:inchi "InChI=1S/C34H39N3O4/c1-23-19-37(24(2)21-38)34(40)33-32(28-16-10-11-17-29(28)36(33)4)27-15-9-8-14-26(27)22-41-30(23)20-35(3)31(39)18-25-12-6-5-7-13-25/h5-17,23-24,30,38H,18-22H2,1-4H3/t23-,24+,30+/m1/s1" ; chebi:inchikey "BENJSVFNXVDSQO-QEGDFHJFSA-N" ; chebi:mass "553.692" ; chebi:monoisotopicmass "553.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100471" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11845" . obo:CHEBI_100472 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H34N2O6" ; chebi:inchi "InChI=1S/C24H34N2O6/c27-18-13-26(12-17-4-7-21-22(10-17)31-16-30-21)20-6-5-19(32-23(20)15-29-14-18)11-24(28)25-8-2-1-3-9-25/h4,7,10,18-20,23,27H,1-3,5-6,8-9,11-16H2/t18-,19-,20+,23-/m1/s1" ; chebi:inchikey "TYHBJRPCTKOJBR-ISHFTEKXSA-N" ; chebi:mass "446.537" ; chebi:monoisotopicmass "446.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100472" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_100473 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C25H31N5O5S" ; chebi:inchi "InChI=1S/C25H31N5O5S/c1-28-7-9-30(10-8-28)23(31)12-17-4-5-20-22(35-17)13-34-21-6-3-16(11-18(21)25(33)29(20)2)27-24(32)19-14-36-15-26-19/h3,6,11,14-15,17,20,22H,4-5,7-10,12-13H2,1-2H3,(H,27,32)/t17-,20-,22+/m1/s1" ; chebi:inchikey "MBWHXZFHLNKYMT-ZNLUXHQJSA-N" ; chebi:mass "513.611" ; chebi:monoisotopicmass "513.20459" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100473" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide" . obo:CHEBI_100474 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C16H25N3O5S" ; chebi:inchi "InChI=1S/C16H25N3O5S/c1-2-25(22,23)19-14-7-6-13(24-15(14)11-20)9-16(21)18-10-12-5-3-4-8-17-12/h3-5,8,13-15,19-20H,2,6-7,9-11H2,1H3,(H,18,21)/t13-,14-,15-/m0/s1" ; chebi:inchikey "MEPVQKQIDHVRNZ-KKUMJFAQSA-N" ; chebi:mass "371.454" ; chebi:monoisotopicmass "371.15149" ; chebi:smiles "CCS(=O)(=O)N[C@H]1CC[C@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=N2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100474" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6R)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100475 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H33N5O3S" ; chebi:inchi "InChI=1S/C33H33N5O3S/c1-33(2,3)42(41)38-21-27-18-28(32(40)36-20-23-11-14-35-15-12-23)37-31(30(27)29(38)13-16-39)26-6-4-5-25(17-26)24-9-7-22(19-34)8-10-24/h4-12,14-15,17-18,29,39H,13,16,20-21H2,1-3H3,(H,36,40)/t29-,42-/m0/s1" ; chebi:inchikey "SIVBIYNXLDZPKJ-WHAQVLKXSA-N" ; chebi:mass "579.714" ; chebi:monoisotopicmass "579.23041" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100475" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100476 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C26H28F3N3O6" ; chebi:inchi "InChI=1S/C26H28F3N3O6/c1-32-20-8-7-18(12-23(33)30-14-26(27,28)29)38-22(20)13-37-21-9-6-16(11-19(21)25(32)35)31-24(34)15-4-3-5-17(10-15)36-2/h3-6,9-11,18,20,22H,7-8,12-14H2,1-2H3,(H,30,33)(H,31,34)/t18-,20-,22-/m1/s1" ; chebi:inchikey "RKECGHSSKXUWCJ-SYYKKAFVSA-N" ; chebi:mass "535.513" ; chebi:monoisotopicmass "535.19302" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100476" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide" . obo:CHEBI_100477 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17-,22-/m1/s1" ; chebi:inchikey "PIYRLUCWZXVSBU-DRSNIGMVSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100477" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100478 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(18(3)31)17(2)15-35-23-11-10-19(28-25(32)20-8-6-7-9-22(20)27)12-21(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,32)/t16-,17-,24+/m1/s1" ; chebi:inchikey "MJQDMCPXEXXQJL-OJLQRUNKSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100478" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide" . obo:CHEBI_100479 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25ClN2O6" ; chebi:inchi "InChI=1S/C24H25ClN2O6/c1-27-19-8-7-17(12-22(28)31-2)33-21(19)13-32-20-9-6-16(11-18(20)24(27)30)26-23(29)14-4-3-5-15(25)10-14/h3-6,9-11,17,19,21H,7-8,12-13H2,1-2H3,(H,26,29)/t17-,19+,21+/m1/s1" ; chebi:inchikey "PZXWXIAUASIELU-LMNJBCLMSA-N" ; chebi:mass "472.919" ; chebi:monoisotopicmass "472.14011" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100479" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_10048 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37038 ; rdfs:subClassOf obo:CHEBI_53012 . _:b71 rdf:type owl:Restriction . obo:CHEBI_10048 rdfs:subClassOf _:b71 . _:b71 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76971 . _:b72 rdf:type owl:Restriction . obo:CHEBI_10048 rdfs:subClassOf _:b72 . _:b72 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_59884 . obo:CHEBI_10048 obo:IAO_0000115 "A purine ribonucleoside 5'-diphosphate having xanthosine as the nucleobase." ; chebi:charge "0" ; chebi:formula "C10H14N4O12P2" ; chebi:inchi "InChI=1S/C10H14N4O12P2/c15-5-3(1-24-28(22,23)26-27(19,20)21)25-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1" ; chebi:inchikey "YMOPVQQBWLGDOD-UUOKFMHZSA-N" ; chebi:mass "444.18530" ; chebi:monoisotopicmass "444.00835" ; chebi:smiles "O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10048" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "XDP" . obo:CHEBI_100480 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C17H21FN2O4" ; chebi:inchi "InChI=1S/C17H21FN2O4/c1-20(2)16(22)9-13-7-8-14(15(10-21)24-13)19-17(23)11-3-5-12(18)6-4-11/h3-8,13-15,21H,9-10H2,1-2H3,(H,19,23)/t13-,14+,15-/m0/s1" ; chebi:inchikey "AKLLRXAVVXEIMF-ZNMIVQPWSA-N" ; chebi:mass "336.359" ; chebi:monoisotopicmass "336.14854" ; chebi:smiles "CN(C)C(=O)C[C@@H]1C=C[C@H]([C@@H](O1)CO)NC(=O)C2=CC=C(C=C2)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100480" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide" . obo:CHEBI_100481 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C31H35N3O6" ; chebi:inchi "InChI=1S/C31H35N3O6/c1-20-15-34(21(2)17-35)30(36)26-11-7-6-10-25(26)24-9-5-4-8-22(24)18-38-29(20)16-33(3)31(37)32-23-12-13-27-28(14-23)40-19-39-27/h4-14,20-21,29,35H,15-19H2,1-3H3,(H,32,37)/t20-,21+,29-/m1/s1" ; chebi:inchikey "APWUXYFXBMGRIO-HNMNOHOESA-N" ; chebi:mass "545.627" ; chebi:monoisotopicmass "545.25259" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100481" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11855" . obo:CHEBI_100482 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22+,26+,28-/m1/s1" ; chebi:inchikey "WXIRIDSMDJYJEU-HAGKMHAYSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100482" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100483 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H28FN3O5" ; chebi:inchi "InChI=1S/C25H28FN3O5/c1-28(2)23(30)13-18-9-10-20-22(34-18)14-33-21-11-8-17(12-19(21)25(32)29(20)3)27-24(31)15-4-6-16(26)7-5-15/h4-8,11-12,18,20,22H,9-10,13-14H2,1-3H3,(H,27,31)/t18-,20-,22+/m0/s1" ; chebi:inchikey "VIDGDBZXEWMIQL-RCZSKKKRSA-N" ; chebi:mass "469.506" ; chebi:monoisotopicmass "469.20130" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)CC(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100483" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide" . obo:CHEBI_100484 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H34F2N2O4S" ; chebi:inchi "InChI=1S/C24H34F2N2O4S/c1-17-6-9-22(10-7-17)33(30,31)28(19(3)16-29)13-18(2)24(32-5)15-27(4)14-20-12-21(25)8-11-23(20)26/h6-12,18-19,24,29H,13-16H2,1-5H3/t18-,19+,24-/m0/s1" ; chebi:inchikey "VKCFDPYGFDYBIC-GLDPYIMESA-N" ; chebi:mass "484.602" ; chebi:monoisotopicmass "484.22074" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100484" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_100485 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C29H33N3O4" ; chebi:inchi "InChI=1S/C29H33N3O4/c1-20-16-32(21(2)18-33)29(35)26-11-7-6-10-25(26)24-9-5-4-8-23(24)19-36-27(20)17-31(3)28(34)22-12-14-30-15-13-22/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21+,27-/m0/s1" ; chebi:inchikey "VHVNEVJWYRMESY-ISCCLHIJSA-N" ; chebi:mass "487.591" ; chebi:monoisotopicmass "487.24711" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100485" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11859" . obo:CHEBI_100486 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H27NO8S" ; chebi:inchi "InChI=1S/C19H27NO8S/c1-25-16-5-3-4-6-18(16)29(23,24)20-10-13(21)11-27-12-17-15(20)8-7-14(28-17)9-19(22)26-2/h3-6,13-15,17,21H,7-12H2,1-2H3/t13-,14+,15-,17+/m1/s1" ; chebi:inchikey "WAKYUTRBASZCGN-DLTWYDFYSA-N" ; chebi:mass "429.486" ; chebi:monoisotopicmass "429.14574" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)OC)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100486" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_100487 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C22H28ClN3O4S" ; chebi:inchi "InChI=1S/C22H28ClN3O4S/c23-18-4-2-1-3-15(18)10-25-21(28)9-17-5-6-19-20(30-17)14-29-13-16(27)11-26(19)12-22-24-7-8-31-22/h1-4,7-8,16-17,19-20,27H,5-6,9-14H2,(H,25,28)/t16-,17-,19+,20-/m1/s1" ; chebi:inchikey "VRNJYJIECLSBHX-IZBJGVDFSA-N" ; chebi:mass "465.995" ; chebi:monoisotopicmass "465.14891" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)NCC4=CC=CC=C4Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100487" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_100488 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C23H27FN4O5" ; chebi:inchi "InChI=1S/C23H27FN4O5/c24-16-3-1-15(2-4-16)10-27-22(30)9-18-5-6-20-21(33-18)14-32-13-17(29)12-28(20)23(31)19-11-25-7-8-26-19/h1-4,7-8,11,17-18,20-21,29H,5-6,9-10,12-14H2,(H,27,30)/t17-,18-,20+,21-/m1/s1" ; chebi:inchikey "AVCDQRNGDYLZTC-RMVXJAJNSA-N" ; chebi:mass "458.484" ; chebi:monoisotopicmass "458.19655" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@H]1CC(=O)NCC4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100488" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_100489 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H36N4O6" ; chebi:inchi "InChI=1S/C29H36N4O6/c1-33-24-4-3-22(17-27(34)31-13-8-19-6-11-30-12-7-19)39-26(24)18-38-25-5-2-21(16-23(25)29(33)36)32-28(35)20-9-14-37-15-10-20/h2,5-7,11-12,16,20,22,24,26H,3-4,8-10,13-15,17-18H2,1H3,(H,31,34)(H,32,35)/t22-,24-,26-/m1/s1" ; chebi:inchikey "XUZKWORPTAYLRR-QIGHUWCUSA-N" ; chebi:mass "536.620" ; chebi:monoisotopicmass "536.26348" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100489" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_10049 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37045 ; rdfs:subClassOf obo:CHEBI_53012 . _:b73 rdf:type owl:Restriction . obo:CHEBI_10049 rdfs:subClassOf _:b73 . _:b73 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_75771 . _:b74 rdf:type owl:Restriction . obo:CHEBI_10049 rdfs:subClassOf _:b74 . _:b74 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76971 . _:b75 rdf:type owl:Restriction . obo:CHEBI_10049 rdfs:subClassOf _:b75 . _:b75 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_59885 . obo:CHEBI_10049 obo:IAO_0000115 "The xanthosine 5'-phosphate in which the 5'-phosphate is a triphosphate group." ; chebi:charge "0" ; chebi:formula "C10H15N4O15P3" ; chebi:inchi "InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1" ; chebi:inchikey "CAEFEWVYEZABLA-UUOKFMHZSA-N" ; chebi:mass "524.16520" ; chebi:monoisotopicmass "523.97468" ; chebi:smiles "O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10049" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "XTP" . obo:CHEBI_100490 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H32N4O6" ; chebi:inchi "InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16+,17-,18+/m0/s1" ; chebi:inchikey "XOXZVIQHUYDNGA-XWTMOSNGSA-N" ; chebi:mass "436.503" ; chebi:monoisotopicmass "436.23218" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCC4CC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100490" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8R,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100491 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C28H37N3O7S" ; chebi:inchi "InChI=1S/C28H37N3O7S/c1-36-23-8-5-9-25(16-23)39(34,35)31-18-22(32)19-37-20-27-26(31)11-10-24(38-27)17-28(33)30-14-12-29(13-15-30)21-6-3-2-4-7-21/h2-9,16,22,24,26-27,32H,10-15,17-20H2,1H3/t22-,24-,26-,27+/m1/s1" ; chebi:inchikey "JIBJCGLYXNSLDN-KQPVPGJTSA-N" ; chebi:mass "559.676" ; chebi:monoisotopicmass "559.23522" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100491" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_100492 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H37N3O4" ; chebi:inchi "InChI=1S/C30H37N3O4/c1-19-15-33(20(2)17-34)30(36)28-27(24-11-7-8-12-25(24)32(28)4)23-10-6-5-9-22(23)18-37-26(19)16-31(3)29(35)21-13-14-21/h5-12,19-21,26,34H,13-18H2,1-4H3/t19-,20-,26-/m0/s1" ; chebi:inchikey "YAQCSVWFCUIVLJ-DYLHXGEVSA-N" ; chebi:mass "503.634" ; chebi:monoisotopicmass "503.27841" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4CC4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100492" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11866" . obo:CHEBI_100493 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H41N3O5" ; chebi:inchi "InChI=1S/C35H41N3O5/c1-23-19-38(24(2)21-39)34(40)32-31(28-17-11-12-18-29(28)37(32)4)27-16-10-9-15-26(27)22-43-30(23)20-36(3)35(41)33(42-5)25-13-7-6-8-14-25/h6-18,23-24,30,33,39H,19-22H2,1-5H3/t23-,24-,30-,33+/m1/s1" ; chebi:inchikey "ZXKFKEACMTVYCV-VAHUEIHFSA-N" ; chebi:mass "583.718" ; chebi:monoisotopicmass "583.30462" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](C4=CC=CC=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100493" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11867" . obo:CHEBI_100494 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27N3O6S" ; chebi:inchi "InChI=1S/C22H27N3O6S/c1-30-17-2-5-19(6-3-17)32(28,29)25-20-7-4-18(31-21(20)15-26)14-22(27)24-13-10-16-8-11-23-12-9-16/h2-9,11-12,18,20-21,25-26H,10,13-15H2,1H3,(H,24,27)/t18-,20+,21-/m0/s1" ; chebi:inchikey "SKMIIEGWSYGYOW-TYPHKJRUSA-N" ; chebi:mass "461.533" ; chebi:monoisotopicmass "461.16206" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100494" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_100495 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28F3N3O6" ; chebi:inchi "InChI=1S/C25H28F3N3O6/c1-35-9-8-29-22(33)12-17-11-19-18-10-16(6-7-20(18)37-23(19)21(13-32)36-17)31-24(34)30-15-4-2-14(3-5-15)25(26,27)28/h2-7,10,17,19,21,23,32H,8-9,11-13H2,1H3,(H,29,33)(H2,30,31,34)/t17-,19-,21+,23+/m1/s1" ; chebi:inchikey "JDHDHCLBKAEOSQ-YZBYQZESSA-N" ; chebi:mass "523.502" ; chebi:monoisotopicmass "523.19302" ; chebi:smiles "COCCNC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100495" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_100496 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-35-20-10-7-18(8-11-20)30-28(34)31-19-9-12-24-22(13-19)23-14-21(36-25(16-32)27(23)37-24)15-26(33)29-17-5-3-2-4-6-17/h7-13,17,21,23,25,27,32H,2-6,14-16H2,1H3,(H,29,33)(H2,30,31,34)/t21-,23+,25-,27-/m1/s1" ; chebi:inchikey "ATPIYVGDEBDNGC-WWUYVNTOSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100496" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_100497 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C29H31N5O3" ; chebi:inchi "InChI=1S/C29H31N5O3/c35-18-23-25-17-34-24(11-10-22(29(34)37)20-7-1-2-8-20)27(33(25)16-19-6-5-12-30-14-19)26(23)28(36)32-15-21-9-3-4-13-31-21/h3-7,9-14,23,25-27,35H,1-2,8,15-18H2,(H,32,36)/t23-,25-,26+,27+/m1/s1" ; chebi:inchikey "DPJGOJUVSBIVRD-ZDEZRRDYSA-N" ; chebi:mass "497.589" ; chebi:monoisotopicmass "497.24269" ; chebi:smiles "C1CC=C(C1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4CC5=CN=CC=C5)CN3C2=O)CO)C(=O)NCC6=CC=CC=N6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100497" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11871" . obo:CHEBI_100498 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C37H46N4O4" ; chebi:inchi "InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26+,32-,33+/m0/s1" ; chebi:inchikey "UJZHWGMAKJZUOC-ZOWCYTSZSA-N" ; chebi:mass "610.787" ; chebi:monoisotopicmass "610.35191" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100498" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11872" . obo:CHEBI_100499 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H43N3O4" ; chebi:inchi "InChI=1S/C28H43N3O4/c32-21-26-25(29-27(33)13-16-30-14-5-2-6-15-30)10-9-24(35-26)20-28(34)31-17-11-23(12-18-31)19-22-7-3-1-4-8-22/h1,3-4,7-8,23-26,32H,2,5-6,9-21H2,(H,29,33)/t24-,25-,26+/m0/s1" ; chebi:inchikey "HBACCIGQRKGJSE-KKUQBAQOSA-N" ; chebi:mass "485.660" ; chebi:monoisotopicmass "485.32536" ; chebi:smiles "C1CCN(CC1)CCC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100499" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_1005 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28174 ; owl:deprecated true . obo:CHEBI_10050 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38418 ; rdfs:subClassOf obo:CHEBI_46948 ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C41H38N6O5S2" ; chebi:inchi "InChI=1S/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,44,50)(H,45,51)/t33-,34-,35+,36+/m1/s1" ; chebi:inchikey "MDYWWBMXAFPJCJ-NWJWHWDBSA-N" ; chebi:mass "758.911" ; chebi:monoisotopicmass "758.23451" ; chebi:smiles "O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)NC2=S=CC=N2)C(=O)N(Cc2cccc(c2)C(=O)NC2=S=CC=N2)[C@@H]1Cc1ccccc1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10050" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "XV638" . obo:CHEBI_100500 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C17H19F3N2O5" ; chebi:inchi "InChI=1S/C17H19F3N2O5/c1-26-15(24)8-12-6-7-13(14(9-23)27-12)22-16(25)21-11-4-2-10(3-5-11)17(18,19)20/h2-7,12-14,23H,8-9H2,1H3,(H2,21,22,25)/t12-,13+,14+/m1/s1" ; chebi:inchikey "PYGNPVIZRZQEAZ-RDBSUJKOSA-N" ; chebi:mass "388.339" ; chebi:monoisotopicmass "388.12461" ; chebi:smiles "COC(=O)C[C@H]1C=C[C@@H]([C@@H](O1)CO)NC(=O)NC2=CC=C(C=C2)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100500" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester" . obo:CHEBI_100501 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H25ClN2O7S" ; chebi:inchi "InChI=1S/C23H25ClN2O7S/c1-26-18-9-8-15(12-22(27)31-2)33-20(18)13-32-19-10-7-14(11-16(19)23(26)28)25-34(29,30)21-6-4-3-5-17(21)24/h3-7,10-11,15,18,20,25H,8-9,12-13H2,1-2H3/t15-,18-,20+/m0/s1" ; chebi:inchikey "QTFAPORQFWHYLC-ZAAXVRCTSA-N" ; chebi:mass "508.974" ; chebi:monoisotopicmass "508.10710" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100501" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_100502 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H35N3O5S2" ; chebi:inchi "InChI=1S/C30H35N3O5S2/c1-20-15-33(21(2)17-34)30(35)29-28(25-11-7-8-12-26(25)32(29)4)24-10-6-5-9-22(24)18-38-27(20)16-31(3)40(36,37)23-13-14-39-19-23/h5-14,19-21,27,34H,15-18H2,1-4H3/t20-,21+,27-/m1/s1" ; chebi:inchikey "XFTZCOPLMXQWPM-PBDKAQRYSA-N" ; chebi:mass "581.749" ; chebi:monoisotopicmass "581.20181" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CSC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100502" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11876" . obo:CHEBI_100503 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C28H38N2O5" ; chebi:inchi "InChI=1S/C28H38N2O5/c1-19(2)17-35-28(33)29(5)15-26-20(3)14-30(21(4)16-31)27(32)25-13-9-8-12-24(25)23-11-7-6-10-22(23)18-34-26/h6-13,19-21,26,31H,14-18H2,1-5H3/t20-,21+,26-/m1/s1" ; chebi:inchikey "BBROUNWBLSFMDY-YZIHRLCOSA-N" ; chebi:mass "482.613" ; chebi:monoisotopicmass "482.27807" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)OCC(C)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100503" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11877" . obo:CHEBI_100504 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H26FN3O3" ; chebi:inchi "InChI=1S/C27H26FN3O3/c28-22-8-4-3-7-18(22)19-9-10-23-24-20(14-31(23)26(19)33)21(15-32)25(29-24)27(34)30-12-11-16-5-1-2-6-17(16)13-30/h1-10,20-21,24-25,29,32H,11-15H2/t20-,21-,24+,25-/m1/s1" ; chebi:inchikey "FZFLVCQZKXFTSN-KZKYLIHBSA-N" ; chebi:mass "459.513" ; chebi:monoisotopicmass "459.19582" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)[C@H]3[C@@H]([C@H]4CN5C(=CC=C(C5=O)C6=CC=CC=C6F)[C@H]4N3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100504" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7-(2-fluorophenyl)-3-(hydroxymethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_100505 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21-,23-,25-,27+/m1/s1" ; chebi:inchikey "ISBRQPNQXSURAN-DJILIAROSA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100505" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100506 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H38FN3O4" ; chebi:inchi "InChI=1S/C28H38FN3O4/c1-6-7-27(33)30-23-12-13-24-25(14-23)36-18-20(3)32(16-21-8-10-22(29)11-9-21)15-19(2)26(35-5)17-31(4)28(24)34/h8-14,19-20,26H,6-7,15-18H2,1-5H3,(H,30,33)/t19-,20-,26+/m1/s1" ; chebi:inchikey "KMKGAVOVEHQLPH-KYTVRQNUSA-N" ; chebi:mass "499.618" ; chebi:monoisotopicmass "499.28463" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CC3=CC=C(C=C3)F)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100506" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(4-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100507 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C33H36N2O7" ; chebi:inchi "InChI=1S/C33H36N2O7/c36-20-30-32-28(27-16-23(8-11-29(27)42-32)35-33(38)22-12-14-39-15-13-22)17-26(41-30)18-31(37)34-19-21-6-9-25(10-7-21)40-24-4-2-1-3-5-24/h1-11,16,22,26,28,30,32,36H,12-15,17-20H2,(H,34,37)(H,35,38)/t26-,28+,30+,32-/m0/s1" ; chebi:inchikey "MARYDHBQWVLAFX-OVIZOQQBSA-N" ; chebi:mass "572.649" ; chebi:monoisotopicmass "572.25225" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100507" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100508 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29(2)24(31)14-19-10-11-21-23(35-19)16-34-22-12-9-18(13-20(22)25(32)30(21)3)28-26(33)27-15-17-7-5-4-6-8-17/h4-9,12-13,19,21,23H,10-11,14-16H2,1-3H3,(H2,27,28,33)/t19-,21+,23-/m0/s1" ; chebi:inchikey "IOGMTQBPALZMTJ-WPYKKVEZSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NCC4=CC=CC=C4)CC(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100508" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide" . obo:CHEBI_100509 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H25N3O6" ; chebi:inchi "InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18-,20+/m1/s1" ; chebi:inchikey "HJRBVKTVNLVVPO-POAQFYNOSA-N" ; chebi:mass "439.462" ; chebi:monoisotopicmass "439.17434" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100509" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_10051 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C8H16N5O3R" ; chebi:mass "230.245" ; chebi:monoisotopicmass "230.12531" ; chebi:smiles "N[C@@H]([*])C(=O)N[C@@H](CCCNC(N)=N)C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10051" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xaa-Arg" . obo:CHEBI_100510 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34N2O7S" ; chebi:inchi "InChI=1S/C27H34N2O7S/c1-34-19-8-5-9-21(13-19)37(32,33)29-18-10-11-24-22(12-18)23-14-20(35-25(16-30)27(23)36-24)15-26(31)28-17-6-3-2-4-7-17/h5,8-13,17,20,23,25,27,29-30H,2-4,6-7,14-16H2,1H3,(H,28,31)/t20-,23+,25+,27-/m1/s1" ; chebi:inchikey "MPXYHEQTTLDTMZ-DJOAJLSESA-N" ; chebi:mass "530.635" ; chebi:monoisotopicmass "530.20867" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100510" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_100511 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27Cl2N3O5" ; chebi:inchi "InChI=1S/C23H27Cl2N3O5/c1-32-20-5-3-2-4-18(20)27-23(31)28-19-9-7-15(33-21(19)13-29)11-22(30)26-12-14-6-8-16(24)17(25)10-14/h2-6,8,10,15,19,21,29H,7,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,19-,21+/m0/s1" ; chebi:inchikey "XCDRDXJNPKYISK-PAXLWEDBSA-N" ; chebi:mass "496.384" ; chebi:monoisotopicmass "495.13278" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100511" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_100512 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-20-16-33(17-22-6-5-11-30-15-22)21(2)19-38-26-8-7-24(31-28(34)23-9-12-37-13-10-23)14-25(26)29(35)32(3)18-27(20)36-4/h5-8,11,14-15,20-21,23,27H,9-10,12-13,16-19H2,1-4H3,(H,31,34)/t20-,21+,27+/m0/s1" ; chebi:inchikey "WKDBULKSLWTRKP-FYQCMVGJSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100512" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_100513 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31F2N3O5S" ; chebi:inchi "InChI=1S/C23H31F2N3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17-,22+/m1/s1" ; chebi:inchikey "DYSXQKGXYVAXRN-YVHKJVDXSA-N" ; chebi:mass "499.573" ; chebi:monoisotopicmass "499.19525" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100513" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(2-fluorophenyl)-1-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100514 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-29(2)15-25(32)28-19-7-8-23-21(11-19)22-12-20(34-24(16-31)27(22)35-23)13-26(33)30-10-9-17-5-3-4-6-18(17)14-30/h3-8,11,20,22,24,27,31H,9-10,12-16H2,1-2H3,(H,28,32)/t20-,22-,24+,27+/m1/s1" ; chebi:inchikey "AJOHYGOUUFRWKL-YDGNWZKSSA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100514" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide" . obo:CHEBI_100515 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C16H28N2O4" ; chebi:inchi "InChI=1S/C16H28N2O4/c1-18-8-12(19)9-21-10-15-14(18)6-5-13(22-15)7-16(20)17-11-3-2-4-11/h11-15,19H,2-10H2,1H3,(H,17,20)/t12-,13-,14-,15+/m0/s1" ; chebi:inchikey "JDRFUATZRDBDCA-ZQDZILKHSA-N" ; chebi:mass "312.405" ; chebi:monoisotopicmass "312.20491" ; chebi:smiles "CN1C[C@@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)NC3CCC3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100515" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_100516 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-9-8-19(11-20(21)23(30)29(3)13-22(15)32-4)28-24(31)27-18-7-5-6-17(25)10-18/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16+,22-/m0/s1" ; chebi:inchikey "WJKSFTDVZIMVMK-DMPWYTOCSA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100516" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100517 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H24N2O4" ; chebi:inchi "InChI=1S/C18H24N2O4/c21-11-16-15(20-18(23)12-6-7-12)9-8-14(24-16)10-17(22)19-13-4-2-1-3-5-13/h1-5,12,14-16,21H,6-11H2,(H,19,22)(H,20,23)/t14-,15-,16+/m1/s1" ; chebi:inchikey "SOYBDXBXTZOLGY-OAGGEKHMSA-N" ; chebi:mass "332.395" ; chebi:monoisotopicmass "332.17361" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CC(=O)NC2=CC=CC=C2)CO)NC(=O)C3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100517" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide" . obo:CHEBI_100518 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-6-9-25(32)29-20-11-12-23-21(14-20)26(33)30(4)16-24(35-5)18(2)15-31(19(3)17-36-23)27(34)22-10-7-8-13-28-22/h7-8,10-14,18-19,24H,6,9,15-17H2,1-5H3,(H,29,32)/t18-,19+,24+/m0/s1" ; chebi:inchikey "ZTXXWNNQGVNFQF-XLNZFTOWSA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100518" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100519 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H34N4O3S" ; chebi:inchi "InChI=1S/C29H34N4O3S/c1-5-7-20-8-6-9-22(16-20)27-26-23(19-33(25(26)12-15-34)37(36)29(2,3)4)17-24(32-27)28(35)31-18-21-10-13-30-14-11-21/h5-11,13-14,16-17,25,34H,12,15,18-19H2,1-4H3,(H,31,35)/t25-,37-/m0/s1" ; chebi:inchikey "DWWWKKNSQALGRT-RSUXDYMJSA-N" ; chebi:mass "518.672" ; chebi:monoisotopicmass "518.23516" ; chebi:smiles "CC=CC1=CC=CC(=C1)C2=C3[C@@H](N(CC3=CC(=N2)C(=O)NCC4=CC=NC=C4)[S@@](=O)C(C)(C)C)CCO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100519" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11893" . obo:CHEBI_10052 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C8H11N4O3R" ; chebi:mass "211.198" ; chebi:monoisotopicmass "211.08312" ; chebi:smiles "N[C@@H]([*])C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10052" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xaa-His" . obo:CHEBI_100520 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H37N3O5" ; chebi:inchi "InChI=1S/C29H37N3O5/c1-18(19-8-4-2-5-9-19)30-27(34)16-22-15-24-23-14-21(32-29(35)31-20-10-6-3-7-11-20)12-13-25(23)37-28(24)26(17-33)36-22/h2,4-5,8-9,12-14,18,20,22,24,26,28,33H,3,6-7,10-11,15-17H2,1H3,(H,30,34)(H2,31,32,35)/t18-,22+,24-,26-,28+/m0/s1" ; chebi:inchikey "CGDALBMFLMENHX-UKPIWMLRSA-N" ; chebi:mass "507.622" ; chebi:monoisotopicmass "507.27332" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100520" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100521 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24+,25+,31-/m1/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-AOHZZOSCSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100521" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11895" . obo:CHEBI_100522 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-24-5-3-2-4-17(24)15-30-27(33)14-20-13-23-22-12-19(8-11-25(22)38-28(23)26(16-32)37-20)31-39(34,35)21-9-6-18(29)7-10-21/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23-,26+,28+/m0/s1" ; chebi:inchikey "CRNISVWSFUFTQR-QUPYCJFYSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100522" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100523 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H26F3N3O3" ; chebi:inchi "InChI=1S/C23H26F3N3O3/c1-27(2)22(32)20-17(13-30)16-12-29-18(19(16)28(20)11-10-23(24,25)26)9-8-15(21(29)31)14-6-4-3-5-7-14/h3-9,16-17,19-20,30H,10-13H2,1-2H3/t16-,17-,19+,20-/m0/s1" ; chebi:inchikey "LSVFVIWAXGKISN-XEYPJELSSA-N" ; chebi:mass "449.467" ; chebi:monoisotopicmass "449.19263" ; chebi:smiles "CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]2N1CCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100523" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-phenyl-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100524 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18-,20+,22+,25-/m1/s1" ; chebi:inchikey "ALLGXHRZPBERLG-PJJGQHEOSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100524" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100525 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H30N4O4S" ; chebi:inchi "InChI=1S/C19H30N4O4S/c24-13-16-15(21-17(25)6-10-23-8-2-1-3-9-23)5-4-14(27-16)12-18(26)22-19-20-7-11-28-19/h7,11,14-16,24H,1-6,8-10,12-13H2,(H,21,25)(H,20,22,26)/t14-,15-,16+/m0/s1" ; chebi:inchikey "IZCYNDJXNVTGPG-HRCADAONSA-N" ; chebi:mass "410.533" ; chebi:monoisotopicmass "410.19878" ; chebi:smiles "C1CCN(CC1)CCC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100525" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_100526 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H35N3O7S" ; chebi:inchi "InChI=1S/C31H35N3O7S/c1-20-8-12-24(13-9-20)42(37,38)33-22-10-15-28-25(16-22)31(36)34(2)26-14-11-23(41-29(26)19-40-28)17-30(35)32-18-21-6-4-5-7-27(21)39-3/h4-10,12-13,15-16,23,26,29,33H,11,14,17-19H2,1-3H3,(H,32,35)/t23-,26+,29+/m0/s1" ; chebi:inchikey "GYVRMNXHBKDJFJ-SCWLSEGGSA-N" ; chebi:mass "593.693" ; chebi:monoisotopicmass "593.21957" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@H](O4)CC(=O)NCC5=CC=CC=C5OC)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100526" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100527 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C33H31FN2O7S" ; chebi:inchi "InChI=1S/C33H31FN2O7S/c34-22-8-13-27(14-9-22)44(39,40)36-23-10-15-30-28(16-23)29-17-26(42-31(20-37)33(29)43-30)18-32(38)35-19-21-6-11-25(12-7-21)41-24-4-2-1-3-5-24/h1-16,26,29,31,33,36-37H,17-20H2,(H,35,38)/t26-,29-,31+,33+/m1/s1" ; chebi:inchikey "BHEWHBNGLCOXBN-IFFLXBFKSA-N" ; chebi:mass "618.674" ; chebi:monoisotopicmass "618.18360" ; chebi:smiles "C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100527" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_100528 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O5" ; chebi:inchi "InChI=1S/C25H33N3O5/c1-16-13-26-17(2)15-33-22-10-9-19(12-21(22)25(30)28(3)14-23(16)32-5)27-24(29)18-7-6-8-20(11-18)31-4/h6-12,16-17,23,26H,13-15H2,1-5H3,(H,27,29)/t16-,17+,23-/m1/s1" ; chebi:inchikey "OOHQDHOXZWVAAU-SAHWJRBASA-N" ; chebi:mass "455.548" ; chebi:monoisotopicmass "455.24202" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100528" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100529 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_15705 ; chebi:charge "0" ; chebi:formula "C28H26N2O6" ; chebi:inchi "InChI=1S/C28H26N2O6/c31-15-21-20-14-29-22(10-9-19(27(29)32)8-6-17-4-2-1-3-5-17)25(20)30(26(21)28(33)34)13-18-7-11-23-24(12-18)36-16-35-23/h1-12,20-21,25-26,31H,13-16H2,(H,33,34)/t20-,21-,25+,26-/m0/s1" ; chebi:inchikey "JUBZNFCZFZOAAP-MSNAGZIKSA-N" ; chebi:mass "486.517" ; chebi:monoisotopicmass "486.17909" ; chebi:smiles "C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=C(C(=O)N31)C=CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6)C(=O)O)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100529" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11903" . obo:CHEBI_10053 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C8H16N3O3R" ; chebi:mass "202.231" ; chebi:monoisotopicmass "202.11917" ; chebi:smiles "NCCCC[C@H](NC(=O)[C@@H](N)[*])C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10053" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xaa-Lys" . obo:CHEBI_100530 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30F2N2O5S" ; chebi:inchi "InChI=1S/C23H30F2N2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17+,22+/m1/s1" ; chebi:inchikey "PIEMZAFCKVBYBS-JLHGSKIFSA-N" ; chebi:mass "484.558" ; chebi:monoisotopicmass "484.18435" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100530" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_100531 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-28-23(16-21(36-25)17-26(34)30-10-13-32-11-2-1-3-12-32)22-15-20(4-5-24(22)37-28)31-27(35)14-19-6-8-29-9-7-19/h4-9,15,21,23,25,28,33H,1-3,10-14,16-18H2,(H,30,34)(H,31,35)/t21-,23+,25-,28-/m0/s1" ; chebi:inchikey "FBZDSUDTYUQYGJ-JWVZEJEHSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100531" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100532 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H27N3O4" ; chebi:inchi "InChI=1S/C25H27N3O4/c1-15(30)28-22-19(20(14-29)23(28)24(31)26-17-9-3-2-4-10-17)13-27-21(22)12-11-18(25(27)32)16-7-5-6-8-16/h2-4,7,9-12,19-20,22-23,29H,5-6,8,13-14H2,1H3,(H,26,31)/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "CIRAGUKJUQGHED-RLBLXZPPSA-N" ; chebi:mass "433.501" ; chebi:monoisotopicmass "433.20016" ; chebi:smiles "CC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CCCC4)[C@@H]([C@H]1C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100532" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-acetyl-7-(1-cyclopentenyl)-3-(hydroxymethyl)-6-oxo-N-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100533 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33ClN2O6S2" ; chebi:inchi "InChI=1S/C23H33ClN2O6S2/c1-17-9-11-21(12-10-17)33(28,29)25(4)15-23(32-5)18(2)14-26(19(3)16-27)34(30,31)22-8-6-7-20(24)13-22/h6-13,18-19,23,27H,14-16H2,1-5H3/t18-,19-,23-/m0/s1" ; chebi:inchikey "FYUSSFRUYFLLAK-YDHSSHFGSA-N" ; chebi:mass "533.104" ; chebi:monoisotopicmass "532.14686" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@@H](C)CN([C@@H](C)CO)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100533" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide" . obo:CHEBI_100534 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26N4O5S" ; chebi:inchi "InChI=1S/C20H26N4O5S/c1-14-3-2-4-16(11-14)30(27,28)24-17-6-5-15(29-19(17)13-25)7-8-23-20(26)18-12-21-9-10-22-18/h2-4,9-12,15,17,19,24-25H,5-8,13H2,1H3,(H,23,26)/t15-,17+,19-/m1/s1" ; chebi:inchikey "LUVVHBIYDBULDN-HHXXYDBFSA-N" ; chebi:mass "434.511" ; chebi:monoisotopicmass "434.16239" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)C3=NC=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100534" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_100535 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H35N3O6S" ; chebi:inchi "InChI=1S/C23H35N3O6S/c1-17-5-3-4-6-22(17)33(29,30)26-14-18(27)15-31-16-21-20(26)8-7-19(32-21)13-23(28)25-11-9-24(2)10-12-25/h3-6,18-21,27H,7-16H2,1-2H3/t18-,19+,20-,21+/m1/s1" ; chebi:inchikey "AEYAMMVRWLJFNH-MHTWAQMVSA-N" ; chebi:mass "481.607" ; chebi:monoisotopicmass "481.22466" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N4CCN(CC4)C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100535" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_100536 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30F2N4O4" ; chebi:inchi "InChI=1S/C24H30F2N4O4/c1-14-11-27-15(2)13-34-21-8-6-17(10-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-20-9-16(25)5-7-19(20)26/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15-,22+/m0/s1" ; chebi:inchikey "KJNJKXAQFIYZGQ-AYSMAOOMSA-N" ; chebi:mass "476.517" ; chebi:monoisotopicmass "476.22351" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100536" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100537 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C34H36F2N4O5" ; chebi:inchi "InChI=1S/C34H36F2N4O5/c1-39-29-11-9-25(17-32(41)37-24-13-14-40(19-24)18-21-5-3-2-4-6-21)45-31(29)20-44-30-12-8-23(16-26(30)34(39)43)38-33(42)22-7-10-27(35)28(36)15-22/h2-8,10,12,15-16,24-25,29,31H,9,11,13-14,17-20H2,1H3,(H,37,41)(H,38,42)/t24-,25-,29+,31+/m0/s1" ; chebi:inchikey "UWMJOJNRDSZDAZ-KRDKWYSMSA-N" ; chebi:mass "618.672" ; chebi:monoisotopicmass "618.26538" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100537" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_100538 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H36F3N3O4" ; chebi:inchi "InChI=1S/C30H36F3N3O4/c1-19-15-36(20(2)17-37)29(39)28-27(23-11-7-8-12-24(23)35(28)4)22-10-6-5-9-21(22)18-40-25(19)16-34(3)26(38)13-14-30(31,32)33/h5-12,19-20,25,37H,13-18H2,1-4H3/t19-,20+,25-/m1/s1" ; chebi:inchikey "RDYUFLZMPZQAJV-OHUGHZGNSA-N" ; chebi:mass "559.621" ; chebi:monoisotopicmass "559.26579" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100538" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11912" . obo:CHEBI_100539 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-30-25-22(23(19-33)26(30)27(34)29-12-5-13-31-14-16-36-17-15-31)18-32-24(25)11-10-21(28(32)35)9-8-20-6-3-2-4-7-20/h2-4,6-11,22-23,25-26,33H,5,12-19H2,1H3,(H,29,34)/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "LTCABXOBQOXXRS-LJCOXQHRSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "CN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]([C@H]1C(=O)NCCCN5CCOCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100539" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11913" . obo:CHEBI_10054 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C7H14N3O3R" ; chebi:mass "188.205" ; chebi:monoisotopicmass "188.10352" ; chebi:smiles "NCCC[C@H](NC(=O)[C@@H](N)[*])C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10054" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xaa-ornithine" . obo:CHEBI_100540 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H29F2N3O5" ; chebi:inchi "InChI=1S/C25H29F2N3O5/c1-30(2)12-24(33)29-16-4-6-21-18(8-16)19-9-17(34-22(13-31)25(19)35-21)10-23(32)28-11-14-7-15(26)3-5-20(14)27/h3-8,17,19,22,25,31H,9-13H2,1-2H3,(H,28,32)(H,29,33)/t17-,19+,22+,25-/m0/s1" ; chebi:inchikey "PTZKUMYBXIPSAJ-MNUQHFOJSA-N" ; chebi:mass "489.513" ; chebi:monoisotopicmass "489.20753" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100540" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_100541 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H33N3O7S" ; chebi:inchi "InChI=1S/C21H33N3O7S/c1-14-10-24(20(25)13-29-4)15(2)12-31-18-9-16(22-32(6,27)28)7-8-17(18)21(26)23(3)11-19(14)30-5/h7-9,14-15,19,22H,10-13H2,1-6H3/t14-,15-,19+/m0/s1" ; chebi:inchikey "ALCDIEWMKTXBKO-YZVOILCLSA-N" ; chebi:mass "471.570" ; chebi:monoisotopicmass "471.20392" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100541" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_100542 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23665 ; rdfs:subClassOf obo:CHEBI_50996 ; chebi:charge "0" ; chebi:formula "C33H41N5O5" ; chebi:inchi "InChI=1S/C33H41N5O5/c1-23-19-38(24(2)21-39)32(40)29-11-7-6-10-28(29)27-9-5-4-8-25(27)22-43-30(23)20-36(3)33(41)35-26-12-13-34-31(18-26)37-14-16-42-17-15-37/h4-13,18,23-24,30,39H,14-17,19-22H2,1-3H3,(H,34,35,41)/t23-,24+,30+/m0/s1" ; chebi:inchikey "IOQJCBWFRPGQBJ-FVBCXUTKSA-N" ; chebi:mass "587.710" ; chebi:monoisotopicmass "587.31077" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC(=NC=C4)N5CCOCC5)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100542" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11916" . obo:CHEBI_100543 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-17(2)27(33)30-19-7-12-24-22(13-19)28(34)31(3)23-11-10-21(37-25(23)16-36-24)14-26(32)29-15-18-5-8-20(35-4)9-6-18/h5-9,12-13,17,21,23,25H,10-11,14-16H2,1-4H3,(H,29,32)(H,30,33)/t21-,23+,25+/m1/s1" ; chebi:inchikey "WOMWNJCZYVCUPK-VTZPFEBOSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)OC)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100543" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide" . obo:CHEBI_100544 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O6S" ; chebi:inchi "InChI=1S/C22H32N4O6S/c1-13-10-23-14(2)12-31-19-8-7-17(9-18(19)22(27)26(5)11-20(13)30-6)25-33(28,29)21-15(3)24-32-16(21)4/h7-9,13-14,20,23,25H,10-12H2,1-6H3/t13-,14+,20-/m1/s1" ; chebi:inchikey "LINNEEFEDHMFDS-LAPQFRIASA-N" ; chebi:mass "480.580" ; chebi:monoisotopicmass "480.20426" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100544" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3,5-dimethyl-4-isoxazolesulfonamide" . obo:CHEBI_100545 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-15-8-9-16-29(28)35(32)4)27-14-7-6-11-24(27)21-42-30(22)19-34(3)43(39,40)26-13-10-12-25(17-26)41-5/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23-,30+/m0/s1" ; chebi:inchikey "ZFRPCBGONKGXGW-ZTNZZFSWSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100545" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11919" . obo:CHEBI_100546 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H32F3N3O3" ; chebi:inchi "InChI=1S/C24H32F3N3O3/c1-16(23(33-4)14-29(3)13-18-11-20(26)7-10-22(18)27)12-30(17(2)15-31)24(32)28-21-8-5-19(25)6-9-21/h5-11,16-17,23,31H,12-15H2,1-4H3,(H,28,32)/t16-,17-,23+/m1/s1" ; chebi:inchikey "FEKMHVLVYAIVTJ-QZMQVMSPSA-N" ; chebi:mass "467.525" ; chebi:monoisotopicmass "467.23958" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100546" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100547 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29N3O7S" ; chebi:inchi "InChI=1S/C21H29N3O7S/c1-23-17-5-4-15(12-20(25)24-7-9-29-10-8-24)31-19(17)13-30-18-6-3-14(22-32(2,27)28)11-16(18)21(23)26/h3,6,11,15,17,19,22H,4-5,7-10,12-13H2,1-2H3/t15-,17-,19-/m0/s1" ; chebi:inchikey "VPEDYPFQYJVQKE-IEZWGBDMSA-N" ; chebi:mass "467.538" ; chebi:monoisotopicmass "467.17262" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)N4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100547" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]methanesulfonamide" . obo:CHEBI_100548 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C28H37N3O7S" ; chebi:inchi "InChI=1S/C28H37N3O7S/c1-36-23-8-5-9-25(16-23)39(34,35)31-18-22(32)19-37-20-27-26(31)11-10-24(38-27)17-28(33)30-14-12-29(13-15-30)21-6-3-2-4-7-21/h2-9,16,22,24,26-27,32H,10-15,17-20H2,1H3/t22-,24+,26-,27+/m1/s1" ; chebi:inchikey "JIBJCGLYXNSLDN-QHGFWFBMSA-N" ; chebi:mass "559.676" ; chebi:monoisotopicmass "559.23522" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100548" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_100549 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-35-26-12-11-23(17-30(36)33-22-14-19-6-2-3-7-20(19)15-22)41-28(26)18-40-27-13-10-21(16-24(27)31(35)37)34-42(38,39)29-9-5-4-8-25(29)32/h2-10,13,16,22-23,26,28,34H,11-12,14-15,17-18H2,1H3,(H,33,36)/t23-,26+,28+/m0/s1" ; chebi:inchikey "WCNQFBRPFNRKRV-DANFDKMISA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100549" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_10055 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38785 ; chebi:charge "0" ; chebi:formula "C16H25N3O5" ; chebi:inchi "InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)" ; chebi:inchikey "DXPOSRCHIDYWHW-UHFFFAOYSA-N" ; chebi:mass "339.387" ; chebi:monoisotopicmass "339.17942" ; chebi:smiles "OC(CNCCNC(=O)N1CCOCC1)COc1ccc(O)cc1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10055" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xamoterol" . obo:CHEBI_100550 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F5N3O3" ; chebi:inchi "InChI=1S/C25H32F5N3O3/c1-16(23(36-4)14-32(3)13-18-11-20(26)7-10-22(18)27)12-33(17(2)15-34)24(35)31-21-8-5-19(6-9-21)25(28,29)30/h5-11,16-17,23,34H,12-15H2,1-4H3,(H,31,35)/t16-,17-,23-/m1/s1" ; chebi:inchikey "JTIGHJUHEGWKGG-SEPYTNNBSA-N" ; chebi:mass "517.533" ; chebi:monoisotopicmass "517.23638" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100550" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_100551 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O7" ; chebi:inchi "InChI=1S/C28H34N2O7/c1-34-23-5-3-2-4-18(23)15-29-26(32)14-20-13-22-21-12-19(30-28(33)17-8-10-35-11-9-17)6-7-24(21)37-27(22)25(16-31)36-20/h2-7,12,17,20,22,25,27,31H,8-11,13-16H2,1H3,(H,29,32)(H,30,33)/t20-,22+,25+,27-/m1/s1" ; chebi:inchikey "FSAONXZLMNAVLZ-ISSPKVJFSA-N" ; chebi:mass "510.580" ; chebi:monoisotopicmass "510.23660" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100551" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100552 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N5O5S" ; chebi:inchi "InChI=1S/C25H37N5O5S/c1-17-11-30(12-19-6-7-19)18(2)15-35-22-9-8-20(27-36(32,33)24-14-28(3)16-26-24)10-21(22)25(31)29(4)13-23(17)34-5/h8-10,14,16-19,23,27H,6-7,11-13,15H2,1-5H3/t17-,18-,23-/m0/s1" ; chebi:inchikey "QARSUPNDRVVANH-BSRJHKFKSA-N" ; chebi:mass "519.659" ; chebi:monoisotopicmass "519.25154" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100552" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_100553 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H33N3O5" ; chebi:inchi "InChI=1S/C18H33N3O5/c1-25-10-9-19-17(23)11-14-7-8-15(16(12-22)26-14)21-18(24)20-13-5-3-2-4-6-13/h13-16,22H,2-12H2,1H3,(H,19,23)(H2,20,21,24)/t14-,15-,16+/m0/s1" ; chebi:inchikey "LJTZBZLXVQJQJX-HRCADAONSA-N" ; chebi:mass "371.472" ; chebi:monoisotopicmass "371.24202" ; chebi:smiles "COCCNC(=O)C[C@@H]1CC[C@@H]([C@H](O1)CO)NC(=O)NC2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100553" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_100554 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C30H36FN3O5" ; chebi:inchi "InChI=1S/C30H36FN3O5/c1-34-25-13-12-22(16-28(35)32-17-20-9-5-6-10-24(20)31)39-27(25)18-38-26-14-11-21(15-23(26)30(34)37)33-29(36)19-7-3-2-4-8-19/h5-6,9-11,14-15,19,22,25,27H,2-4,7-8,12-13,16-18H2,1H3,(H,32,35)(H,33,36)/t22-,25-,27+/m1/s1" ; chebi:inchikey "CEZHWMAQWNYMAY-JBBQQGGESA-N" ; chebi:mass "537.623" ; chebi:monoisotopicmass "537.26390" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCCCC4)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100554" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclohexanecarboxamide" . obo:CHEBI_100555 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H36N4O6" ; chebi:inchi "InChI=1S/C32H36N4O6/c1-36-27-13-12-25(19-30(37)33-16-15-21-7-4-3-5-8-21)42-29(27)20-41-28-14-11-23(18-26(28)31(36)38)35-32(39)34-22-9-6-10-24(17-22)40-2/h3-11,14,17-18,25,27,29H,12-13,15-16,19-20H2,1-2H3,(H,33,37)(H2,34,35,39)/t25-,27-,29-/m1/s1" ; chebi:inchikey "UEIQSFPBDLFQGU-ONDZYYNLSA-N" ; chebi:mass "572.653" ; chebi:monoisotopicmass "572.26348" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)OC)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100555" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_100556 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H36N4O6" ; chebi:inchi "InChI=1S/C29H36N4O6/c1-33-24-4-3-22(17-27(34)31-13-8-19-6-11-30-12-7-19)39-26(24)18-38-25-5-2-21(16-23(25)29(33)36)32-28(35)20-9-14-37-15-10-20/h2,5-7,11-12,16,20,22,24,26H,3-4,8-10,13-15,17-18H2,1H3,(H,31,34)(H,32,35)/t22-,24-,26+/m0/s1" ; chebi:inchikey "XUZKWORPTAYLRR-LLZJGCNPSA-N" ; chebi:mass "536.620" ; chebi:monoisotopicmass "536.26348" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100556" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_100557 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N3O4" ; chebi:inchi "InChI=1S/C22H32F3N3O4/c1-14(19(32-4)12-27(3)20(30)16-5-6-16)11-28(15(2)13-29)21(31)26-18-9-7-17(8-10-18)22(23,24)25/h7-10,14-16,19,29H,5-6,11-13H2,1-4H3,(H,26,31)/t14-,15+,19+/m1/s1" ; chebi:inchikey "GUZASBNVYSIPQO-VCBZYWHSSA-N" ; chebi:mass "459.503" ; chebi:monoisotopicmass "459.23449" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)C(=O)C2CC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100557" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide" . obo:CHEBI_100558 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H34FN3O5" ; chebi:inchi "InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18-,24+/m0/s1" ; chebi:inchikey "DMFJOGMIMQDBLX-LLJLJFOGSA-N" ; chebi:mass "475.554" ; chebi:monoisotopicmass "475.24825" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100558" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100559 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O5" ; chebi:inchi "InChI=1S/C19H32N2O5/c1-20(2)18(23)9-15-7-8-16-17(26-15)12-25-11-14(22)10-21(16)19(24)13-5-3-4-6-13/h13-17,22H,3-12H2,1-2H3/t14-,15+,16-,17+/m1/s1" ; chebi:inchikey "XUIBJKJBLJUMMA-TWMKSMIVSA-N" ; chebi:mass "368.469" ; chebi:monoisotopicmass "368.23112" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)C3CCCC3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100559" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_10056 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26921 ; rdfs:subClassOf obo:CHEBI_38099 . _:b76 rdf:type owl:Restriction . obo:CHEBI_10056 rdfs:subClassOf _:b76 . _:b76 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35941 . _:b77 rdf:type owl:Restriction . obo:CHEBI_10056 rdfs:subClassOf _:b77 . _:b77 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_38325 . obo:CHEBI_10056 chebi:charge "0" ; chebi:formula "C14H23N3OS" ; chebi:inchi "InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3" ; chebi:inchikey "JOLJIIDDOBNFHW-UHFFFAOYSA-N" ; chebi:mass "281.41700" ; chebi:monoisotopicmass "281.15618" ; chebi:smiles "CCCCCCOc1nsnc1C1=CCCN(C)C1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10056" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "xanomeline" . obo:CHEBI_100560 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H34FN3O5" ; chebi:inchi "InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18+,24-/m0/s1" ; chebi:inchikey "DMFJOGMIMQDBLX-RHGYRFJNSA-N" ; chebi:mass "475.554" ; chebi:monoisotopicmass "475.24825" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100560" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100561 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H26F5N3O5" ; chebi:inchi "InChI=1S/C29H26F5N3O5/c30-17-3-7-23(31)15(9-17)13-35-26(39)12-20-11-22-21-10-19(6-8-24(21)42-27(22)25(14-38)41-20)37-28(40)36-18-4-1-16(2-5-18)29(32,33)34/h1-10,20,22,25,27,38H,11-14H2,(H,35,39)(H2,36,37,40)/t20-,22+,25-,27-/m0/s1" ; chebi:inchikey "ZUHKGHKDCFDVCR-BUZLNKNLSA-N" ; chebi:mass "591.527" ; chebi:monoisotopicmass "591.17926" ; chebi:smiles "C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100561" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_100562 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c1-14-2-7-17(8-3-14)28(25,26)21-11-10-16-6-9-18(19(13-23)27-16)22-20(24)12-15-4-5-15/h2-3,7-8,15-16,18-19,21,23H,4-6,9-13H2,1H3,(H,22,24)/t16-,18-,19-/m1/s1" ; chebi:inchikey "VPHPWASIVZFRRJ-BHIYHBOVSA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NCC[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)CC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100562" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-cyclopropyl-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]acetamide" . obo:CHEBI_100563 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23+,24+,30+/m0/s1" ; chebi:inchikey "VTQGPDBOURHJNB-QXFFIUSXSA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100563" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11937" . obo:CHEBI_100564 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H35F3N4O3" ; chebi:inchi "InChI=1S/C25H35F3N4O3/c1-30(2)12-5-11-29-23(34)22-19(15-33)18-14-32-20(21(18)31(22)13-10-25(26,27)28)9-8-17(24(32)35)16-6-3-4-7-16/h6,8-9,18-19,21-22,33H,3-5,7,10-15H2,1-2H3,(H,29,34)/t18-,19-,21+,22-/m1/s1" ; chebi:inchikey "VFQPYNAQKZTJPV-KRXUUXHPSA-N" ; chebi:mass "496.567" ; chebi:monoisotopicmass "496.26613" ; chebi:smiles "CN(C)CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@H]2N1CCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100564" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100565 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O6" ; chebi:inchi "InChI=1S/C28H29N3O6/c1-35-23-7-3-2-5-17(23)15-30-26(33)13-20-12-22-21-11-19(31-28(34)18-6-4-10-29-14-18)8-9-24(21)37-27(22)25(16-32)36-20/h2-11,14,20,22,25,27,32H,12-13,15-16H2,1H3,(H,30,33)(H,31,34)/t20-,22-,25-,27+/m1/s1" ; chebi:inchikey "FJJBSMMGLKBUIQ-GKYRZQBGSA-N" ; chebi:mass "503.547" ; chebi:monoisotopicmass "503.20564" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100565" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100566 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H25N3O5" ; chebi:inchi "InChI=1S/C22H25N3O5/c1-25(2)20(27)10-15-9-17-16-8-14(24-22(28)13-4-3-7-23-11-13)5-6-18(16)30-21(17)19(12-26)29-15/h3-8,11,15,17,19,21,26H,9-10,12H2,1-2H3,(H,24,28)/t15-,17-,19-,21+/m0/s1" ; chebi:inchikey "IUZUJTQXZTXMFN-WRGRXTPVSA-N" ; chebi:mass "411.452" ; chebi:monoisotopicmass "411.17942" ; chebi:smiles "CN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100566" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100567 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H42N4O4" ; chebi:inchi "InChI=1S/C31H42N4O4/c1-21-17-35(22(2)19-36)31(38)30-29(25-13-9-10-14-26(25)34(30)6)24-12-8-7-11-23(24)20-39-27(21)18-33(5)28(37)15-16-32(3)4/h7-14,21-22,27,36H,15-20H2,1-6H3/t21-,22+,27+/m0/s1" ; chebi:inchikey "UPHSEAQPRHOHRJ-OREGWCPLSA-N" ; chebi:mass "534.691" ; chebi:monoisotopicmass "534.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCN(C)C)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100567" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11941" . obo:CHEBI_100568 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-39-29(21)18-33(3)31(37)32-24-11-9-12-25(16-24)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22-,29+/m1/s1" ; chebi:inchikey "WYYHNXRAZIWUBG-QLVXXPONSA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100568" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11942" . obo:CHEBI_100569 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H33N5O5S" ; chebi:inchi "InChI=1S/C23H33N5O5S/c1-16-11-28(12-18-9-24-15-25-10-18)17(2)14-33-21-7-6-19(26-34(5,30)31)8-20(21)23(29)27(3)13-22(16)32-4/h6-10,15-17,22,26H,11-14H2,1-5H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "VPVAZUBGKWFEKV-GSHUGGBRSA-N" ; chebi:mass "491.606" ; chebi:monoisotopicmass "491.22024" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100569" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_10057 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36440 . _:b78 rdf:type owl:Restriction . obo:CHEBI_10057 rdfs:subClassOf _:b78 . _:b78 owl:onProperty chebi2:is_tautomer_of ; owl:someValuesFrom obo:CHEBI_36441 . _:b79 rdf:type owl:Restriction . obo:CHEBI_10057 rdfs:subClassOf _:b79 . _:b79 owl:onProperty chebi2:is_tautomer_of ; owl:someValuesFrom obo:CHEBI_36442 . obo:CHEBI_10057 chebi:charge "0" ; chebi:formula "C13H10O" ; chebi:inchi "InChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2" ; chebi:inchikey "GJCOSYZMQJWQCA-UHFFFAOYSA-N" ; chebi:mass "182.218" ; chebi:monoisotopicmass "182.07316" ; chebi:smiles "C1=2C(OC3=CC=CC=C3C1)=CC=CC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10057" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "9H-xanthene" . obo:CHEBI_100570 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H27F3N2O6" ; chebi:inchi "InChI=1S/C22H27F3N2O6/c23-22(24,25)11-26-19(29)9-14-8-16-15-7-13(27-21(30)12-3-5-31-6-4-12)1-2-17(15)33-20(16)18(10-28)32-14/h1-2,7,12,14,16,18,20,28H,3-6,8-11H2,(H,26,29)(H,27,30)/t14-,16-,18-,20+/m0/s1" ; chebi:inchikey "QSBPACLFOOFXHF-PFSLXQJOSA-N" ; chebi:mass "472.456" ; chebi:monoisotopicmass "472.18212" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100570" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100571 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c1-32-24-8-7-22(16-27(33)30-19-4-3-5-21(14-19)36-2)39-26(24)17-38-25-9-6-20(15-23(25)29(32)35)31-28(34)18-10-12-37-13-11-18/h3-6,9,14-15,18,22,24,26H,7-8,10-13,16-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,24-,26+/m0/s1" ; chebi:inchikey "VRPVHEJOGHTQDQ-LLZJGCNPSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100571" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_100572 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H42N4O6" ; chebi:inchi "InChI=1S/C27H42N4O6/c1-6-11-28-27(34)29-21-7-8-22-23(14-21)37-17-19(3)31(25(32)20-9-12-36-13-10-20)15-18(2)24(35-5)16-30(4)26(22)33/h7-8,14,18-20,24H,6,9-13,15-17H2,1-5H3,(H2,28,29,34)/t18-,19-,24-/m0/s1" ; chebi:inchikey "NYJPVGKIWASVOA-JXQFQVJHSA-N" ; chebi:mass "518.647" ; chebi:monoisotopicmass "518.31044" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@H](CO2)C)C(=O)C3CCOCC3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100572" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_100573 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H21N3OS" ; chebi:inchi "InChI=1S/C19H21N3OS/c1-3-5-13-6-8-14(9-7-13)18-16(10-20)22(17(18)11-23)19-21-15(4-2)12-24-19/h3,5-9,12,16-18,23H,4,11H2,1-2H3/t16-,17-,18-/m1/s1" ; chebi:inchikey "SLFKQKCTISPXPS-KZNAEPCWSA-N" ; chebi:mass "339.456" ; chebi:monoisotopicmass "339.14053" ; chebi:smiles "CCC1=CSC(=N1)N2[C@@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C=CC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100573" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11947" . obo:CHEBI_100574 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c1-2-9-26-22(30)12-15-11-17-16-10-14(7-8-20(16)33-23(17)21(13-29)32-15)27-24(31)28-19-6-4-3-5-18(19)25/h3-8,10,15,17,21,23,29H,2,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,17-,21+,23+/m1/s1" ; chebi:inchikey "KFOACEMMMUKWEO-UNXOBOICSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "CCCNC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100574" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_100575 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C30H33FN2O4" ; chebi:inchi "InChI=1S/C30H33FN2O4/c1-20-16-33(21(2)18-34)30(36)27-11-7-6-10-26(27)25-9-5-4-8-23(25)19-37-28(20)17-32(3)29(35)22-12-14-24(31)15-13-22/h4-15,20-21,28,34H,16-19H2,1-3H3/t20-,21+,28+/m0/s1" ; chebi:inchikey "HTGRXZBGTMWDTQ-BALWLHIASA-N" ; chebi:mass "504.594" ; chebi:monoisotopicmass "504.24244" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100575" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11949" . obo:CHEBI_100576 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H48N4O5" ; chebi:inchi "InChI=1S/C35H48N4O5/c1-24-21-39(25(2)23-40)34(41)30-20-28(37(4)5)17-18-32(30)44-26(3)12-9-10-19-43-33(24)22-38(6)35(42)36-31-16-11-14-27-13-7-8-15-29(27)31/h7-8,11,13-18,20,24-26,33,40H,9-10,12,19,21-23H2,1-6H3,(H,36,42)/t24-,25+,26+,33+/m0/s1" ; chebi:inchikey "UBYZDEGPUXBRQE-GJFGOQOUSA-N" ; chebi:mass "604.781" ; chebi:monoisotopicmass "604.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100576" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea" . obo:CHEBI_100577 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C28H33N3O6" ; chebi:inchi "InChI=1S/C28H33N3O6/c1-30-23-9-8-21(14-27(33)31-12-11-18-5-3-4-6-19(18)15-31)37-25(23)16-36-24-10-7-20(13-22(24)28(30)34)29-26(32)17-35-2/h3-7,10,13,21,23,25H,8-9,11-12,14-17H2,1-2H3,(H,29,32)/t21-,23+,25+/m0/s1" ; chebi:inchikey "HUCZTLCWVGQLCW-QQKQFIJSSA-N" ; chebi:mass "507.579" ; chebi:monoisotopicmass "507.23694" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)COC)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100577" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aS)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxyacetamide" . obo:CHEBI_100578 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H29N3O5" ; chebi:inchi "InChI=1S/C29H29N3O5/c33-17-26-28-24(13-22(36-26)14-27(34)32-11-9-18-4-1-2-5-20(18)16-32)23-12-21(7-8-25(23)37-28)31-29(35)19-6-3-10-30-15-19/h1-8,10,12,15,22,24,26,28,33H,9,11,13-14,16-17H2,(H,31,35)/t22-,24+,26-,28-/m1/s1" ; chebi:inchikey "AAXDVORIQTTZBB-UQCMEGJUSA-N" ; chebi:mass "499.559" ; chebi:monoisotopicmass "499.21072" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@@H]4[C@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CN=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100578" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100579 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H37N3O4S" ; chebi:inchi "InChI=1S/C27H37N3O4S/c31-22-16-30(17-26-28-10-13-35-26)24-7-6-23(34-25(24)19-33-18-22)15-27(32)29-11-8-21(9-12-29)14-20-4-2-1-3-5-20/h1-5,10,13,21-25,31H,6-9,11-12,14-19H2/t22-,23-,24+,25-/m1/s1" ; chebi:inchikey "XKLJDQDBSRSGED-ZKGSSEMHSA-N" ; chebi:mass "499.667" ; chebi:monoisotopicmass "499.25048" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100579" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone" . obo:CHEBI_10058 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37667 ; chebi:charge "0" ; chebi:formula "C15H18O3" ; chebi:inchi "InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1" ; chebi:inchikey "RBRPTFMVULVGIC-ZTIIIDENSA-N" ; chebi:mass "246.302" ; chebi:monoisotopicmass "246.12559" ; chebi:smiles "C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1\\C=C\\C(C)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10058" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xanthatin" . obo:CHEBI_100580 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18+,20-,22+,25+/m1/s1" ; chebi:inchikey "ALLGXHRZPBERLG-BOKITCOWSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100580" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100581 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H38N4O5S" ; chebi:inchi "InChI=1S/C27H38N4O5S/c1-18-14-31(16-25-28-9-12-37-25)19(2)17-36-23-13-21(29-26(32)20-7-10-35-11-8-20)5-6-22(23)27(33)30(3)15-24(18)34-4/h5-6,9,12-13,18-20,24H,7-8,10-11,14-17H2,1-4H3,(H,29,32)/t18-,19-,24+/m1/s1" ; chebi:inchikey "FGARXSMYVPQAMN-IECBHUPTSA-N" ; chebi:mass "530.682" ; chebi:monoisotopicmass "530.25629" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=NC=CS4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100581" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_100582 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c31-23-17-30(16-20-2-1-3-22(14-20)21-6-8-28-9-7-21)25-5-4-24(35-26(25)19-34-18-23)15-27(32)29-10-12-33-13-11-29/h1-3,6-9,14,23-26,31H,4-5,10-13,15-19H2/t23-,24+,25-,26+/m0/s1" ; chebi:inchikey "VMOCTUISBGPURH-ROXDYWFKSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=CC=CC(=C3)C4=CC=NC=C4)O)O[C@H]1CC(=O)N5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100582" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone" . obo:CHEBI_100583 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H26Cl2N4O5S" ; chebi:inchi "InChI=1S/C27H26Cl2N4O5S/c1-33-22-6-4-17(10-25(34)30-11-15-2-5-19(28)20(29)8-15)38-24(22)12-37-23-7-3-16(9-18(23)27(33)36)32-26(35)21-13-39-14-31-21/h2-3,5,7-9,13-14,17,22,24H,4,6,10-12H2,1H3,(H,30,34)(H,32,35)/t17-,22+,24-/m0/s1" ; chebi:inchikey "LHGVLKOLCXFJRT-YJGRUCBDSA-N" ; chebi:mass "589.492" ; chebi:monoisotopicmass "588.10010" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CSC=N4)CC(=O)NCC5=CC(=C(C=C5)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100583" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide" . obo:CHEBI_100584 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H33FN4O3" ; chebi:inchi "InChI=1S/C26H33FN4O3/c1-3-10-30-23-19(20(16-32)24(30)26(34)29-13-11-28(2)12-14-29)15-31-22(23)9-8-18(25(31)33)17-6-4-5-7-21(17)27/h4-9,19-20,23-24,32H,3,10-16H2,1-2H3/t19-,20-,23+,24-/m0/s1" ; chebi:inchikey "USYUKGCDRIQXPK-JVODISISSA-N" ; chebi:mass "468.565" ; chebi:monoisotopicmass "468.25367" ; chebi:smiles "CCCN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4F)[C@@H]([C@H]1C(=O)N5CCN(CC5)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100584" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(2-fluorophenyl)-3-(hydroxymethyl)-2-[(4-methyl-1-piperazinyl)-oxomethyl]-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_100585 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O6S" ; chebi:inchi "InChI=1S/C24H37N3O6S/c1-16-13-27(34(5,30)31)17(2)15-33-21-12-19(25-23(28)18-8-6-7-9-18)10-11-20(21)24(29)26(3)14-22(16)32-4/h10-12,16-18,22H,6-9,13-15H2,1-5H3,(H,25,28)/t16-,17+,22+/m1/s1" ; chebi:inchikey "LHVPUDAVHZTECS-JLHGSKIFSA-N" ; chebi:mass "495.634" ; chebi:monoisotopicmass "495.24031" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100585" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_100586 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H39N3O7S" ; chebi:inchi "InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23-,25-,27-,28+/m1/s1" ; chebi:inchikey "IXXIZSABFJAVRH-JGCYXCAYSA-N" ; chebi:mass "573.703" ; chebi:monoisotopicmass "573.25087" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100586" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_100587 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b80 rdf:type owl:Restriction . obo:CHEBI_100587 rdfs:subClassOf _:b80 . _:b80 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_100587 chebi:charge "0" ; chebi:formula "C26H29N3O3" ; chebi:inchi "InChI=1S/C26H29N3O3/c30-14-20-21-13-29-22(10-9-19(26(29)32)15-5-1-2-6-15)24(28-21)23(20)25(31)27-18-11-16-7-3-4-8-17(16)12-18/h3-5,7-10,18,20-21,23-24,28,30H,1-2,6,11-14H2,(H,27,31)/t20-,21-,23+,24+/m0/s1" ; chebi:inchikey "OCQMLVVPVHYQPL-NEUULRRLSA-N" ; chebi:mass "431.528" ; chebi:monoisotopicmass "431.22089" ; chebi:smiles "C1CC=C(C1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4)CN3C2=O)CO)C(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100587" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11961" . obo:CHEBI_100588 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C18H23N3O4" ; chebi:inchi "InChI=1S/C18H23N3O4/c22-11-16-15(21-18(24)13-5-7-19-8-6-13)4-3-14(25-16)9-17(23)20-10-12-1-2-12/h3-8,12,14-16,22H,1-2,9-11H2,(H,20,23)(H,21,24)/t14-,15+,16+/m0/s1" ; chebi:inchikey "UGRHUCUWEJLITN-ARFHVFGLSA-N" ; chebi:mass "345.394" ; chebi:monoisotopicmass "345.16886" ; chebi:smiles "C1CC1CNC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100588" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_100589 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H34N2O6S" ; chebi:inchi "InChI=1S/C30H34N2O6S/c1-21-6-5-9-27(16-21)39(35,36)32-18-25(33)19-37-20-29-28(32)15-14-26(38-29)17-30(34)31-24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-13,16,25-26,28-29,33H,14-15,17-20H2,1H3,(H,31,34)/t25-,26-,28+,29-/m1/s1" ; chebi:inchikey "LOPBZILAZMWERO-PPTZAKONSA-N" ; chebi:mass "550.668" ; chebi:monoisotopicmass "550.21376" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100589" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_10059 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17712 ; owl:deprecated true . obo:CHEBI_100590 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35F2N3O4" ; chebi:inchi "InChI=1S/C28H35F2N3O4/c1-17-13-33(14-20-11-21(29)7-10-24(20)30)18(2)16-37-25-12-22(31-27(34)19-5-6-19)8-9-23(25)28(35)32(3)15-26(17)36-4/h7-12,17-19,26H,5-6,13-16H2,1-4H3,(H,31,34)/t17-,18-,26+/m1/s1" ; chebi:inchikey "MHGGQJRIOQBKBK-KABRZNFWSA-N" ; chebi:mass "515.593" ; chebi:monoisotopicmass "515.25956" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100590" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(2,5-difluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_100591 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C26H28N4O3" ; chebi:inchi "InChI=1S/C26H28N4O3/c1-29-22-15-30-21(10-9-19(26(30)33)18-8-5-12-27-14-18)24(29)23(20(22)16-31)25(32)28-13-11-17-6-3-2-4-7-17/h2-10,12,14,20,22-24,31H,11,13,15-16H2,1H3,(H,28,32)/t20-,22-,23+,24+/m0/s1" ; chebi:inchikey "MSLHGMMBDZHUMV-IQFVJIFQSA-N" ; chebi:mass "444.527" ; chebi:monoisotopicmass "444.21614" ; chebi:smiles "CN1[C@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100591" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11965" . obo:CHEBI_100592 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C26H35N5O4" ; chebi:inchi "InChI=1S/C26H35N5O4/c1-29(2)11-5-10-27-25(33)23-20(14-32)22-13-31-21(24(23)30(22)12-18-15-35-16-28-18)9-8-19(26(31)34)17-6-3-4-7-17/h6,8-9,15-16,20,22-24,32H,3-5,7,10-14H2,1-2H3,(H,27,33)/t20-,22-,23+,24+/m0/s1" ; chebi:inchikey "GJSDPDSQBZFABN-IQFVJIFQSA-N" ; chebi:mass "481.588" ; chebi:monoisotopicmass "481.26890" ; chebi:smiles "CN(C)CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@H]1N2CC5=COC=N5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100592" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11966" . obo:CHEBI_100593 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H20FNO6S" ; chebi:inchi "InChI=1S/C15H20FNO6S/c1-22-15(19)8-10-6-7-12(13(9-18)23-10)17-24(20,21)14-5-3-2-4-11(14)16/h2-5,10,12-13,17-18H,6-9H2,1H3/t10-,12-,13+/m1/s1" ; chebi:inchikey "OBZPPVVKYJWSJI-RTXFEEFZSA-N" ; chebi:mass "361.387" ; chebi:monoisotopicmass "361.09954" ; chebi:smiles "COC(=O)C[C@H]1CC[C@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100593" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester" . obo:CHEBI_100594 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H26F2N2O7" ; chebi:inchi "InChI=1S/C29H26F2N2O7/c30-17-2-4-22(31)16(7-17)12-32-27(35)11-19-10-21-20-9-18(3-6-23(20)40-28(21)26(13-34)39-19)33-29(36)15-1-5-24-25(8-15)38-14-37-24/h1-9,19,21,26,28,34H,10-14H2,(H,32,35)(H,33,36)/t19-,21+,26+,28-/m1/s1" ; chebi:inchikey "JRAPIMFHFBSUKE-GGUBSOLTSA-N" ; chebi:mass "552.524" ; chebi:monoisotopicmass "552.17081" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=C(C=CC(=C6)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100594" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100595 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C29H32ClN5O6" ; chebi:inchi "InChI=1S/C29H32ClN5O6/c1-16-27(17(2)41-34-16)33-29(38)32-20-8-11-24-22(12-20)28(37)35(3)23-10-9-21(40-25(23)15-39-24)13-26(36)31-14-18-4-6-19(30)7-5-18/h4-8,11-12,21,23,25H,9-10,13-15H2,1-3H3,(H,31,36)(H2,32,33,38)/t21-,23+,25-/m0/s1" ; chebi:inchikey "VDMGESCZGFUZFC-PWWKTKHKSA-N" ; chebi:mass "582.048" ; chebi:monoisotopicmass "581.20411" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@H](O4)CC(=O)NCC5=CC=C(C=C5)Cl)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100595" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100596 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H25N3O3" ; chebi:inchi "InChI=1S/C22H25N3O3/c1-24(2)13-21(27)25-18(12-23)22(19(25)14-26)16-10-8-15(9-11-16)17-6-4-5-7-20(17)28-3/h4-11,18-19,22,26H,13-14H2,1-3H3/t18-,19+,22-/m0/s1" ; chebi:inchikey "IQHJIJSRQPJLPZ-JQVVWYNYSA-N" ; chebi:mass "379.453" ; chebi:monoisotopicmass "379.18959" ; chebi:smiles "CN(C)CC(=O)N1[C@@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100596" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_100597 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-16-32(21(2)18-33)28(34)25-13-8-7-12-24(25)23-11-6-5-10-22(23)19-36-27(20)17-31(4)29(35)26-14-9-15-30(26)3/h5-8,10-13,20-21,26-27,33H,9,14-19H2,1-4H3/t20-,21+,26-,27+/m1/s1" ; chebi:inchikey "PIMBJQHAALXIRA-GOFZDKTCSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H]4CCCN4C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100597" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11971" . obo:CHEBI_100598 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C22H28FN3O5" ; chebi:inchi "InChI=1S/C22H28FN3O5/c23-16-3-1-2-15(6-16)8-24-22(28)7-19-4-5-20-21(31-19)13-29-12-18(27)10-26(20)9-17-11-30-14-25-17/h1-3,6,11,14,18-21,27H,4-5,7-10,12-13H2,(H,24,28)/t18-,19-,20+,21-/m1/s1" ; chebi:inchikey "ZRFCXMMZEGBTOS-MXEMCNAFSA-N" ; chebi:mass "433.474" ; chebi:monoisotopicmass "433.20130" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=COC=N3)O)O[C@H]1CC(=O)NCC4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100598" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-oxazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_100599 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C20H22FN3O3" ; chebi:inchi "InChI=1S/C20H22FN3O3/c1-23(2)20(27)18-15(10-25)14-9-24-16(17(14)22-18)8-7-13(19(24)26)11-3-5-12(21)6-4-11/h3-8,14-15,17-18,22,25H,9-10H2,1-2H3/t14-,15-,17+,18-/m1/s1" ; chebi:inchikey "HRNJAQRGDGXKJI-XYVMCAHJSA-N" ; chebi:mass "371.406" ; chebi:monoisotopicmass "371.16452" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]2N1)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100599" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_1006 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28370 ; owl:deprecated true . obo:CHEBI_10060 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_30881 ; owl:deprecated true . obo:CHEBI_100600 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30F3N3O5" ; chebi:inchi "InChI=1S/C31H30F3N3O5/c32-31(33,34)20-5-7-21(8-6-20)35-30(40)36-22-9-10-26-24(13-22)25-14-23(41-27(17-38)29(25)42-26)15-28(39)37-12-11-18-3-1-2-4-19(18)16-37/h1-10,13,23,25,27,29,38H,11-12,14-17H2,(H2,35,36,40)/t23-,25+,27-,29-/m0/s1" ; chebi:inchikey "HHNPVBFCYHNCMG-KLPDMWAPSA-N" ; chebi:mass "581.583" ; chebi:monoisotopicmass "581.21376" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)NC6=CC=C(C=C6)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100600" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_100601 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H34N2O6" ; chebi:inchi "InChI=1S/C29H34N2O6/c32-17-26-28-24(14-22(36-26)15-27(33)31-10-7-18-3-1-2-4-20(18)16-31)23-13-21(5-6-25(23)37-28)30-29(34)19-8-11-35-12-9-19/h1-6,13,19,22,24,26,28,32H,7-12,14-17H2,(H,30,34)/t22-,24+,26+,28-/m0/s1" ; chebi:inchikey "AJGJMULVCJFZBU-XABOBXATSA-N" ; chebi:mass "506.591" ; chebi:monoisotopicmass "506.24169" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100601" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100602 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C37H46N4O4" ; chebi:inchi "InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26-,32-,33-/m1/s1" ; chebi:inchikey "UJZHWGMAKJZUOC-GRAPSOOXSA-N" ; chebi:mass "610.787" ; chebi:monoisotopicmass "610.35191" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100602" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11976" . obo:CHEBI_100603 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35FN4O5" ; chebi:inchi "InChI=1S/C28H35FN4O5/c1-17-14-33(28(36)31-23-8-6-5-7-22(23)29)18(2)16-38-24-13-20(30-26(34)19-9-10-19)11-12-21(24)27(35)32(3)15-25(17)37-4/h5-8,11-13,17-19,25H,9-10,14-16H2,1-4H3,(H,30,34)(H,31,36)/t17-,18-,25-/m1/s1" ; chebi:inchikey "RFBSRVOVWGOAAG-QJMRKGMQSA-N" ; chebi:mass "526.601" ; chebi:monoisotopicmass "526.25915" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100603" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6R,9R)-14-[[cyclopropyl(oxo)methyl]amino]-N-(2-fluorophenyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_100604 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-10-9-20(27-24(30)18-7-6-8-19(26)11-18)12-21(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17+,23-/m0/s1" ; chebi:inchikey "CFNBOAHXJHVCOD-MFEFFIJZSA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100604" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100605 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37N3O7S2" ; chebi:inchi "InChI=1S/C30H37N3O7S2/c1-21-11-9-10-14-29(21)41(35,36)31-24-15-16-27-26(17-24)30(34)32(4)19-28(39-5)22(2)18-33(23(3)20-40-27)42(37,38)25-12-7-6-8-13-25/h6-17,22-23,28,31H,18-20H2,1-5H3/t22-,23-,28-/m1/s1" ; chebi:inchikey "CUDOUIJJWFXDCR-MVOZIGHISA-N" ; chebi:mass "615.764" ; chebi:monoisotopicmass "615.20729" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100605" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-(benzenesulfonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide" . obo:CHEBI_100606 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H29N5O5S" ; chebi:inchi "InChI=1S/C23H29N5O5S/c1-25(2)23(31)20-16(12-29)18-10-27-17(9-8-15(22(27)30)14-6-4-5-7-14)21(20)28(18)34(32,33)19-11-26(3)13-24-19/h6,8-9,11,13,16,18,20-21,29H,4-5,7,10,12H2,1-3H3/t16-,18-,20+,21+/m1/s1" ; chebi:inchikey "WKQWAKOEERQJQB-LMQGHGSNSA-N" ; chebi:mass "487.574" ; chebi:monoisotopicmass "487.18894" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2[C@@H]3CN4C(=CC=C(C4=O)C5=CCCC5)[C@H]2[C@H]([C@@H]3CO)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100606" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11980" . obo:CHEBI_100607 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H21N3O2" ; chebi:inchi "InChI=1S/C22H21N3O2/c23-13-19-21(17-10-8-16(9-11-17)15-5-1-2-6-15)20(14-26)25(19)22(27)18-7-3-4-12-24-18/h3-5,7-12,19-21,26H,1-2,6,14H2/t19-,20-,21+/m0/s1" ; chebi:inchikey "MYJKJHLNWUIKMG-PCCBWWKXSA-N" ; chebi:mass "359.422" ; chebi:monoisotopicmass "359.16338" ; chebi:smiles "C1CC=C(C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)C4=CC=CC=N4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100607" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile" . obo:CHEBI_100608 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25+,28+,30+/m0/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-JQIAXLDCSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100608" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_100609 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H25N3O3" ; chebi:inchi "InChI=1S/C22H25N3O3/c1-24(2)13-21(27)25-18(12-23)22(19(25)14-26)16-10-8-15(9-11-16)17-6-4-5-7-20(17)28-3/h4-11,18-19,22,26H,13-14H2,1-3H3/t18-,19+,22-/m1/s1" ; chebi:inchikey "IQHJIJSRQPJLPZ-XQBPLPMBSA-N" ; chebi:mass "379.453" ; chebi:monoisotopicmass "379.18959" ; chebi:smiles "CN(C)CC(=O)N1[C@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100609" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_10061 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37667 ; chebi:charge "0" ; chebi:formula "C17H22O5" ; chebi:inchi "InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3/t9-,14+,15-,16?/m0/s1" ; chebi:inchikey "DPSCQKGSAHTWSP-LPVYDGHXSA-N" ; chebi:mass "306.354" ; chebi:monoisotopicmass "306.14672" ; chebi:smiles "C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1C(CC(C)=O)OC(C)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10061" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xanthinin" . obo:CHEBI_100610 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H33FN2O5S" ; chebi:inchi "InChI=1S/C24H33FN2O5S/c1-17-10-12-20(13-11-17)33(30,31)27(19(3)16-28)14-18(2)23(32-5)15-26(4)24(29)21-8-6-7-9-22(21)25/h6-13,18-19,23,28H,14-16H2,1-5H3/t18-,19+,23-/m0/s1" ; chebi:inchikey "NDGBDPWBOPYDPZ-YYDVJCTNSA-N" ; chebi:mass "480.595" ; chebi:monoisotopicmass "480.20942" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100610" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2R,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_100611 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c31-22-14-30(13-21-15-34-18-27-21)24-7-6-23(35-25(24)17-33-16-22)10-26(32)28-20-8-9-29(12-20)11-19-4-2-1-3-5-19/h1-5,15,18,20,22-25,31H,6-14,16-17H2,(H,28,32)/t20-,22-,23-,24-,25+/m1/s1" ; chebi:inchikey "PSFFUTLOGKFPDU-MRPKTGBJSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=COC=N3)O)O[C@H]1CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100611" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_100612 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35F2N3O5" ; chebi:inchi "InChI=1S/C27H35F2N3O5/c1-17-12-32(13-19-10-20(28)6-8-23(19)29)18(2)15-37-24-9-7-21(30-26(33)16-35-4)11-22(24)27(34)31(3)14-25(17)36-5/h6-11,17-18,25H,12-16H2,1-5H3,(H,30,33)/t17-,18-,25-/m1/s1" ; chebi:inchikey "ZVOSTPFCAQQCID-QJMRKGMQSA-N" ; chebi:mass "519.582" ; chebi:monoisotopicmass "519.25448" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=C(C=CC(=C3)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100612" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_100613 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23665 ; rdfs:subClassOf obo:CHEBI_50996 ; chebi:charge "0" ; chebi:formula "C33H41N5O5" ; chebi:inchi "InChI=1S/C33H41N5O5/c1-23-19-38(24(2)21-39)32(40)29-11-7-6-10-28(29)27-9-5-4-8-25(27)22-43-30(23)20-36(3)33(41)35-26-12-13-34-31(18-26)37-14-16-42-17-15-37/h4-13,18,23-24,30,39H,14-17,19-22H2,1-3H3,(H,34,35,41)/t23-,24-,30+/m0/s1" ; chebi:inchikey "IOQJCBWFRPGQBJ-FOUYOVOOSA-N" ; chebi:mass "587.710" ; chebi:monoisotopicmass "587.31077" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC(=NC=C4)N5CCOCC5)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100613" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11987" . obo:CHEBI_100614 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31ClN2O6S" ; chebi:inchi "InChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "JLFHHDVKVXKGLO-YXPKMTABSA-N" ; chebi:mass "523.043" ; chebi:monoisotopicmass "522.15914" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100614" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_100615 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H33ClN2O4" ; chebi:inchi "InChI=1S/C26H33ClN2O4/c27-21-8-6-20(7-9-21)15-29-16-22(30)17-32-18-25-24(29)11-10-23(33-25)14-26(31)28-13-12-19-4-2-1-3-5-19/h1-9,22-25,30H,10-18H2,(H,28,31)/t22-,23-,24-,25+/m1/s1" ; chebi:inchikey "CXJRMLHIKXWLHJ-VPBXCIAMSA-N" ; chebi:mass "473.005" ; chebi:monoisotopicmass "472.21289" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC=C(C=C3)Cl)O)O[C@H]1CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100615" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_100616 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25F3N4O4" ; chebi:inchi "InChI=1S/C22H25F3N4O4/c23-22(24,25)15-3-5-16(6-4-15)28-21(32)27-11-9-17-7-8-18(19(13-30)33-17)29-20(31)14-2-1-10-26-12-14/h1-6,10,12,17-19,30H,7-9,11,13H2,(H,29,31)(H2,27,28,32)/t17-,18+,19+/m0/s1" ; chebi:inchikey "JHFKDWZHMFMOKL-IPMKNSEASA-N" ; chebi:mass "466.454" ; chebi:monoisotopicmass "466.18279" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCNC(=O)NC2=CC=C(C=C2)C(F)(F)F)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100616" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_100617 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C35H35N3O5S" ; chebi:inchi "InChI=1S/C35H35N3O5S/c1-38-30-15-14-27(19-33(39)36-21-23-9-11-25(12-10-23)24-6-3-2-4-7-24)43-32(30)22-42-31-16-13-26(18-29(31)35(38)41)37-34(40)20-28-8-5-17-44-28/h2-13,16-18,27,30,32H,14-15,19-22H2,1H3,(H,36,39)(H,37,40)/t27-,30+,32-/m0/s1" ; chebi:inchikey "DRCDGYYITPZHEH-KUYURNMDSA-N" ; chebi:mass "609.737" ; chebi:monoisotopicmass "609.22974" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCC5=CC=C(C=C5)C6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100617" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_100618 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-35-26-12-11-23(17-30(36)33-22-14-19-6-2-3-7-20(19)15-22)41-28(26)18-40-27-13-10-21(16-24(27)31(35)37)34-42(38,39)29-9-5-4-8-25(29)32/h2-10,13,16,22-23,26,28,34H,11-12,14-15,17-18H2,1H3,(H,33,36)/t23-,26-,28+/m1/s1" ; chebi:inchikey "WCNQFBRPFNRKRV-RJRADHEHSA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100618" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_100619 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H40N4O4S" ; chebi:inchi "InChI=1S/C32H40N4O4S/c1-32(2,3)41(39)36-21-25-20-27(31(38)35-15-13-34(4)14-16-35)33-30(29(25)28(36)12-17-37)24-10-6-8-22(18-24)23-9-7-11-26(19-23)40-5/h6-11,18-20,28,37H,12-17,21H2,1-5H3/t28-,41?/m1/s1" ; chebi:inchikey "COBDXBQOFDTBIX-MEUHZGSUSA-N" ; chebi:mass "576.752" ; chebi:monoisotopicmass "576.27703" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100619" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_10062 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18073 ; owl:deprecated true . obo:CHEBI_100620 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H37N3O6" ; chebi:inchi "InChI=1S/C29H37N3O6/c1-18-13-32(14-20-5-6-20)19(2)16-36-24-10-8-22(12-23(24)29(34)31(3)15-27(18)35-4)30-28(33)21-7-9-25-26(11-21)38-17-37-25/h7-12,18-20,27H,5-6,13-17H2,1-4H3,(H,30,33)/t18-,19-,27-/m0/s1" ; chebi:inchikey "KBKSWHGSXCIXAL-BATDWUPUSA-N" ; chebi:mass "523.622" ; chebi:monoisotopicmass "523.26824" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100620" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100621 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20+,21-,22-/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-PZMMLYQQSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100621" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11995" . obo:CHEBI_100622 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C17H21FN2O4" ; chebi:inchi "InChI=1S/C17H21FN2O4/c1-20(2)16(22)9-13-7-8-14(15(10-21)24-13)19-17(23)11-3-5-12(18)6-4-11/h3-8,13-15,21H,9-10H2,1-2H3,(H,19,23)/t13-,14+,15-/m1/s1" ; chebi:inchikey "AKLLRXAVVXEIMF-QLFBSQMISA-N" ; chebi:mass "336.359" ; chebi:monoisotopicmass "336.14854" ; chebi:smiles "CN(C)C(=O)C[C@H]1C=C[C@@H]([C@H](O1)CO)NC(=O)C2=CC=C(C=C2)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100622" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide" . obo:CHEBI_100623 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C31H36N2O4" ; chebi:inchi "InChI=1S/C31H36N2O4/c1-22-18-33(23(2)20-34)31(36)28-16-10-9-15-27(28)26-14-8-7-13-25(26)21-37-29(22)19-32(3)30(35)17-24-11-5-4-6-12-24/h4-16,22-23,29,34H,17-21H2,1-3H3/t22-,23-,29+/m1/s1" ; chebi:inchikey "VEXUQYCDGUTBQK-SGQNLQFHSA-N" ; chebi:mass "500.630" ; chebi:monoisotopicmass "500.26751" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CC4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100623" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11997" . obo:CHEBI_100624 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O5" ; chebi:inchi "InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23+,29+,30-/m1/s1" ; chebi:inchikey "DVGPQCDULGSEFB-UEABVZRBSA-N" ; chebi:mass "530.656" ; chebi:monoisotopicmass "530.27807" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100624" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11998" . obo:CHEBI_100625 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H33N3O5" ; chebi:inchi "InChI=1S/C24H33N3O5/c1-26-7-9-27(10-8-26)22(29)13-17-12-19-18-11-16(25-24(30)15-3-2-4-15)5-6-20(18)32-23(19)21(14-28)31-17/h5-6,11,15,17,19,21,23,28H,2-4,7-10,12-14H2,1H3,(H,25,30)/t17-,19+,21+,23-/m1/s1" ; chebi:inchikey "SOARVSRWKWCBLL-QXPQREGVSA-N" ; chebi:mass "443.537" ; chebi:monoisotopicmass "443.24202" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100625" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_100626 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H34N4O6S" ; chebi:inchi "InChI=1S/C22H34N4O6S/c1-25(2)11-5-10-23-21(27)13-16-7-8-18-20(32-16)14-31-19-9-6-15(24-33(4,29)30)12-17(19)22(28)26(18)3/h6,9,12,16,18,20,24H,5,7-8,10-11,13-14H2,1-4H3,(H,23,27)/t16-,18+,20+/m1/s1" ; chebi:inchikey "CDAYNQARGBNMSE-KPFFTGBYSA-N" ; chebi:mass "482.596" ; chebi:monoisotopicmass "482.21991" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100626" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(dimethylamino)propyl]acetamide" . obo:CHEBI_100627 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O6" ; chebi:inchi "InChI=1S/C30H38ClN5O6/c1-35-25-9-8-21(18-28(37)32-11-4-12-36-13-15-40-16-14-36)42-27(25)19-41-26-10-7-20(17-22(26)29(35)38)33-30(39)34-24-6-3-2-5-23(24)31/h2-3,5-7,10,17,21,25,27H,4,8-9,11-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t21-,25+,27-/m1/s1" ; chebi:inchikey "MRBZRZGKCPBOJB-NKPLSRDGSA-N" ; chebi:mass "600.107" ; chebi:monoisotopicmass "599.25106" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100627" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100628 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C26H26N4O5" ; chebi:inchi "InChI=1S/C26H26N4O5/c1-35-15-22(32)30-23-19(20(14-31)24(30)25(33)28-17-7-3-2-4-8-17)13-29-21(23)10-9-18(26(29)34)16-6-5-11-27-12-16/h2-12,19-20,23-24,31H,13-15H2,1H3,(H,28,33)/t19-,20-,23+,24-/m0/s1" ; chebi:inchikey "ZBGRYIWHFJMRFQ-JVODISISSA-N" ; chebi:mass "474.509" ; chebi:monoisotopicmass "474.19032" ; chebi:smiles "COCC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CN=CC=C4)[C@@H]([C@H]1C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100628" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-6-oxo-N-phenyl-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100629 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21+,24-,26+,28+/m0/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-LYQXATBPSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100629" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_10063 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_70327 ; owl:deprecated true . obo:CHEBI_100630 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19+,20-/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-GEALJGNFSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100630" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_100631 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)29-16-18-7-3-1-4-8-18)22-13-20(11-12-24(22)36-27)31-28(34)30-19-9-5-2-6-10-19/h1-13,21,23,25,27,32H,14-17H2,(H,29,33)(H2,30,31,34)/t21-,23+,25+,27-/m1/s1" ; chebi:inchikey "HYQMBLXITOJPAN-WFHOOFKDSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)NCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100631" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide" . obo:CHEBI_100632 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H27FN2O6" ; chebi:inchi "InChI=1S/C24H27FN2O6/c1-31-13-23(30)27-15-6-7-20-17(8-15)18-9-16(32-21(12-28)24(18)33-20)10-22(29)26-11-14-4-2-3-5-19(14)25/h2-8,16,18,21,24,28H,9-13H2,1H3,(H,26,29)(H,27,30)/t16-,18+,21+,24-/m0/s1" ; chebi:inchikey "QLCUJBUUXYDXPU-GDAJUDPFSA-N" ; chebi:mass "458.480" ; chebi:monoisotopicmass "458.18531" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100632" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_100633 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C20H27FN4O4" ; chebi:inchi "InChI=1S/C20H27FN4O4/c1-24-8-10-25(11-9-24)19(27)12-14-6-7-17(18(13-26)29-14)23-20(28)22-16-5-3-2-4-15(16)21/h2-7,14,17-18,26H,8-13H2,1H3,(H2,22,23,28)/t14-,17-,18-/m1/s1" ; chebi:inchikey "ZHYLMLAAZLDJNG-ZTFGCOKTSA-N" ; chebi:mass "406.452" ; chebi:monoisotopicmass "406.20163" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100633" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-fluorophenyl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea" . obo:CHEBI_100634 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-19-6-4-7-21(12-19)39(34,35)31-18-9-10-25-22(11-18)23-13-20(37-26(16-32)28(23)38-25)14-27(33)30-15-17-5-2-3-8-24(17)29/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23-,26+,28+/m1/s1" ; chebi:inchikey "UQAGOAYYXRCKNS-MSUVVHHUSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100634" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_100635 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-15(2)29-27(35)31-23-20(21(14-32)24(31)25(33)28-12-16-4-5-16)13-30-22(23)11-10-19(26(30)34)17-6-8-18(36-3)9-7-17/h6-11,15-16,20-21,23-24,32H,4-5,12-14H2,1-3H3,(H,28,33)(H,29,35)/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "KGEBAFQSPNEEIE-ZQRMPTRQSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CC(C)NC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)OC)[C@@H]([C@H]1C(=O)NCC5CC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100635" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N2-(cyclopropylmethyl)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-6-oxo-N1-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide" . obo:CHEBI_100636 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H30N4O5" ; chebi:inchi "InChI=1S/C22H30N4O5/c1-13-10-23-14(2)12-30-19-7-6-16(24-21(27)18-8-15(3)31-25-18)9-17(19)22(28)26(4)11-20(13)29-5/h6-9,13-14,20,23H,10-12H2,1-5H3,(H,24,27)/t13-,14+,20-/m0/s1" ; chebi:inchikey "JSRBXIHVEPNVJQ-MNVSYLFESA-N" ; chebi:mass "430.498" ; chebi:monoisotopicmass "430.22162" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100636" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_100637 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-17(27-23(29)18-7-5-6-8-20(18)25)11-19(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16+,22+/m0/s1" ; chebi:inchikey "ULFQVHHILZHREN-WJONJSRFSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100637" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100638 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37FN4O5" ; chebi:inchi "InChI=1S/C28H37FN4O5/c1-6-13-30-28(36)31-20-11-12-24-22(14-20)26(34)32(4)16-25(37-5)18(2)15-33(19(3)17-38-24)27(35)21-9-7-8-10-23(21)29/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H2,30,31,36)/t18-,19+,25+/m1/s1" ; chebi:inchikey "IESMZGXEKVWDTA-WYEJZRMESA-N" ; chebi:mass "528.617" ; chebi:monoisotopicmass "528.27480" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=C3F)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100638" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_100639 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H42N4O4" ; chebi:inchi "InChI=1S/C31H42N4O4/c1-21-17-35(22(2)19-36)31(38)30-29(25-13-9-10-14-26(25)34(30)6)24-12-8-7-11-23(24)20-39-27(21)18-33(5)28(37)15-16-32(3)4/h7-14,21-22,27,36H,15-20H2,1-6H3/t21-,22-,27+/m1/s1" ; chebi:inchikey "UPHSEAQPRHOHRJ-LOYIFYEOSA-N" ; chebi:mass "534.691" ; chebi:monoisotopicmass "534.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCN(C)C)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100639" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12013" . obo:CHEBI_10064 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16550 ; owl:deprecated true . obo:CHEBI_100640 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H30FN3O6S" ; chebi:inchi "InChI=1S/C20H30FN3O6S/c21-15-1-4-17(5-2-15)31(27,28)23-18-6-3-16(30-19(18)14-25)7-8-22-20(26)13-24-9-11-29-12-10-24/h1-2,4-5,16,18-19,23,25H,3,6-14H2,(H,22,26)/t16-,18-,19-/m1/s1" ; chebi:inchikey "JNXYUDJSGYXBCY-BHIYHBOVSA-N" ; chebi:mass "459.534" ; chebi:monoisotopicmass "459.18394" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCNC(=O)CN2CCOCC2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100640" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide" . obo:CHEBI_100641 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34N4O5" ; chebi:inchi "InChI=1S/C26H34N4O5/c1-17-14-30(25(32)13-20-8-6-7-11-27-20)18(2)16-35-23-12-21(28-19(3)31)9-10-22(23)26(33)29(4)15-24(17)34-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,28,31)/t17-,18-,24-/m1/s1" ; chebi:inchikey "CZFNYPFIGBHAGJ-QZTZHPFYSA-N" ; chebi:mass "482.573" ; chebi:monoisotopicmass "482.25292" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100641" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_100642 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C31H41N3O6" ; chebi:inchi "InChI=1S/C31H41N3O6/c1-38-28-10-6-5-9-26(28)32-31(37)34-19-24(35)20-39-21-29-27(34)12-11-25(40-29)18-30(36)33-15-13-23(14-16-33)17-22-7-3-2-4-8-22/h2-10,23-25,27,29,35H,11-21H2,1H3,(H,32,37)/t24-,25-,27-,29+/m1/s1" ; chebi:inchikey "PLPDORRRKBPITR-VSUKXTEZSA-N" ; chebi:mass "551.675" ; chebi:monoisotopicmass "551.29954" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100642" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8R,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100643 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N5O4" ; chebi:inchi "InChI=1S/C27H35N5O4/c1-28(2)16-23(34)32-22-15-31-21(10-9-19(26(31)35)18-7-5-4-6-8-18)25(32)24(20(22)17-33)27(36)30-13-11-29(3)12-14-30/h4-10,20,22,24-25,33H,11-17H2,1-3H3/t20-,22-,24+,25+/m0/s1" ; chebi:inchikey "HDUKPTJRZGCVRV-MMTHZHQFSA-N" ; chebi:mass "493.599" ; chebi:monoisotopicmass "493.26890" ; chebi:smiles "CN1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@H]2N3C(=O)CN(C)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100643" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12017" . obo:CHEBI_100644 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-20-16-33(17-22-6-5-11-30-15-22)21(2)19-38-26-8-7-24(31-28(34)23-9-12-37-13-10-23)14-25(26)29(35)32(3)18-27(20)36-4/h5-8,11,14-15,20-21,23,27H,9-10,12-13,16-19H2,1-4H3,(H,31,34)/t20-,21+,27-/m0/s1" ; chebi:inchikey "WKDBULKSLWTRKP-ISCCLHIJSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100644" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_100645 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H32N2O7S" ; chebi:inchi "InChI=1S/C24H32N2O7S/c1-17(13-26(18(2)15-27)34(29,30)20-8-6-5-7-9-20)23(31-4)14-25(3)24(28)19-10-11-21-22(12-19)33-16-32-21/h5-12,17-18,23,27H,13-16H2,1-4H3/t17-,18-,23-/m1/s1" ; chebi:inchikey "ADONDIFMYIEKMI-PMAPCBKXSA-N" ; chebi:mass "492.587" ; chebi:monoisotopicmass "492.19302" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100645" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100646 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H22Cl2N2O5S" ; chebi:inchi "InChI=1S/C21H22Cl2N2O5S/c22-17-8-6-14(10-18(17)23)12-24-21(27)11-15-7-9-19(20(13-26)30-15)25-31(28,29)16-4-2-1-3-5-16/h1-10,15,19-20,25-26H,11-13H2,(H,24,27)/t15-,19-,20-/m0/s1" ; chebi:inchikey "LRDWIZFOJOHHOT-YSSFQJQWSA-N" ; chebi:mass "485.383" ; chebi:monoisotopicmass "484.06265" ; chebi:smiles "C1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100646" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_100647 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H43F3N4O5" ; chebi:inchi "InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21+,22-,28-/m1/s1" ; chebi:inchikey "GMYAYTAKTSTYEI-BUUPBASBSA-N" ; chebi:mass "608.693" ; chebi:monoisotopicmass "608.31855" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100647" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_100648 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H39N3O4" ; chebi:inchi "InChI=1S/C34H39N3O4/c1-23-19-37(24(2)21-38)34(40)33-32(28-16-10-11-17-29(28)36(33)4)27-15-9-8-14-26(27)22-41-30(23)20-35(3)31(39)18-25-12-6-5-7-13-25/h5-17,23-24,30,38H,18-22H2,1-4H3/t23-,24-,30-/m0/s1" ; chebi:inchikey "BENJSVFNXVDSQO-JYUFKMNQSA-N" ; chebi:mass "553.692" ; chebi:monoisotopicmass "553.29406" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100648" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12022" . obo:CHEBI_100649 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H27N3O4" ; chebi:inchi "InChI=1S/C24H27N3O4/c1-15(29)27-20-13-26-19(22(27)21(18(20)14-28)24(31)25(2)3)12-11-17(23(26)30)10-9-16-7-5-4-6-8-16/h4-12,18,20-22,28H,13-14H2,1-3H3/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "SFMBZXLPYFCTAU-YJMBLLCNSA-N" ; chebi:mass "421.490" ; chebi:monoisotopicmass "421.20016" ; chebi:smiles "CC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100649" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12023" . obo:CHEBI_10065 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17953 ; owl:deprecated true . obo:CHEBI_100650 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(18(3)31)17(2)15-35-23-11-10-19(28-25(32)20-8-6-7-9-22(20)27)12-21(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,32)/t16-,17+,24+/m1/s1" ; chebi:inchikey "MJQDMCPXEXXQJL-KCYKTTMJSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100650" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide" . obo:CHEBI_100651 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H29ClN2O5" ; chebi:inchi "InChI=1S/C26H29ClN2O5/c27-17-5-3-16(4-6-17)13-28-24(31)12-19-11-21-20-10-18(29-25(32)9-15-1-2-15)7-8-22(20)34-26(21)23(14-30)33-19/h3-8,10,15,19,21,23,26,30H,1-2,9,11-14H2,(H,28,31)(H,29,32)/t19-,21-,23-,26+/m1/s1" ; chebi:inchikey "LDGCPXKMKGRZSF-INZVZTLUSA-N" ; chebi:mass "484.973" ; chebi:monoisotopicmass "484.17650" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100651" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_100652 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29ClN2O7S" ; chebi:inchi "InChI=1S/C28H29ClN2O7S/c1-36-20-3-2-4-22(12-20)39(34,35)31-19-9-10-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-5-7-18(29)8-6-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24+,26-,28-/m1/s1" ; chebi:inchikey "XHFXJTPXFPIUNX-BTBRWJRTSA-N" ; chebi:mass "573.059" ; chebi:monoisotopicmass "572.13840" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100652" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100653 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-6-9-25(32)29-20-11-12-23-21(14-20)26(33)30(4)16-24(35-5)18(2)15-31(19(3)17-36-23)27(34)22-10-7-8-13-28-22/h7-8,10-14,18-19,24H,6,9,15-17H2,1-5H3,(H,29,32)/t18-,19-,24+/m0/s1" ; chebi:inchikey "ZTXXWNNQGVNFQF-AXHZCLLHSA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100653" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100654 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H38N4O5" ; chebi:inchi "InChI=1S/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20-,26+/m1/s1" ; chebi:inchikey "ZWMNFEZEGHFZOH-KYTVRQNUSA-N" ; chebi:mass "522.637" ; chebi:monoisotopicmass "522.28422" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100654" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8R)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea" . obo:CHEBI_100655 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26FN3O5S" ; chebi:inchi "InChI=1S/C19H26FN3O5S/c1-22-7-9-23(10-8-22)19(25)12-15-5-6-17(18(13-24)28-15)21-29(26,27)16-4-2-3-14(20)11-16/h2-6,11,15,17-18,21,24H,7-10,12-13H2,1H3/t15-,17-,18-/m0/s1" ; chebi:inchikey "BAJOMULNWMTCGT-SZMVWBNQSA-N" ; chebi:mass "427.492" ; chebi:monoisotopicmass "427.15772" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100655" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]benzenesulfonamide" . obo:CHEBI_100656 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H25N3O3" ; chebi:inchi "InChI=1S/C22H25N3O3/c1-24(2)13-21(27)25-18(12-23)22(19(25)14-26)16-10-8-15(9-11-16)17-6-4-5-7-20(17)28-3/h4-11,18-19,22,26H,13-14H2,1-3H3/t18-,19+,22+/m1/s1" ; chebi:inchikey "IQHJIJSRQPJLPZ-DXIQSLLYSA-N" ; chebi:mass "379.453" ; chebi:monoisotopicmass "379.18959" ; chebi:smiles "CN(C)CC(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100656" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_100657 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H34N4O6S" ; chebi:inchi "InChI=1S/C22H34N4O6S/c1-25(2)11-5-10-23-21(27)13-16-7-8-18-20(32-16)14-31-19-9-6-15(24-33(4,29)30)12-17(19)22(28)26(18)3/h6,9,12,16,18,20,24H,5,7-8,10-11,13-14H2,1-4H3,(H,23,27)/t16-,18-,20+/m1/s1" ; chebi:inchikey "CDAYNQARGBNMSE-POAQFYNOSA-N" ; chebi:mass "482.596" ; chebi:monoisotopicmass "482.21991" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100657" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(dimethylamino)propyl]acetamide" . obo:CHEBI_100658 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O6S" ; chebi:inchi "InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18+,20-,22-/m1/s1" ; chebi:inchikey "LWPDCVYPXSZOFH-HOQQESESSA-N" ; chebi:mass "480.964" ; chebi:monoisotopicmass "480.11219" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100658" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100659 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30F2N2O5S" ; chebi:inchi "InChI=1S/C23H30F2N2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17-,22-/m0/s1" ; chebi:inchikey "PIEMZAFCKVBYBS-HOIFWPIMSA-N" ; chebi:mass "484.558" ; chebi:monoisotopicmass "484.18435" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100659" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_10066 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18107 ; owl:deprecated true . obo:CHEBI_100660 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H24FN3O3" ; chebi:inchi "InChI=1S/C25H24FN3O3/c26-17-8-4-7-16(11-17)18-9-10-21-23-22(24(31)27-12-15-5-2-1-3-6-15)19(14-30)20(28-23)13-29(21)25(18)32/h1-11,19-20,22-23,28,30H,12-14H2,(H,27,31)/t19-,20-,22+,23+/m1/s1" ; chebi:inchikey "VSJWYLDRVGFTPJ-SCPDWHHUSA-N" ; chebi:mass "433.476" ; chebi:monoisotopicmass "433.18017" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2)C3=CC=C(C(=O)N31)C4=CC(=CC=C4)F)C(=O)NCC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100660" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12034" . obo:CHEBI_100661 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H27NO7" ; chebi:inchi "InChI=1S/C21H27NO7/c1-26-19(24)10-14-9-16-15-8-13(22-21(25)12-4-6-27-7-5-12)2-3-17(15)29-20(16)18(11-23)28-14/h2-3,8,12,14,16,18,20,23H,4-7,9-11H2,1H3,(H,22,25)/t14-,16-,18-,20+/m1/s1" ; chebi:inchikey "CYYYAXPAVULRAL-ODZKNYGOSA-N" ; chebi:mass "405.442" ; chebi:monoisotopicmass "405.17875" ; chebi:smiles "COC(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100661" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_100662 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O3" ; chebi:inchi "InChI=1S/C27H36N2O3/c1-19-14-29(20(2)17-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-22(23)18-32-26(19)16-28(3)15-21-12-13-21/h4-11,19-21,26,30H,12-18H2,1-3H3/t19-,20+,26-/m1/s1" ; chebi:inchikey "XOTAGUVNSWBDBY-BVFVYWQFSA-N" ; chebi:mass "436.587" ; chebi:monoisotopicmass "436.27259" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4CC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100662" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12036" . obo:CHEBI_100663 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H32FN3O5" ; chebi:inchi "InChI=1S/C23H32FN3O5/c1-25-8-10-26(11-9-25)22(29)12-17-6-7-20-21(32-17)15-31-14-16(28)13-27(20)23(30)18-4-2-3-5-19(18)24/h2-5,16-17,20-21,28H,6-15H2,1H3/t16-,17-,20-,21+/m1/s1" ; chebi:inchikey "JLPSQBARJGYMKN-DGQTTZFYSA-N" ; chebi:mass "449.517" ; chebi:monoisotopicmass "449.23260" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)C4=CC=CC=C4F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100663" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_100664 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H27N3O6" ; chebi:inchi "InChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-4-5-19-17(7-15)18-8-16(31-20(12-27)23(18)32-19)9-21(28)25-11-14-3-2-6-24-10-14/h2-7,10,16,18,20,23,27H,8-9,11-13H2,1H3,(H,25,28)(H,26,29)/t16-,18-,20-,23+/m1/s1" ; chebi:inchikey "HQZJCXNXJWTAKA-WVVHNUNQSA-N" ; chebi:mass "441.478" ; chebi:monoisotopicmass "441.18999" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100664" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_100665 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(18(3)31)17(2)15-35-23-11-10-19(28-25(32)20-8-6-7-9-22(20)27)12-21(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,32)/t16-,17-,24-/m0/s1" ; chebi:inchikey "MJQDMCPXEXXQJL-UAVUOLJFSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100665" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide" . obo:CHEBI_100666 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30N2O7S" ; chebi:inchi "InChI=1S/C25H30N2O7S/c1-32-17-5-7-19(8-6-17)35(30,31)27-16-4-9-22-20(10-16)21-11-18(33-23(14-28)25(21)34-22)12-24(29)26-13-15-2-3-15/h4-10,15,18,21,23,25,27-28H,2-3,11-14H2,1H3,(H,26,29)/t18-,21-,23+,25+/m0/s1" ; chebi:inchikey "UYFCGOQSYKFWAJ-FJSLEZNWSA-N" ; chebi:mass "502.582" ; chebi:monoisotopicmass "502.17737" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100666" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100667 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5" ; chebi:inchi "InChI=1S/C32H36FN3O5/c1-21-18-36(32(39)25-12-8-9-13-27(25)33)22(2)20-41-28-17-24(34-30(37)16-23-10-6-5-7-11-23)14-15-26(28)31(38)35(3)19-29(21)40-4/h5-15,17,21-22,29H,16,18-20H2,1-4H3,(H,34,37)/t21-,22+,29-/m1/s1" ; chebi:inchikey "QUELGMPZNWRZSJ-UETOGOEVSA-N" ; chebi:mass "561.645" ; chebi:monoisotopicmass "561.26390" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100667" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_100668 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_26979 ; chebi:charge "0" ; chebi:formula "C24H25FN2O5" ; chebi:inchi "InChI=1S/C24H25FN2O5/c1-32-24(31)21-18(12-28)17-11-26-19(20(17)27(21)22(29)14-3-2-4-14)10-9-16(23(26)30)13-5-7-15(25)8-6-13/h5-10,14,17-18,20-21,28H,2-4,11-12H2,1H3/t17-,18-,20+,21-/m1/s1" ; chebi:inchikey "YQHVQTZYSLOMSV-RMVXJAJNSA-N" ; chebi:mass "440.465" ; chebi:monoisotopicmass "440.17475" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]2N1C(=O)C5CCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100668" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_100669 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30N2O7" ; chebi:inchi "InChI=1S/C31H30N2O7/c34-16-28-30-24(13-22(39-28)14-29(35)33-10-9-18-3-1-2-4-20(18)15-33)23-12-21(6-8-25(23)40-30)32-31(36)19-5-7-26-27(11-19)38-17-37-26/h1-8,11-12,22,24,28,30,34H,9-10,13-17H2,(H,32,36)/t22-,24+,28+,30-/m0/s1" ; chebi:inchikey "DMKXNQOLMYQXCN-HHGBJQJNSA-N" ; chebi:mass "542.580" ; chebi:monoisotopicmass "542.20530" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CC7=C(C=C6)OCO7" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100669" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_10067 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15652 ; owl:deprecated true . obo:CHEBI_100670 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33F3N2O5S" ; chebi:inchi "InChI=1S/C30H33F3N2O5S/c1-20-16-35(21(2)18-36)29(37)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-40-28(20)17-34(3)41(38,39)24-14-12-23(13-15-24)30(31,32)33/h4-15,20-21,28,36H,16-19H2,1-3H3/t20-,21-,28-/m0/s1" ; chebi:inchikey "VUGFGKFGZUURHO-CZBREUMFSA-N" ; chebi:mass "590.656" ; chebi:monoisotopicmass "590.20623" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100670" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12044" . obo:CHEBI_100671 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C14H21N3O4S" ; chebi:inchi "InChI=1S/C14H21N3O4S/c18-9-6-16-11-2-1-10(21-12(11)8-20-7-9)5-13(19)17-14-15-3-4-22-14/h3-4,9-12,16,18H,1-2,5-8H2,(H,15,17,19)/t9-,10-,11-,12+/m1/s1" ; chebi:inchikey "LPUMVFGYOYFXDR-KKOKHZNYSA-N" ; chebi:mass "327.401" ; chebi:monoisotopicmass "327.12528" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@H]1CC(=O)NC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100671" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide" . obo:CHEBI_100672 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C22H23FN2O5" ; chebi:inchi "InChI=1S/C22H23FN2O5/c1-3-18(27)25-17-10-24-16(20(25)19(15(17)11-26)22(29)30-2)9-8-14(21(24)28)12-4-6-13(23)7-5-12/h4-9,15,17,19-20,26H,3,10-11H2,1-2H3/t15-,17-,19+,20+/m0/s1" ; chebi:inchikey "HISNYEFWMKAJQA-SMMRIJLZSA-N" ; chebi:mass "414.428" ; chebi:monoisotopicmass "414.15910" ; chebi:smiles "CCC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]1[C@@H]([C@H]2CO)C(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100672" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12046" . obo:CHEBI_100673 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22+,29+/m1/s1" ; chebi:inchikey "GTRXSASKUSVSHJ-BXOOBUKZSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100673" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12047" . obo:CHEBI_100674 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-17(27-23(29)18-7-5-6-8-20(18)25)11-19(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16-,22+/m0/s1" ; chebi:inchikey "ULFQVHHILZHREN-PONJGIIJSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100674" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100675 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H34N6O4S" ; chebi:inchi "InChI=1S/C30H34N6O4S/c1-19-14-36(15-21-12-31-18-32-13-21)20(2)17-40-25-10-9-22(11-23(25)30(38)35(3)16-26(19)39-4)33-28(37)29-34-24-7-5-6-8-27(24)41-29/h5-13,18-20,26H,14-17H2,1-4H3,(H,33,37)/t19-,20-,26+/m0/s1" ; chebi:inchikey "AMMFZKQUXZGGMQ-CUVVAGTFSA-N" ; chebi:mass "574.696" ; chebi:monoisotopicmass "574.23622" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@H]1OC)C)C)CC5=CN=CN=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100675" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_100676 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H37N3O5" ; chebi:inchi "InChI=1S/C29H37N3O5/c1-18(19-8-4-2-5-9-19)30-27(34)16-22-15-24-23-14-21(32-29(35)31-20-10-6-3-7-11-20)12-13-25(23)37-28(24)26(17-33)36-22/h2,4-5,8-9,12-14,18,20,22,24,26,28,33H,3,6-7,10-11,15-17H2,1H3,(H,30,34)(H2,31,32,35)/t18-,22-,24-,26-,28+/m0/s1" ; chebi:inchikey "CGDALBMFLMENHX-VUBFOCLHSA-N" ; chebi:mass "507.622" ; chebi:monoisotopicmass "507.27332" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100676" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100677 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H29ClN2O5" ; chebi:inchi "InChI=1S/C26H29ClN2O5/c27-17-5-3-16(4-6-17)13-28-24(31)12-19-11-21-20-10-18(29-25(32)9-15-1-2-15)7-8-22(20)34-26(21)23(14-30)33-19/h3-8,10,15,19,21,23,26,30H,1-2,9,11-14H2,(H,28,31)(H,29,32)/t19-,21+,23-,26-/m0/s1" ; chebi:inchikey "LDGCPXKMKGRZSF-OXPRRSNCSA-N" ; chebi:mass "484.973" ; chebi:monoisotopicmass "484.17650" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100677" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_100678 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H33N3O5S" ; chebi:inchi "InChI=1S/C22H33N3O5S/c1-17-5-8-19(9-6-17)31(28,29)24-20-10-7-18(30-21(20)16-26)15-22(27)23-11-14-25-12-3-2-4-13-25/h5-10,18,20-21,24,26H,2-4,11-16H2,1H3,(H,23,27)/t18-,20+,21+/m0/s1" ; chebi:inchikey "VUOOERVJSWLFKU-CEWLAPEOSA-N" ; chebi:mass "451.581" ; chebi:monoisotopicmass "451.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCCN3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100678" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100679 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30ClN3O5S" ; chebi:inchi "InChI=1S/C23H30ClN3O5S/c1-15-12-25-16(2)14-32-21-11-18(26-33(29,30)19-7-5-6-17(24)10-19)8-9-20(21)23(28)27(3)13-22(15)31-4/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16+,22+/m1/s1" ; chebi:inchikey "PSXVKIUCJIMJLV-VVBPWWLESA-N" ; chebi:mass "496.021" ; chebi:monoisotopicmass "495.15947" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100679" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_10068 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18358 ; owl:deprecated true . obo:CHEBI_100680 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H24ClN5O4" ; chebi:inchi "InChI=1S/C25H24ClN5O4/c1-14(33)31-22-18(11-30-21(22)7-6-17(25(30)35)16-8-27-13-28-9-16)19(12-32)23(31)24(34)29-10-15-4-2-3-5-20(15)26/h2-9,13,18-19,22-23,32H,10-12H2,1H3,(H,29,34)/t18-,19-,22+,23-/m0/s1" ; chebi:inchikey "NRDXZHALSORZQF-LBVMUVSTSA-N" ; chebi:mass "493.943" ; chebi:monoisotopicmass "493.15168" ; chebi:smiles "CC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CN=CN=C4)[C@@H]([C@H]1C(=O)NCC5=CC=CC=C5Cl)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100680" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-acetyl-N-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100681 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C27H29F2N3O6" ; chebi:inchi "InChI=1S/C27H29F2N3O6/c1-31-22-6-4-18(14-25(33)32-8-10-36-11-9-32)38-24(22)15-37-23-7-3-17(13-19(23)27(31)35)30-26(34)16-2-5-20(28)21(29)12-16/h2-3,5,7,12-13,18,22,24H,4,6,8-11,14-15H2,1H3,(H,30,34)/t18-,22+,24-/m1/s1" ; chebi:inchikey "RISZPRWRWDPXQV-RVSNTGDXSA-N" ; chebi:mass "529.533" ; chebi:monoisotopicmass "529.20244" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100681" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_100682 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22+,26-,28-/m0/s1" ; chebi:inchikey "WXIRIDSMDJYJEU-HYRFHYEVSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100682" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100683 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C30H35FN2O3" ; chebi:inchi "InChI=1S/C30H35FN2O3/c1-21-16-33(22(2)19-34)30(35)28-11-7-6-10-27(28)26-9-5-4-8-24(26)20-36-29(21)18-32(3)17-23-12-14-25(31)15-13-23/h4-15,21-22,29,34H,16-20H2,1-3H3/t21-,22+,29-/m0/s1" ; chebi:inchikey "KXTDYBDROYGOSG-KERYWQKISA-N" ; chebi:mass "490.610" ; chebi:monoisotopicmass "490.26317" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100683" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12057" . obo:CHEBI_100684 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-30(2)14-6-13-29-27(35)25-21(17-33)23-16-31-22(26(25)32(23)24(34)15-18-9-10-18)12-11-20(28(31)36)19-7-4-3-5-8-19/h3-5,7-8,11-12,18,21,23,25-26,33H,6,9-10,13-17H2,1-2H3,(H,29,35)/t21-,23-,25+,26+/m0/s1" ; chebi:inchikey "ZADPRABAISSLKD-AAOIWRJWSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "CN(C)CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@H]1N2C(=O)CC5CC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100684" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12058" . obo:CHEBI_100685 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-17-14-29(3)18(2)16-35-22-12-11-19(13-20(22)25(31)30(4)15-24(17)34-6)27-26(32)28-21-9-7-8-10-23(21)33-5/h7-13,17-18,24H,14-16H2,1-6H3,(H2,27,28,32)/t17-,18+,24+/m1/s1" ; chebi:inchikey "MQWQDAVBIBJDRV-YTZAWJCFSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100685" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-methoxyphenyl)-3-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100686 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C24H32N2O5S" ; chebi:inchi "InChI=1S/C24H32N2O5S/c1-17-13-26(18(2)15-27)24(28)22-12-8-7-11-21(22)20-10-6-5-9-19(20)16-31-23(17)14-25(3)32(4,29)30/h5-12,17-18,23,27H,13-16H2,1-4H3/t17-,18-,23-/m0/s1" ; chebi:inchikey "UZINPKAPIFGTKL-BSRJHKFKSA-N" ; chebi:mass "460.588" ; chebi:monoisotopicmass "460.20319" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100686" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12060" . obo:CHEBI_100687 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16-,18+,19-/m1/s1" ; chebi:inchikey "LYYREMJMDQKNES-SKWUIDRYSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@@H]1C(=O)N(C[C@@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100687" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12061" . obo:CHEBI_100688 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H26ClN3O4" ; chebi:inchi "InChI=1S/C26H26ClN3O4/c1-34-22-9-5-3-7-16(22)17-10-11-21-23-18(13-30(21)26(17)33)19(14-31)24(29-23)25(32)28-12-15-6-2-4-8-20(15)27/h2-11,18-19,23-24,29,31H,12-14H2,1H3,(H,28,32)/t18-,19-,23+,24-/m1/s1" ; chebi:inchikey "HIRFHYYIFOJILK-PBIIQAGSSA-N" ; chebi:mass "479.956" ; chebi:monoisotopicmass "479.16118" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C3[C@@H]4[C@H](CN3C2=O)[C@H]([C@@H](N4)C(=O)NCC5=CC=CC=C5Cl)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100688" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100689 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C12H25N3O3" ; chebi:inchi "InChI=1S/C12H25N3O3/c1-8(2)14-12(17)15-10-4-3-9(5-6-13)18-11(10)7-16/h8-11,16H,3-7,13H2,1-2H3,(H2,14,15,17)/t9-,10+,11+/m0/s1" ; chebi:inchikey "RKCCKXKETMZMSY-HBNTYKKESA-N" ; chebi:mass "259.346" ; chebi:monoisotopicmass "259.18959" ; chebi:smiles "CC(C)NC(=O)N[C@@H]1CC[C@H](O[C@@H]1CO)CCN" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100689" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea" . obo:CHEBI_10069 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15709 ; owl:deprecated true . obo:CHEBI_100690 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34FN3O6S" ; chebi:inchi "InChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23-,25+,27+/m1/s1" ; chebi:inchikey "PHBUKTREHITDBU-BQLGRQSHSA-N" ; chebi:mass "547.641" ; chebi:monoisotopicmass "547.21524" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100690" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100691 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H16FN3O2" ; chebi:inchi "InChI=1S/C18H16FN3O2/c19-13-7-4-8-14(9-13)21-18(24)22-15(10-20)17(16(22)11-23)12-5-2-1-3-6-12/h1-9,15-17,23H,11H2,(H,21,24)/t15-,16-,17+/m0/s1" ; chebi:inchikey "NDKYDEPQZPJKDZ-YESZJQIVSA-N" ; chebi:mass "325.338" ; chebi:monoisotopicmass "325.12265" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)C(=O)NC3=CC(=CC=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100691" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide" . obo:CHEBI_100692 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H38FN3O6S" ; chebi:inchi "InChI=1S/C31H38FN3O6S/c1-21-17-35(18-23-9-6-7-12-28(23)32)22(2)20-41-29-15-24(13-14-27(29)31(36)34(3)19-30(21)40-5)33-42(37,38)26-11-8-10-25(16-26)39-4/h6-16,21-22,30,33H,17-20H2,1-5H3/t21-,22-,30+/m1/s1" ; chebi:inchikey "WUHLCXCEWBJVDE-WOGZVKCMSA-N" ; chebi:mass "599.716" ; chebi:monoisotopicmass "599.24654" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CC4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100692" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzenesulfonamide" . obo:CHEBI_100693 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 . _:b81 rdf:type owl:Restriction . obo:CHEBI_100693 rdfs:subClassOf _:b81 . _:b81 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17154 . obo:CHEBI_100693 chebi:charge "0" ; chebi:formula "C21H30N4O4" ; chebi:inchi "InChI=1S/C21H30N4O4/c26-15-19-18(24-21(28)16-5-4-8-22-14-16)7-6-17(29-19)13-20(27)23-9-12-25-10-2-1-3-11-25/h4-8,14,17-19,26H,1-3,9-13,15H2,(H,23,27)(H,24,28)/t17-,18+,19+/m1/s1" ; chebi:inchikey "VGDFEWNPUKUXSQ-QYZOEREBSA-N" ; chebi:mass "402.488" ; chebi:monoisotopicmass "402.22671" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100693" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide" . obo:CHEBI_100694 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H18N2O3S" ; chebi:inchi "InChI=1S/C18H18N2O3S/c19-11-16-18(15-9-5-2-6-10-15)17(12-21)20(16)24(22,23)13-14-7-3-1-4-8-14/h1-10,16-18,21H,12-13H2/t16-,17-,18-/m0/s1" ; chebi:inchikey "SEDZELNMUHOWSZ-BZSNNMDCSA-N" ; chebi:mass "342.414" ; chebi:monoisotopicmass "342.10381" ; chebi:smiles "C1=CC=C(C=C1)CS(=O)(=O)N2[C@H]([C@H]([C@@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100694" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile" . obo:CHEBI_100695 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H27N3O6" ; chebi:inchi "InChI=1S/C24H27N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-11,15,18-19,22,28H,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18-,19-,22-/m1/s1" ; chebi:inchikey "UDMIDSQAUXVXMN-CIVUBGFFSA-N" ; chebi:mass "453.489" ; chebi:monoisotopicmass "453.18999" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100695" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100696 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-9-10-23-24(13-22)36-18-20(3)32(16-21-8-7-12-28-14-21)15-19(2)25(35-5)17-31(4)26(23)33/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25-/m0/s1" ; chebi:inchikey "CHKBOEGZXMMFCS-DFIYOIEZSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)CC3=CN=CC=C3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100696" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_100697 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H32F3N3O4S" ; chebi:inchi "InChI=1S/C29H32F3N3O4S/c1-28(2,3)40(38)35-16-21-15-23(27(37)33-17-29(30,31)32)34-26(25(21)24(35)12-13-36)20-7-5-6-19(14-20)18-8-10-22(39-4)11-9-18/h5-11,14-15,24,36H,12-13,16-17H2,1-4H3,(H,33,37)/t24-,40-/m0/s1" ; chebi:inchikey "KLCJYDRSSANISD-KHMLVVKISA-N" ; chebi:mass "575.644" ; chebi:monoisotopicmass "575.20656" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)OC)C(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100697" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100698 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O5S" ; chebi:inchi "InChI=1S/C25H35N3O5S/c1-17-9-7-8-10-24(17)34(30,31)26-20-11-12-21-22(13-20)33-16-19(3)27(4)14-18(2)23(32-6)15-28(5)25(21)29/h7-13,18-19,23,26H,14-16H2,1-6H3/t18-,19+,23+/m0/s1" ; chebi:inchikey "VMCYUUKPCWGJCJ-YCRNBWNJSA-N" ; chebi:mass "489.630" ; chebi:monoisotopicmass "489.22974" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100698" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide" . obo:CHEBI_100699 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31N5O5" ; chebi:inchi "InChI=1S/C24H31N5O5/c1-15-12-29(24(32)20-11-25-8-9-26-20)16(2)14-34-21-7-6-18(27-17(3)30)10-19(21)23(31)28(4)13-22(15)33-5/h6-11,15-16,22H,12-14H2,1-5H3,(H,27,30)/t15-,16+,22+/m0/s1" ; chebi:inchikey "PQYPJTAQDSWLTB-WJONJSRFSA-N" ; chebi:mass "469.534" ; chebi:monoisotopicmass "469.23252" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=NC=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100699" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_1007 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28210 ; owl:deprecated true . obo:CHEBI_10070 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33308 . _:b82 rdf:type owl:Restriction . obo:CHEBI_10070 rdfs:subClassOf _:b82 . _:b82 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_16204 . obo:CHEBI_10070 chebi:charge "0" ; chebi:formula "C10H12O4" ; chebi:inchi "InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3" ; chebi:inchikey "FBUBVLUPUDBFME-UHFFFAOYSA-N" ; chebi:mass "196.200" ; chebi:monoisotopicmass "196.07356" ; chebi:smiles "COc1cc(O)c(C(C)=O)c(OC)c1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10070" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xanthoxylin" . obo:CHEBI_100700 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C25H24FN3O4" ; chebi:inchi "InChI=1S/C25H24FN3O4/c1-33-25(32)23-19(14-30)18-13-28-21(22(18)29(23)12-15-8-10-27-11-9-15)7-6-17(24(28)31)16-4-2-3-5-20(16)26/h2-11,18-19,22-23,30H,12-14H2,1H3/t18-,19-,22+,23-/m1/s1" ; chebi:inchikey "SOHXSUHWQBDTJV-PJIZGREPSA-N" ; chebi:mass "449.475" ; chebi:monoisotopicmass "449.17508" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@H]2N1CC5=CC=NC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100700" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridin-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_100701 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C35H32N2O8" ; chebi:inchi "InChI=1S/C35H32N2O8/c38-19-32-34-28(27-15-23(9-13-29(27)45-34)37-35(40)22-8-12-30-31(14-22)42-20-41-30)16-26(44-32)17-33(39)36-18-21-6-10-25(11-7-21)43-24-4-2-1-3-5-24/h1-15,26,28,32,34,38H,16-20H2,(H,36,39)(H,37,40)/t26-,28-,32-,34+/m0/s1" ; chebi:inchikey "HZYAIKCNCGBDKG-MBVGZTCASA-N" ; chebi:mass "608.639" ; chebi:monoisotopicmass "608.21587" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=C(C=C6)OC7=CC=CC=C7" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100701" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100702 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H36N4O6" ; chebi:inchi "InChI=1S/C29H36N4O6/c1-33-24-4-3-22(17-27(34)31-13-8-19-6-11-30-12-7-19)39-26(24)18-38-25-5-2-21(16-23(25)29(33)36)32-28(35)20-9-14-37-15-10-20/h2,5-7,11-12,16,20,22,24,26H,3-4,8-10,13-15,17-18H2,1H3,(H,31,34)(H,32,35)/t22-,24-,26+/m1/s1" ; chebi:inchikey "XUZKWORPTAYLRR-NOOIUNMQSA-N" ; chebi:mass "536.620" ; chebi:monoisotopicmass "536.26348" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100702" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_100703 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H28N4O4" ; chebi:inchi "InChI=1S/C22H28N4O4/c27-15-20-19(26-22(29)13-17-3-1-2-9-24-17)5-4-18(30-20)14-21(28)25-12-8-16-6-10-23-11-7-16/h1-3,6-7,9-11,18-20,27H,4-5,8,12-15H2,(H,25,28)(H,26,29)/t18-,19-,20+/m0/s1" ; chebi:inchikey "GUCCOCGWZUYAMY-SLFFLAALSA-N" ; chebi:mass "412.483" ; chebi:monoisotopicmass "412.21106" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100703" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_100704 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C23H27NO8S" ; chebi:inchi "InChI=1S/C23H27NO8S/c25-16-13-24(21-11-8-19(12-23(26)27)32-22(21)15-30-14-16)33(28,29)20-9-6-18(7-10-20)31-17-4-2-1-3-5-17/h1-7,9-10,16,19,21-22,25H,8,11-15H2,(H,26,27)/t16-,19-,21+,22-/m1/s1" ; chebi:inchikey "WUYMKGAOXGWOLL-ZKMOHVOUSA-N" ; chebi:mass "477.529" ; chebi:monoisotopicmass "477.14574" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)O)O[C@H]1CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100704" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid" . obo:CHEBI_100705 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H34FN3O4S" ; chebi:inchi "InChI=1S/C29H34FN3O4S/c1-29(2,3)38(36)33-18-22-17-24(28(35)31-12-14-37-4)32-27(26(22)25(33)11-13-34)21-9-5-7-19(15-21)20-8-6-10-23(30)16-20/h5-10,15-17,25,34H,11-14,18H2,1-4H3,(H,31,35)/t25-,38-/m0/s1" ; chebi:inchikey "RYACMGXBLHGDBX-KUPGCWECSA-N" ; chebi:mass "539.664" ; chebi:monoisotopicmass "539.22541" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F)C(=O)NCCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100705" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100706 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H40N4O5" ; chebi:inchi "InChI=1S/C25H40N4O5/c1-8-9-23(30)26-19-10-11-20-21(12-19)34-16-18(3)29(24(31)15-27(4)5)13-17(2)22(33-7)14-28(6)25(20)32/h10-12,17-18,22H,8-9,13-16H2,1-7H3,(H,26,30)/t17-,18-,22+/m1/s1" ; chebi:inchikey "REUNTGUOEHKOBZ-HMFYCAOWSA-N" ; chebi:mass "476.610" ; chebi:monoisotopicmass "476.29987" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)C(=O)CN(C)C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100706" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100707 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H24N2O5S" ; chebi:inchi "InChI=1S/C15H24N2O5S/c1-21-12-3-2-4-13(9-12)23(19,20)17-14-6-5-11(7-8-16)22-15(14)10-18/h2-4,9,11,14-15,17-18H,5-8,10,16H2,1H3/t11-,14-,15-/m0/s1" ; chebi:inchikey "FUQFZQORNFVFMN-CQDKDKBSSA-N" ; chebi:mass "344.428" ; chebi:monoisotopicmass "344.14059" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCN" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100707" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide" . obo:CHEBI_100708 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30FN3O6S" ; chebi:inchi "InChI=1S/C21H30FN3O6S/c22-17-4-1-2-5-20(17)32(28,29)24-18-7-6-16(31-19(18)15-26)14-21(27)23-8-3-9-25-10-12-30-13-11-25/h1-2,4-7,16,18-19,24,26H,3,8-15H2,(H,23,27)/t16-,18+,19-/m0/s1" ; chebi:inchikey "XLDWFJCTUAPIOT-UHOSZYNNSA-N" ; chebi:mass "471.545" ; chebi:monoisotopicmass "471.18394" ; chebi:smiles "C1COCCN1CCCNC(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100708" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6R)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100709 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H28N2O6S" ; chebi:inchi "InChI=1S/C20H28N2O6S/c1-27-17-7-3-4-8-19(17)29(25,26)21-16-10-9-15(28-18(16)14-23)13-20(24)22-11-5-2-6-12-22/h3-4,7-10,15-16,18,21,23H,2,5-6,11-14H2,1H3/t15-,16+,18+/m0/s1" ; chebi:inchikey "LFPPDYCBOCBVHR-LZLYRXPVSA-N" ; chebi:mass "424.513" ; chebi:monoisotopicmass "424.16681" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)N3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100709" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxybenzenesulfonamide" . obo:CHEBI_10071 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37667 ; chebi:charge "0" ; chebi:formula "C17H22O5" ; chebi:inchi "InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3/t9-,14+,15+,16+/m0/s1" ; chebi:inchikey "DPSCQKGSAHTWSP-LDYRWJSCSA-N" ; chebi:mass "306.354" ; chebi:monoisotopicmass "306.14672" ; chebi:smiles "C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC=C1[C@@H](CC(C)=O)OC(C)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10071" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xanthumin" . obo:CHEBI_100710 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16+,18+,19-/m1/s1" ; chebi:inchikey "LYYREMJMDQKNES-TWKWOARYSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@@H]1C(=O)N(C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100710" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12084" . obo:CHEBI_100711 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H41N3O5" ; chebi:inchi "InChI=1S/C35H41N3O5/c1-23-19-38(24(2)21-39)34(40)32-31(28-17-11-12-18-29(28)37(32)4)27-16-10-9-15-26(27)22-43-30(23)20-36(3)35(41)33(42-5)25-13-7-6-8-14-25/h6-18,23-24,30,33,39H,19-22H2,1-5H3/t23-,24+,30+,33+/m1/s1" ; chebi:inchikey "ZXKFKEACMTVYCV-LPUCVJQBSA-N" ; chebi:mass "583.718" ; chebi:monoisotopicmass "583.30462" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](C4=CC=CC=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100711" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12085" . obo:CHEBI_100712 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O5" ; chebi:inchi "InChI=1S/C24H30N2O5/c1-26(2)16-8-9-21-18(10-16)19-11-17(30-22(14-27)24(19)31-21)12-23(28)25-13-15-6-4-5-7-20(15)29-3/h4-10,17,19,22,24,27H,11-14H2,1-3H3,(H,25,28)/t17-,19+,22-,24-/m0/s1" ; chebi:inchikey "YXRWVZTUBKEEPU-ITNQAFBNSA-N" ; chebi:mass "426.506" ; chebi:monoisotopicmass "426.21547" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=C4OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100712" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100713 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H33N5O3S" ; chebi:inchi "InChI=1S/C33H33N5O3S/c1-33(2,3)42(41)38-21-27-18-28(32(40)36-20-22-10-13-35-14-11-22)37-31(30(27)29(38)12-15-39)26-9-5-8-25(17-26)24-7-4-6-23(16-24)19-34/h4-11,13-14,16-18,29,39H,12,15,20-21H2,1-3H3,(H,36,40)/t29-,42-/m0/s1" ; chebi:inchikey "AXJWSZCRWHPALT-WHAQVLKXSA-N" ; chebi:mass "579.714" ; chebi:monoisotopicmass "579.23041" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100713" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100714 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-3-40(36,37)31-21-9-12-26-24(15-21)29(35)32(2)25-11-10-23(39-27(25)19-38-26)16-28(34)30-22-13-14-33(18-22)17-20-7-5-4-6-8-20/h4-9,12,15,22-23,25,27,31H,3,10-11,13-14,16-19H2,1-2H3,(H,30,34)/t22-,23-,25-,27+/m0/s1" ; chebi:inchikey "IJWLFSVDDGQQHF-LYPIBBCQSA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100714" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_100715 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31ClN2O6S" ; chebi:inchi "InChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20+,22+,23-/m0/s1" ; chebi:inchikey "JLFHHDVKVXKGLO-JVSAHFFESA-N" ; chebi:mass "523.043" ; chebi:monoisotopicmass "522.15914" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100715" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_100716 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O5S" ; chebi:inchi "InChI=1S/C25H36N4O5S/c1-6-35(31,32)27-20-10-11-23-22(13-20)25(30)28(4)16-24(33-5)18(2)14-29(19(3)17-34-23)15-21-9-7-8-12-26-21/h7-13,18-19,24,27H,6,14-17H2,1-5H3/t18-,19+,24+/m1/s1" ; chebi:inchikey "NFKQXDUJHPCZLU-IMWIBFENSA-N" ; chebi:mass "504.644" ; chebi:monoisotopicmass "504.24064" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100716" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_100717 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H37FN4O3" ; chebi:inchi "InChI=1S/C29H37FN4O3/c1-21(17-34(22(2)20-35)29(36)32-26-14-12-25(30)13-15-26)28(37-4)19-33(3)18-23-8-10-24(11-9-23)27-7-5-6-16-31-27/h5-16,21-22,28,35H,17-20H2,1-4H3,(H,32,36)/t21-,22+,28+/m1/s1" ; chebi:inchikey "XSSRKRLNCLGOQF-WENCSYSZSA-N" ; chebi:mass "508.629" ; chebi:monoisotopicmass "508.28497" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=CC=C(C=C2)C3=CC=CC=N3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100717" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea" . obo:CHEBI_100718 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)13-25-12-16)9-20(24)22-8-7-14-3-1-2-4-15(14)11-22/h1-4,16-19,21,23H,5-13H2/t16-,17-,18+,19-/m0/s1" ; chebi:inchikey "MNYFKSZVIZZWBR-OKYOBFRVSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100718" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_100719 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H35F3N2O4" ; chebi:inchi "InChI=1S/C21H35F3N2O4/c22-21(23,24)8-9-26-12-16(27)13-29-14-19-18(26)7-6-17(30-19)10-20(28)25-11-15-4-2-1-3-5-15/h15-19,27H,1-14H2,(H,25,28)/t16-,17+,18+,19-/m1/s1" ; chebi:inchikey "LOZCXWBJFMLABO-YDZRNGNQSA-N" ; chebi:mass "436.510" ; chebi:monoisotopicmass "436.25489" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CCC(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100719" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_10072 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26507 ; rdfs:subClassOf obo:CHEBI_26512 . _:b83 rdf:type owl:Restriction . obo:CHEBI_10072 rdfs:subClassOf _:b83 . _:b83 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_38157 . _:b84 rdf:type owl:Restriction . obo:CHEBI_10072 rdfs:subClassOf _:b84 . _:b84 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_61966 . _:b85 rdf:type owl:Restriction . obo:CHEBI_10072 rdfs:subClassOf _:b85 . _:b85 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_72483 . _:b86 rdf:type owl:Restriction . obo:CHEBI_10072 rdfs:subClassOf _:b86 . _:b86 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_75767 . _:b87 rdf:type owl:Restriction . obo:CHEBI_10072 rdfs:subClassOf _:b87 . _:b87 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_71201 . obo:CHEBI_10072 obo:IAO_0000115 "A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by hydroxy groups at C-4 and C-8." ; chebi:charge "0" ; chebi:formula "C10H7NO4" ; chebi:inchi "InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)" ; chebi:inchikey "FBZONXHGGPHHIY-UHFFFAOYSA-N" ; chebi:mass "205.16690" ; chebi:monoisotopicmass "205.03751" ; chebi:smiles "OC(=O)c1cc(O)c2cccc(O)c2n1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10072" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "xanthurenic acid" . obo:CHEBI_100720 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23-,26-,28+/m1/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-BXQNBQJFSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100720" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100721 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C25H30N2O4" ; chebi:inchi "InChI=1S/C25H30N2O4/c1-26(2)18-7-8-22-20(11-18)21-12-19(30-23(15-28)25(21)31-22)13-24(29)27-10-9-16-5-3-4-6-17(16)14-27/h3-8,11,19,21,23,25,28H,9-10,12-15H2,1-2H3/t19-,21-,23+,25+/m0/s1" ; chebi:inchikey "QQFBCVYCCQBHCE-FEGXGRLVSA-N" ; chebi:mass "422.518" ; chebi:monoisotopicmass "422.22056" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100721" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_100722 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H39N3O6" ; chebi:inchi "InChI=1S/C27H39N3O6/c31-17-24-26-22(15-20(35-24)16-25(32)28-8-11-30-9-2-1-3-10-30)21-14-19(4-5-23(21)36-26)29-27(33)18-6-12-34-13-7-18/h4-5,14,18,20,22,24,26,31H,1-3,6-13,15-17H2,(H,28,32)(H,29,33)/t20-,22+,24-,26-/m0/s1" ; chebi:inchikey "XIMMKRXXDKAOMK-YXOQKGKWSA-N" ; chebi:mass "501.616" ; chebi:monoisotopicmass "501.28389" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100722" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100723 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H29N3O5" ; chebi:inchi "InChI=1S/C20H29N3O5/c1-23(2)12-20(26)22-16-9-8-15(28-18(16)13-24)10-19(25)21-11-14-6-4-5-7-17(14)27-3/h4-9,15-16,18,24H,10-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16-,18+/m1/s1" ; chebi:inchikey "YJKUDHPPBXQQCK-NUJGCVRESA-N" ; chebi:mass "391.462" ; chebi:monoisotopicmass "391.21072" ; chebi:smiles "CN(C)CC(=O)N[C@@H]1C=C[C@@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=C2OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100723" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100724 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H21N3OS" ; chebi:inchi "InChI=1S/C19H21N3OS/c1-3-5-13-6-8-14(9-7-13)18-16(10-20)22(17(18)11-23)19-21-15(4-2)12-24-19/h3,5-9,12,16-18,23H,4,11H2,1-2H3/t16-,17-,18+/m0/s1" ; chebi:inchikey "SLFKQKCTISPXPS-OKZBNKHCSA-N" ; chebi:mass "339.456" ; chebi:monoisotopicmass "339.14053" ; chebi:smiles "CCC1=CSC(=N1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C=CC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100724" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12098" . obo:CHEBI_100725 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H30Cl2FN3O4" ; chebi:inchi "InChI=1S/C24H30Cl2FN3O4/c1-15(12-30(16(2)14-31)24(33)28-21-7-5-20(27)6-8-21)22(34-4)13-29(3)23(32)17-9-18(25)11-19(26)10-17/h5-11,15-16,22,31H,12-14H2,1-4H3,(H,28,33)/t15-,16+,22-/m1/s1" ; chebi:inchikey "IBBRHRMMLVXSHB-ZMPRRUGASA-N" ; chebi:mass "514.418" ; chebi:monoisotopicmass "513.15974" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC(=CC(=C2)Cl)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100725" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,5-dichloro-N-[(2S,3R)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_100726 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O5" ; chebi:inchi "InChI=1S/C27H39N5O5/c1-16-12-32(13-20-7-8-20)17(2)15-36-23-11-21(28-27(34)29-25-18(3)30-37-19(25)4)9-10-22(23)26(33)31(5)14-24(16)35-6/h9-11,16-17,20,24H,7-8,12-15H2,1-6H3,(H2,28,29,34)/t16-,17+,24+/m1/s1" ; chebi:inchikey "BVCIWUWSCCLIPT-KCYKTTMJSA-N" ; chebi:mass "513.630" ; chebi:monoisotopicmass "513.29512" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100726" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9S)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea" . obo:CHEBI_100727 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H25ClF3N3O5" ; chebi:inchi "InChI=1S/C25H25ClF3N3O5/c1-32-19-8-7-15(11-22(33)30-13-25(27,28)29)37-21(19)12-36-20-9-6-14(10-17(20)24(32)35)31-23(34)16-4-2-3-5-18(16)26/h2-6,9-10,15,19,21H,7-8,11-13H2,1H3,(H,30,33)(H,31,34)/t15-,19+,21+/m0/s1" ; chebi:inchikey "KEGRQPVLAXHQPZ-NYSBEXSLSA-N" ; chebi:mass "539.932" ; chebi:monoisotopicmass "539.14348" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100727" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide" . obo:CHEBI_100728 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C25H31N5O5S" ; chebi:inchi "InChI=1S/C25H31N5O5S/c1-28-7-9-30(10-8-28)23(31)12-17-4-5-20-22(35-17)13-34-21-6-3-16(11-18(21)25(33)29(20)2)27-24(32)19-14-36-15-26-19/h3,6,11,14-15,17,20,22H,4-5,7-10,12-13H2,1-2H3,(H,27,32)/t17-,20-,22-/m0/s1" ; chebi:inchikey "MBWHXZFHLNKYMT-XJABCFGWSA-N" ; chebi:mass "513.611" ; chebi:monoisotopicmass "513.20459" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100728" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide" . obo:CHEBI_100729 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H25F2N3O5" ; chebi:inchi "InChI=1S/C27H25F2N3O5/c28-17-3-5-22(29)16(8-17)13-31-25(34)11-19-10-21-20-9-18(32-27(35)15-2-1-7-30-12-15)4-6-23(20)37-26(21)24(14-33)36-19/h1-9,12,19,21,24,26,33H,10-11,13-14H2,(H,31,34)(H,32,35)/t19-,21-,24-,26+/m0/s1" ; chebi:inchikey "MRHMXTIRULDPKA-YKNOVDGGSA-N" ; chebi:mass "509.502" ; chebi:monoisotopicmass "509.17623" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100729" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_10073 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23403 ; chebi:charge "0" ; chebi:formula "C14H12O3" ; chebi:inchi "InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3" ; chebi:inchikey "QOTBQNVNUBKJMS-UHFFFAOYSA-N" ; chebi:mass "228.244" ; chebi:monoisotopicmass "228.07864" ; chebi:smiles "CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10073" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xanthyletin" . obo:CHEBI_100730 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H42N4O6" ; chebi:inchi "InChI=1S/C27H42N4O6/c1-6-11-28-27(34)29-21-7-8-22-23(14-21)37-17-19(3)31(25(32)20-9-12-36-13-10-20)15-18(2)24(35-5)16-30(4)26(22)33/h7-8,14,18-20,24H,6,9-13,15-17H2,1-5H3,(H2,28,29,34)/t18-,19-,24+/m1/s1" ; chebi:inchikey "NYJPVGKIWASVOA-IECBHUPTSA-N" ; chebi:mass "518.647" ; chebi:monoisotopicmass "518.31044" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)C(=O)C3CCOCC3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100730" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_100731 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H15FN2O2" ; chebi:inchi "InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16+,17+/m1/s1" ; chebi:inchikey "BPKNALSRVQDTLI-IKGGRYGDSA-N" ; chebi:mass "310.323" ; chebi:monoisotopicmass "310.11176" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@@H](N([C@@H]2C#N)C(=O)C3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100731" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_100732 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H28FN3O5" ; chebi:inchi "InChI=1S/C28H28FN3O5/c29-19-3-1-2-18(10-19)15-31-26(34)14-21-13-23-22-12-20(32-27(35)11-17-6-8-30-9-7-17)4-5-24(22)37-28(23)25(16-33)36-21/h1-10,12,21,23,25,28,33H,11,13-16H2,(H,31,34)(H,32,35)/t21-,23+,25+,28-/m0/s1" ; chebi:inchikey "JTKPUOMASGTZAW-BOYVHMQCSA-N" ; chebi:mass "505.538" ; chebi:monoisotopicmass "505.20130" ; chebi:smiles "C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=CC(=CC=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100732" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_100733 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H24FN3O4" ; chebi:inchi "InChI=1S/C25H24FN3O4/c1-33-25(32)22-19(14-30)21-13-29-20(23(22)28(21)12-15-3-2-10-27-11-15)9-8-18(24(29)31)16-4-6-17(26)7-5-16/h2-11,19,21-23,30H,12-14H2,1H3/t19-,21-,22+,23+/m0/s1" ; chebi:inchikey "VJGVMCSFSOLAAN-KZKAQZJJSA-N" ; chebi:mass "449.475" ; chebi:monoisotopicmass "449.17508" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]1N2CC5=CN=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100733" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12107" . obo:CHEBI_100734 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H21FN2O3" ; chebi:inchi "InChI=1S/C15H21FN2O3/c16-12-4-2-1-3-11(12)15(20)18-13-6-5-10(7-8-17)21-14(13)9-19/h1-4,10,13-14,19H,5-9,17H2,(H,18,20)/t10-,13-,14+/m1/s1" ; chebi:inchikey "DUQQDWAUZUWJHX-HONMWMINSA-N" ; chebi:mass "296.338" ; chebi:monoisotopicmass "296.15362" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CCN)CO)NC(=O)C2=CC=CC=C2F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100734" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide" . obo:CHEBI_100735 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H33FN4O5" ; chebi:inchi "InChI=1S/C26H33FN4O5/c1-16-13-31(18(3)32)17(2)15-36-23-12-21(29-26(34)28-20-8-6-7-19(27)11-20)9-10-22(23)25(33)30(4)14-24(16)35-5/h6-12,16-17,24H,13-15H2,1-5H3,(H2,28,29,34)/t16-,17+,24+/m0/s1" ; chebi:inchikey "MGTDWSJKTZULMI-OBWXTZQISA-N" ; chebi:mass "500.563" ; chebi:monoisotopicmass "500.24350" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100735" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6S,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_100736 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16+,18+,19+/m1/s1" ; chebi:inchikey "LYYREMJMDQKNES-XIVBQZFQSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@@H]1C(=O)N(C[C@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100736" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12110" . obo:CHEBI_100737 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H34F3N3O4" ; chebi:inchi "InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-41-28(20)17-36(3)30(40)35-27-15-9-8-14-26(27)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21+,28-/m1/s1" ; chebi:inchikey "AAENOGRDWGDRJO-PHVLTXCSSA-N" ; chebi:mass "569.616" ; chebi:monoisotopicmass "569.25014" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC=CC=C4C(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100737" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12111" . obo:CHEBI_100738 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26F3N5O4" ; chebi:inchi "InChI=1S/C20H26F3N5O4/c1-31-12-15-10-28(27-26-15)9-8-16-6-7-17(18(11-29)32-16)25-19(30)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,10,16-18,29H,6-9,11-12H2,1H3,(H2,24,25,30)/t16-,17+,18+/m1/s1" ; chebi:inchikey "ZOURSNKVQGBTHH-SQNIBIBYSA-N" ; chebi:mass "457.448" ; chebi:monoisotopicmass "457.19369" ; chebi:smiles "COCC1=CN(N=N1)CC[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100738" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_100739 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32FN3O5S" ; chebi:inchi "InChI=1S/C23H32FN3O5S/c1-17(22(32-4)15-26(3)33(30,31)19-10-6-5-7-11-19)14-27(18(2)16-28)23(29)25-21-13-9-8-12-20(21)24/h5-13,17-18,22,28H,14-16H2,1-4H3,(H,25,29)/t17-,18-,22-/m1/s1" ; chebi:inchikey "PETXHQBGDUFNPW-JBYIUTFZSA-N" ; chebi:mass "481.583" ; chebi:monoisotopicmass "481.20467" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100739" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-4-[benzenesulfonyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_10074 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_35703 ; owl:deprecated true . obo:CHEBI_100740 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30N2O7S" ; chebi:inchi "InChI=1S/C25H30N2O7S/c1-32-17-5-7-19(8-6-17)35(30,31)27-16-4-9-22-20(10-16)21-11-18(33-23(14-28)25(21)34-22)12-24(29)26-13-15-2-3-15/h4-10,15,18,21,23,25,27-28H,2-3,11-14H2,1H3,(H,26,29)/t18-,21+,23-,25-/m1/s1" ; chebi:inchikey "UYFCGOQSYKFWAJ-NGCSHXQWSA-N" ; chebi:mass "502.582" ; chebi:monoisotopicmass "502.17737" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100740" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100741 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H25F2N3O5" ; chebi:inchi "InChI=1S/C27H25F2N3O5/c28-17-3-5-22(29)16(8-17)13-31-25(34)11-19-10-21-20-9-18(32-27(35)15-2-1-7-30-12-15)4-6-23(20)37-26(21)24(14-33)36-19/h1-9,12,19,21,24,26,33H,10-11,13-14H2,(H,31,34)(H,32,35)/t19-,21+,24-,26-/m1/s1" ; chebi:inchikey "MRHMXTIRULDPKA-LTOPPJTRSA-N" ; chebi:mass "509.502" ; chebi:monoisotopicmass "509.17623" ; chebi:smiles "C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100741" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100742 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17-,19+,20-/m1/s1" ; chebi:inchikey "WNHZFTQVONQUSH-WSTLGDPDSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100742" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12116" . obo:CHEBI_100743 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c1-22(2)13-5-6-17-15(7-13)16-8-14(25-18(11-23)20(16)26-17)9-19(24)21-10-12-3-4-12/h5-7,12,14,16,18,20,23H,3-4,8-11H2,1-2H3,(H,21,24)/t14-,16-,18+,20+/m1/s1" ; chebi:inchikey "JLJMCVQNTFDIRA-BIJSTVTOSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100743" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100744 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-13(2)24-21(27)25-18(11-23)20(19(25)12-26)16-5-3-14(4-6-16)15-7-9-17(22)10-8-15/h3-10,13,18-20,26H,12H2,1-2H3,(H,24,27)/t18-,19+,20+/m1/s1" ; chebi:inchikey "GQNJFXBZXQABNJ-AABGKKOBSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CC(C)NC(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100744" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide" . obo:CHEBI_100745 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H39N3O5" ; chebi:inchi "InChI=1S/C25H39N3O5/c1-31-21-6-4-19(5-7-21)15-28-16-20(29)17-32-18-24-23(28)9-8-22(33-24)14-25(30)26-10-13-27-11-2-3-12-27/h4-7,20,22-24,29H,2-3,8-18H2,1H3,(H,26,30)/t20-,22-,23-,24+/m1/s1" ; chebi:inchikey "JSQZMBUYZHIIMM-BUZMGHMJSA-N" ; chebi:mass "461.595" ; chebi:monoisotopicmass "461.28897" ; chebi:smiles "COC1=CC=C(C=C1)CN2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCCN4CCCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100745" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide" . obo:CHEBI_100746 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26961 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H31N3O6S" ; chebi:inchi "InChI=1S/C29H31N3O6S/c1-32-23-10-9-21(15-27(33)30-16-18-5-3-6-20(13-18)36-2)38-25(23)17-37-24-11-8-19(14-22(24)29(32)35)31-28(34)26-7-4-12-39-26/h3-8,11-14,21,23,25H,9-10,15-17H2,1-2H3,(H,30,33)(H,31,34)/t21-,23+,25-/m1/s1" ; chebi:inchikey "DZYZVJKKUJSUJU-NMVJMZGASA-N" ; chebi:mass "549.640" ; chebi:monoisotopicmass "549.19336" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100746" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide" . obo:CHEBI_100747 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H25FN4O5" ; chebi:inchi "InChI=1S/C24H25FN4O5/c25-18-4-2-1-3-17(18)20-12-29(28-27-20)10-9-16-6-7-19(23(13-30)34-16)26-24(31)15-5-8-21-22(11-15)33-14-32-21/h1-5,8,11-12,16,19,23,30H,6-7,9-10,13-14H2,(H,26,31)/t16-,19+,23+/m0/s1" ; chebi:inchikey "RQZDEGSLOUOYBH-XKDCRVNJSA-N" ; chebi:mass "468.478" ; chebi:monoisotopicmass "468.18090" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=C3F)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100747" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100748 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H37FN4O6S" ; chebi:inchi "InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25-,27+/m0/s1" ; chebi:inchikey "TUUZOQPHVDGSNW-RIACCQAKSA-N" ; chebi:mass "588.693" ; chebi:monoisotopicmass "588.24178" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100748" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100749 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H36FN3O3S" ; chebi:inchi "InChI=1S/C31H36FN3O3S/c1-31(2,3)39(38)35-20-23-19-26(30(37)34-15-7-4-8-16-34)33-29(28(23)27(35)14-17-36)22-11-9-10-21(18-22)24-12-5-6-13-25(24)32/h5-6,9-13,18-19,27,36H,4,7-8,14-17,20H2,1-3H3/t27-,39-/m0/s1" ; chebi:inchikey "LDKZHRSADHZSDU-XGFTYPEHSA-N" ; chebi:mass "549.701" ; chebi:monoisotopicmass "549.24614" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4F)C(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100749" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone" . obo:CHEBI_10075 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33853 ; chebi:charge "0" ; chebi:formula "C16H16O3" ; chebi:inchi "InChI=1S/C16H16O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h2-3,5-11,17-18H,4H2,1H3/b3-2+" ; chebi:inchikey "LOHIEGDVOARVPJ-NSCUHMNNSA-N" ; chebi:mass "256.297" ; chebi:monoisotopicmass "256.10994" ; chebi:smiles "COc1cc(O)ccc1C\\C=C\\c1ccc(O)cc1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10075" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xenognosin A" . obo:CHEBI_100750 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-39-29(21)18-33(3)31(37)32-24-11-9-12-25(16-24)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22-,29-/m0/s1" ; chebi:inchikey "WYYHNXRAZIWUBG-SYZUXVNWSA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100750" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12124" . obo:CHEBI_100751 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C26H21N3O3" ; chebi:inchi "InChI=1S/C26H21N3O3/c1-32-21-6-4-5-19(15-21)9-8-18-10-12-20(13-11-18)25-23(16-27)29(24(25)17-30)26(31)22-7-2-3-14-28-22/h2-7,10-15,23-25,30H,17H2,1H3/t23-,24-,25+/m1/s1" ; chebi:inchikey "RQNIZPLHIPGYGU-SDHSZQHLSA-N" ; chebi:mass "423.464" ; chebi:monoisotopicmass "423.15829" ; chebi:smiles "COC1=CC=CC(=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@H](N([C@@H]3C#N)C(=O)C4=CC=CC=N4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100751" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile" . obo:CHEBI_100752 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C17H21FN2O4" ; chebi:inchi "InChI=1S/C17H21FN2O4/c1-20(2)16(22)9-13-7-8-14(15(10-21)24-13)19-17(23)11-3-5-12(18)6-4-11/h3-8,13-15,21H,9-10H2,1-2H3,(H,19,23)/t13-,14-,15+/m1/s1" ; chebi:inchikey "AKLLRXAVVXEIMF-KFWWJZLASA-N" ; chebi:mass "336.359" ; chebi:monoisotopicmass "336.14854" ; chebi:smiles "CN(C)C(=O)C[C@H]1C=C[C@H]([C@@H](O1)CO)NC(=O)C2=CC=C(C=C2)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100752" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide" . obo:CHEBI_100753 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C26H33N3O3" ; chebi:inchi "InChI=1S/C26H33N3O3/c1-17-14-29(18(2)15-30)26(31)25-24(21-11-7-8-12-22(21)28(25)4)20-10-6-5-9-19(20)16-32-23(17)13-27-3/h5-12,17-18,23,27,30H,13-16H2,1-4H3/t17-,18-,23-/m1/s1" ; chebi:inchikey "NEAMIVWIATVNNI-PMAPCBKXSA-N" ; chebi:mass "435.560" ; chebi:monoisotopicmass "435.25219" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CNC)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100753" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12127" . obo:CHEBI_100754 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H26FN3O6S" ; chebi:inchi "InChI=1S/C26H26FN3O6S/c27-17-3-6-20(7-4-17)37(33,34)30-18-5-8-23-21(10-18)22-11-19(35-24(15-31)26(22)36-23)12-25(32)29-14-16-2-1-9-28-13-16/h1-10,13,19,22,24,26,30-31H,11-12,14-15H2,(H,29,32)/t19-,22+,24+,26-/m1/s1" ; chebi:inchikey "MZNDQAVBBCTOIA-WUHHYYHUSA-N" ; chebi:mass "527.567" ; chebi:monoisotopicmass "527.15263" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100754" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_100755 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C26H28N4O3" ; chebi:inchi "InChI=1S/C26H28N4O3/c1-16(17-6-4-3-5-7-17)28-25(32)24-21(15-31)20-14-30-22(23(20)29(24)2)9-8-19(26(30)33)18-10-12-27-13-11-18/h3-13,16,20-21,23-24,31H,14-15H2,1-2H3,(H,28,32)/t16-,20+,21+,23-,24+/m0/s1" ; chebi:inchikey "XRCXBUPUCMDVHO-QXGZYIMISA-N" ; chebi:mass "444.527" ; chebi:monoisotopicmass "444.21614" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@H]3N2C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100755" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methyl-6-oxo-N-[(1S)-1-phenylethyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100756 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H32FN3O4" ; chebi:inchi "InChI=1S/C28H32FN3O4/c1-2-24(34)32-25-21(15-31-23(25)13-12-20(28(31)36)18-6-4-3-5-7-18)22(16-33)26(32)27(35)30-14-17-8-10-19(29)11-9-17/h6,8-13,21-22,25-26,33H,2-5,7,14-16H2,1H3,(H,30,35)/t21-,22-,25+,26-/m0/s1" ; chebi:inchikey "YUSKIZLEIJYDDG-RLBRRGQKSA-N" ; chebi:mass "493.571" ; chebi:monoisotopicmass "493.23768" ; chebi:smiles "CCC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CCCCC4)[C@@H]([C@H]1C(=O)NCC5=CC=C(C=C5)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100756" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclohexenyl)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100757 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36F3N5O5" ; chebi:inchi "InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16+,22-/m0/s1" ; chebi:inchikey "PCJFVZCPKBPEAR-DMPWYTOCSA-N" ; chebi:mass "555.591" ; chebi:monoisotopicmass "555.26685" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100757" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100758 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H28F3N3O5S" ; chebi:inchi "InChI=1S/C19H28F3N3O5S/c1-12-8-23-13(2)10-30-16-7-14(24-31(27,28)11-19(20,21)22)5-6-15(16)18(26)25(3)9-17(12)29-4/h5-7,12-13,17,23-24H,8-11H2,1-4H3/t12-,13-,17+/m1/s1" ; chebi:inchikey "BGDCTPQGAPJUMB-XNJGSVPQSA-N" ; chebi:mass "467.505" ; chebi:monoisotopicmass "467.17018" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100758" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_100759 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C25H31F3N2O5S" ; chebi:inchi "InChI=1S/C25H31F3N2O5S/c1-17-12-30(18(2)14-31)24(32)22-11-7-6-10-21(22)20-9-5-4-8-19(20)15-35-23(17)13-29(3)36(33,34)16-25(26,27)28/h4-11,17-18,23,31H,12-16H2,1-3H3/t17-,18+,23-/m1/s1" ; chebi:inchikey "YLVWKLWKMUPGPR-IEGUWTFLSA-N" ; chebi:mass "528.586" ; chebi:monoisotopicmass "528.19058" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100759" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12133" . obo:CHEBI_10076 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37667 ; chebi:charge "0" ; chebi:formula "C15H18O3" ; chebi:inchi "InChI=1S/C15H18O3/c1-7-4-14-12(9(3)15(17)18-14)5-11-8(2)13(16)6-10(7)11/h7,10,12,14H,3-6H2,1-2H3/t7-,10-,12+,14-/m0/s1" ; chebi:inchikey "UQNONRHPSCIIJO-BNYHBGRESA-N" ; chebi:mass "246.302" ; chebi:monoisotopicmass "246.12559" ; chebi:smiles "C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC2=C(C)C(=O)C[C@@H]12" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10076" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xerantholide" . obo:CHEBI_100760 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H31N3O5" ; chebi:inchi "InChI=1S/C21H31N3O5/c1-28-16-7-5-6-15(12-16)22-21(27)23-18-9-8-17(29-19(18)14-25)13-20(26)24-10-3-2-4-11-24/h5-7,12,17-19,25H,2-4,8-11,13-14H2,1H3,(H2,22,23,27)/t17-,18+,19-/m0/s1" ; chebi:inchikey "LPRUTVLBIHKZIS-OTWHNJEPSA-N" ; chebi:mass "405.489" ; chebi:monoisotopicmass "405.22637" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100760" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea" . obo:CHEBI_100761 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H32N2O7S" ; chebi:inchi "InChI=1S/C21H32N2O7S/c1-28-18-4-2-3-5-20(18)31(26,27)23-17-7-6-16(30-19(17)14-24)8-11-22-21(25)15-9-12-29-13-10-15/h2-5,15-17,19,23-24H,6-14H2,1H3,(H,22,25)/t16-,17+,19-/m1/s1" ; chebi:inchikey "BDFFQCHCBQOAPA-ZIFCJYIRSA-N" ; chebi:mass "456.555" ; chebi:monoisotopicmass "456.19302" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)C3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100761" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide" . obo:CHEBI_100762 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35F2N3O5" ; chebi:inchi "InChI=1S/C27H35F2N3O5/c1-17-12-32(13-19-10-20(28)6-8-23(19)29)18(2)15-37-24-9-7-21(30-26(33)16-35-4)11-22(24)27(34)31(3)14-25(17)36-5/h6-11,17-18,25H,12-16H2,1-5H3,(H,30,33)/t17-,18-,25+/m1/s1" ; chebi:inchikey "ZVOSTPFCAQQCID-GAKIBJFNSA-N" ; chebi:mass "519.582" ; chebi:monoisotopicmass "519.25448" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=C(C=CC(=C3)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100762" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_100763 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H27FN2O5S" ; chebi:inchi "InChI=1S/C20H27FN2O5S/c21-14-6-9-17(10-7-14)29(26,27)23-18-11-8-16(28-19(18)13-24)12-20(25)22-15-4-2-1-3-5-15/h6-11,15-16,18-19,23-24H,1-5,12-13H2,(H,22,25)/t16-,18-,19-/m0/s1" ; chebi:inchikey "VZTWMEPVNSFWIB-WDSOQIARSA-N" ; chebi:mass "426.504" ; chebi:monoisotopicmass "426.16247" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100763" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-cyclohexyl-2-[(2R,3S,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_100764 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C22H28ClN3O4S" ; chebi:inchi "InChI=1S/C22H28ClN3O4S/c23-18-4-2-1-3-15(18)10-25-21(28)9-17-5-6-19-20(30-17)14-29-13-16(27)11-26(19)12-22-24-7-8-31-22/h1-4,7-8,16-17,19-20,27H,5-6,9-14H2,(H,25,28)/t16-,17-,19+,20-/m0/s1" ; chebi:inchikey "VRNJYJIECLSBHX-XEYPJELSSA-N" ; chebi:mass "465.995" ; chebi:monoisotopicmass "465.14891" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=NC=CS3)O)O[C@@H]1CC(=O)NCC4=CC=CC=C4Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100764" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_100765 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5" ; chebi:inchi "InChI=1S/C32H36FN3O5/c1-21-18-36(32(39)25-12-8-9-13-27(25)33)22(2)20-41-28-17-24(34-30(37)16-23-10-6-5-7-11-23)14-15-26(28)31(38)35(3)19-29(21)40-4/h5-15,17,21-22,29H,16,18-20H2,1-4H3,(H,34,37)/t21-,22-,29+/m1/s1" ; chebi:inchikey "QUELGMPZNWRZSJ-QLVXXPONSA-N" ; chebi:mass "561.645" ; chebi:monoisotopicmass "561.26390" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100765" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_100766 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46920 ; chebi:charge "0" ; chebi:formula "C22H39N3O5" ; chebi:inchi "InChI=1S/C22H39N3O5/c1-23-6-8-24(9-7-23)22(27)12-19-2-3-20-21(30-19)16-29-15-18(26)14-25(20)13-17-4-10-28-11-5-17/h17-21,26H,2-16H2,1H3/t18-,19-,20+,21-/m0/s1" ; chebi:inchikey "MTMISLSQWFYTRE-BURNTYAHSA-N" ; chebi:mass "425.563" ; chebi:monoisotopicmass "425.28897" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4CCOCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100766" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_100767 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H33N3O5" ; chebi:inchi "InChI=1S/C18H33N3O5/c1-25-10-9-19-17(23)11-14-7-8-15(16(12-22)26-14)21-18(24)20-13-5-3-2-4-6-13/h13-16,22H,2-12H2,1H3,(H,19,23)(H2,20,21,24)/t14-,15+,16-/m0/s1" ; chebi:inchikey "LJTZBZLXVQJQJX-XHSDSOJGSA-N" ; chebi:mass "371.472" ; chebi:monoisotopicmass "371.24202" ; chebi:smiles "COCCNC(=O)C[C@@H]1CC[C@H]([C@@H](O1)CO)NC(=O)NC2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100767" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6R)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_100768 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C16H21NO5" ; chebi:inchi "InChI=1S/C16H21NO5/c1-17(2)9-3-4-13-11(5-9)12-6-10(7-15(19)20)21-14(8-18)16(12)22-13/h3-5,10,12,14,16,18H,6-8H2,1-2H3,(H,19,20)/t10-,12+,14-,16-/m1/s1" ; chebi:inchikey "MUGALHVVQCOZES-HTWGDNNSSA-N" ; chebi:mass "307.342" ; chebi:monoisotopicmass "307.14197" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100768" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_100769 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33FN2O5S" ; chebi:inchi "InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-37-28(20)17-31(3)38(35,36)24-11-8-10-23(30)15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21+,28+/m1/s1" ; chebi:inchikey "APRVPIVHITUHLQ-GGJMMHKRSA-N" ; chebi:mass "540.648" ; chebi:monoisotopicmass "540.20942" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100769" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12143" . obo:CHEBI_10077 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_37166 ; owl:deprecated true . obo:CHEBI_100770 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O4" ; chebi:inchi "InChI=1S/C27H36N4O4/c1-18-14-31(15-20-9-11-28-12-10-20)19(2)17-35-24-13-22(29-26(32)21-5-6-21)7-8-23(24)27(33)30(3)16-25(18)34-4/h7-13,18-19,21,25H,5-6,14-17H2,1-4H3,(H,29,32)/t18-,19-,25+/m0/s1" ; chebi:inchikey "RHXUULWZVSTJED-XHNVNVPESA-N" ; chebi:mass "480.600" ; chebi:monoisotopicmass "480.27366" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100770" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_100771 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H15FN2O2" ; chebi:inchi "InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16+,17-/m0/s1" ; chebi:inchikey "BPKNALSRVQDTLI-BBWFWOEESA-N" ; chebi:mass "310.323" ; chebi:monoisotopicmass "310.11176" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@H](N([C@H]2C#N)C(=O)C3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100771" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_100772 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H26N2O7S" ; chebi:inchi "InChI=1S/C23H26N2O7S/c1-14-5-3-4-6-21(14)33(29,30)24-15-7-10-19-17(11-15)23(28)25(2)18-9-8-16(12-22(26)27)32-20(18)13-31-19/h3-7,10-11,16,18,20,24H,8-9,12-13H2,1-2H3,(H,26,27)/t16-,18+,20+/m0/s1" ; chebi:inchikey "RXPZKEATMSRBBD-ILZDJORESA-N" ; chebi:mass "474.529" ; chebi:monoisotopicmass "474.14607" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@H](O4)CC(=O)O)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100772" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_100773 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O6S" ; chebi:inchi "InChI=1S/C22H27FN2O6S/c1-30-19-7-2-3-8-21(19)32(28,29)25-18-10-9-17(31-20(18)14-26)12-22(27)24-13-15-5-4-6-16(23)11-15/h2-8,11,17-18,20,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,18+,20-/m1/s1" ; chebi:inchikey "ZNMNRMGCWQWZTD-WSTZPKSXSA-N" ; chebi:mass "466.525" ; chebi:monoisotopicmass "466.15739" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100773" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_100774 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40F3N3O5S" ; chebi:inchi "InChI=1S/C26H40F3N3O5S/c1-18-13-32(14-20-8-6-5-7-9-20)19(2)16-37-23-11-10-21(30-38(34,35)17-26(27,28)29)12-22(23)25(33)31(3)15-24(18)36-4/h10-12,18-20,24,30H,5-9,13-17H2,1-4H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "IQLGILJFFYEPBE-YDIMBITNSA-N" ; chebi:mass "563.675" ; chebi:monoisotopicmass "563.26408" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100774" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide" . obo:CHEBI_100775 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H39N3O8S" ; chebi:inchi "InChI=1S/C25H39N3O8S/c1-33-20-4-2-5-22(14-20)37(31,32)28-16-19(29)17-35-18-24-23(28)7-6-21(36-24)15-25(30)26-8-3-9-27-10-12-34-13-11-27/h2,4-5,14,19,21,23-24,29H,3,6-13,15-18H2,1H3,(H,26,30)/t19-,21+,23+,24-/m1/s1" ; chebi:inchikey "KOAYSPOFMXWQDS-BKXMBWNOSA-N" ; chebi:mass "541.660" ; chebi:monoisotopicmass "541.24579" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCCCN4CCOCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100775" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100776 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H32N2O7S" ; chebi:inchi "InChI=1S/C29H32N2O7S/c1-36-21-8-5-9-23(15-21)39(34,35)31-20-10-11-26-24(14-20)25-16-22(37-27(18-32)29(25)38-26)17-28(33)30-13-12-19-6-3-2-4-7-19/h2-11,14-15,22,25,27,29,31-32H,12-13,16-18H2,1H3,(H,30,33)/t22-,25+,27+,29-/m0/s1" ; chebi:inchikey "AJAMEWYBAUQISK-VWGZZBOQSA-N" ; chebi:mass "552.641" ; chebi:monoisotopicmass "552.19302" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100776" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_100777 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H28FN5O3" ; chebi:inchi "InChI=1S/C20H28FN5O3/c1-2-9-22-20(28)23-17-7-6-16(29-19(17)13-27)8-10-26-12-18(24-25-26)14-4-3-5-15(21)11-14/h3-5,11-12,16-17,19,27H,2,6-10,13H2,1H3,(H2,22,23,28)/t16-,17-,19+/m1/s1" ; chebi:inchikey "BSYBIQMXMHXRRQ-LMMKCTJWSA-N" ; chebi:mass "405.467" ; chebi:monoisotopicmass "405.21762" ; chebi:smiles "CCCNC(=O)N[C@@H]1CC[C@@H](O[C@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100777" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea" . obo:CHEBI_100778 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C36H41N5O3S" ; chebi:inchi "InChI=1S/C36H41N5O3S/c1-36(2,3)45(44)41-23-29-20-31(35(43)38-30-14-17-40(24-30)22-25-9-5-4-6-10-25)39-34(33(29)32(41)15-18-42)27-12-7-11-26(19-27)28-13-8-16-37-21-28/h4-13,16,19-21,30,32,42H,14-15,17-18,22-24H2,1-3H3,(H,38,43)/t30-,32+,45+/m0/s1" ; chebi:inchikey "OXCAKDYULKMTMJ-MSSXPUBGSA-N" ; chebi:mass "623.810" ; chebi:monoisotopicmass "623.29301" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100778" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100779 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21+,23-,25+,27+/m1/s1" ; chebi:inchikey "ISBRQPNQXSURAN-DPQCAWRDSA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100779" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_10078 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17151 ; owl:deprecated true . obo:CHEBI_100780 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17+,19-,20+/m1/s1" ; chebi:inchikey "WNHZFTQVONQUSH-VUBSUSDNSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100780" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12154" . obo:CHEBI_100781 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O6S" ; chebi:inchi "InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18+,20+,22-/m0/s1" ; chebi:inchikey "LWPDCVYPXSZOFH-ZMUPPCTCSA-N" ; chebi:mass "480.964" ; chebi:monoisotopicmass "480.11219" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100781" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100782 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)29-16-18-7-3-1-4-8-18)22-13-20(11-12-24(22)36-27)31-28(34)30-19-9-5-2-6-10-19/h1-13,21,23,25,27,32H,14-17H2,(H,29,33)(H2,30,31,34)/t21-,23+,25-,27-/m1/s1" ; chebi:inchikey "HYQMBLXITOJPAN-WWUYVNTOSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)NCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100782" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide" . obo:CHEBI_100783 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H32N2O5" ; chebi:inchi "InChI=1S/C29H32N2O5/c1-31(2)20-10-13-26-24(14-20)25-15-23(35-27(18-32)29(25)36-26)16-28(33)30-17-19-8-11-22(12-9-19)34-21-6-4-3-5-7-21/h3-14,23,25,27,29,32H,15-18H2,1-2H3,(H,30,33)/t23-,25+,27-,29-/m0/s1" ; chebi:inchikey "MRJCPWMBHXTRFB-KLPDMWAPSA-N" ; chebi:mass "488.576" ; chebi:monoisotopicmass "488.23112" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100783" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_100784 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C25H25N3O4" ; chebi:inchi "InChI=1S/C25H25N3O4/c1-32-25(31)23-20(15-29)19-14-27-21(22(19)28(23)13-17-9-5-6-12-26-17)11-10-18(24(27)30)16-7-3-2-4-8-16/h2-12,19-20,22-23,29H,13-15H2,1H3/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "HHLLHWFWRSRSTM-YXPKMTABSA-N" ; chebi:mass "431.485" ; chebi:monoisotopicmass "431.18451" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@H]2N1CC5=CC=CC=N5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100784" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-7-phenyl-1-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_100785 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N5O4S" ; chebi:inchi "InChI=1S/C22H27N5O4S/c1-16-4-7-19(8-5-16)32(29,30)25-20-9-6-18(31-22(20)15-28)10-12-27-14-21(24-26-27)17-3-2-11-23-13-17/h2-5,7-8,11,13-14,18,20,22,25,28H,6,9-10,12,15H2,1H3/t18-,20-,22+/m0/s1" ; chebi:inchikey "AGCDJJGGWAFKHW-RCZSKKKRSA-N" ; chebi:mass "457.548" ; chebi:monoisotopicmass "457.17838" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CCN3C=C(N=N3)C4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100785" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide" . obo:CHEBI_100786 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O5" ; chebi:inchi "InChI=1S/C24H30N2O5/c1-26(2)16-8-9-21-18(10-16)19-11-17(30-22(14-27)24(19)31-21)12-23(28)25-13-15-6-4-5-7-20(15)29-3/h4-10,17,19,22,24,27H,11-14H2,1-3H3,(H,25,28)/t17-,19-,22+,24+/m0/s1" ; chebi:inchikey "YXRWVZTUBKEEPU-XZGZTLBWSA-N" ; chebi:mass "426.506" ; chebi:monoisotopicmass "426.21547" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=C4OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100786" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100787 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O7" ; chebi:inchi "InChI=1S/C23H34N4O7/c28-14-21-18(26-23(30)25-16-2-5-19-20(12-16)33-15-32-19)4-3-17(34-21)13-22(29)24-6-1-7-27-8-10-31-11-9-27/h2,5,12,17-18,21,28H,1,3-4,6-11,13-15H2,(H,24,29)(H2,25,26,30)/t17-,18-,21-/m1/s1" ; chebi:inchikey "WGFFUWNETOGMCB-DBXWQHBBSA-N" ; chebi:mass "478.540" ; chebi:monoisotopicmass "478.24275" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100787" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100788 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32F2N4O4" ; chebi:inchi "InChI=1S/C25H32F2N4O4/c1-15-12-30(3)16(2)14-35-22-11-18(7-8-19(22)24(32)31(4)13-23(15)34-5)28-25(33)29-21-10-17(26)6-9-20(21)27/h6-11,15-16,23H,12-14H2,1-5H3,(H2,28,29,33)/t15-,16-,23+/m0/s1" ; chebi:inchikey "AKULYVRZEMKLJR-PBPSECFOSA-N" ; chebi:mass "490.544" ; chebi:monoisotopicmass "490.23916" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100788" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100789 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H41N3O5" ; chebi:inchi "InChI=1S/C28H41N3O5/c1-18-15-31(26(32)13-20-9-10-20)19(2)17-36-24-14-22(29-27(33)21-7-5-6-8-21)11-12-23(24)28(34)30(3)16-25(18)35-4/h11-12,14,18-21,25H,5-10,13,15-17H2,1-4H3,(H,29,33)/t18-,19+,25+/m1/s1" ; chebi:inchikey "MFGGAADVNSTJDM-WYEJZRMESA-N" ; chebi:mass "499.643" ; chebi:monoisotopicmass "499.30462" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100789" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_10079 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16772 ; owl:deprecated true . obo:CHEBI_100790 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C25H34N2O5" ; chebi:inchi "InChI=1S/C25H34N2O5/c1-18(13-27(19(2)16-28)25(29)21-8-6-5-7-9-21)24(30-4)15-26(3)14-20-10-11-22-23(12-20)32-17-31-22/h5-12,18-19,24,28H,13-17H2,1-4H3/t18-,19-,24-/m0/s1" ; chebi:inchikey "RDQYWFNTQPCNSM-JXQFQVJHSA-N" ; chebi:mass "442.549" ; chebi:monoisotopicmass "442.24677" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)C1=CC=CC=C1)[C@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100790" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide" . obo:CHEBI_100791 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C9H17NO4" ; chebi:inchi "InChI=1S/C9H17NO4/c1-13-9(12)4-6-2-3-7(10)8(5-11)14-6/h6-8,11H,2-5,10H2,1H3/t6-,7-,8-/m1/s1" ; chebi:inchikey "OCLDGUCQSRMFDC-BWZBUEFSSA-N" ; chebi:mass "203.236" ; chebi:monoisotopicmass "203.11576" ; chebi:smiles "COC(=O)C[C@H]1CC[C@H]([C@H](O1)CO)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100791" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6S)-5-amino-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester" . obo:CHEBI_100792 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C16H26N2O5" ; chebi:inchi "InChI=1S/C16H26N2O5/c1-22-11-15(20)17-13-6-5-12(23-14(13)10-19)9-16(21)18-7-3-2-4-8-18/h5-6,12-14,19H,2-4,7-11H2,1H3,(H,17,20)/t12-,13+,14+/m1/s1" ; chebi:inchikey "BHRCWANBCSKYFS-RDBSUJKOSA-N" ; chebi:mass "326.389" ; chebi:monoisotopicmass "326.18417" ; chebi:smiles "COCC(=O)N[C@H]1C=C[C@@H](O[C@H]1CO)CC(=O)N2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100792" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide" . obo:CHEBI_100793 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H20FNO7S" ; chebi:inchi "InChI=1S/C20H20FNO7S/c21-11-1-4-14(5-2-11)30(26,27)22-12-3-6-17-15(7-12)16-8-13(9-19(24)25)28-18(10-23)20(16)29-17/h1-7,13,16,18,20,22-23H,8-10H2,(H,24,25)/t13-,16-,18-,20+/m1/s1" ; chebi:inchikey "BOKKRFULVUTARF-WGYMDGOUSA-N" ; chebi:mass "437.441" ; chebi:monoisotopicmass "437.09445" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100793" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_100794 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C27H29F2N3O6" ; chebi:inchi "InChI=1S/C27H29F2N3O6/c1-31-22-6-4-18(14-25(33)32-8-10-36-11-9-32)38-24(22)15-37-23-7-3-17(13-19(23)27(31)35)30-26(34)16-2-5-20(28)21(29)12-16/h2-3,5,7,12-13,18,22,24H,4,6,8-11,14-15H2,1H3,(H,30,34)/t18-,22-,24-/m1/s1" ; chebi:inchikey "RISZPRWRWDPXQV-IHLLOCCUSA-N" ; chebi:mass "529.533" ; chebi:monoisotopicmass "529.20244" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100794" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_100795 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H30N2O5" ; chebi:inchi "InChI=1S/C23H30N2O5/c26-12-20-23-18(9-16(29-20)10-21(27)24-11-14-3-4-14)17-8-15(5-6-19(17)30-23)25-22(28)7-13-1-2-13/h5-6,8,13-14,16,18,20,23,26H,1-4,7,9-12H2,(H,24,27)(H,25,28)/t16-,18+,20-,23-/m0/s1" ; chebi:inchikey "WARQVQDGSWZACN-IRLNJFMJSA-N" ; chebi:mass "414.496" ; chebi:monoisotopicmass "414.21547" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100795" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_100796 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H27FN2O6" ; chebi:inchi "InChI=1S/C24H27FN2O6/c1-31-13-23(30)27-15-6-7-20-17(8-15)18-9-16(32-21(12-28)24(18)33-20)10-22(29)26-11-14-4-2-3-5-19(14)25/h2-8,16,18,21,24,28H,9-13H2,1H3,(H,26,29)(H,27,30)/t16-,18-,21+,24+/m1/s1" ; chebi:inchikey "QLCUJBUUXYDXPU-TXLPUILGSA-N" ; chebi:mass "458.480" ; chebi:monoisotopicmass "458.18531" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100796" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_100797 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H36N4O7S" ; chebi:inchi "InChI=1S/C29H36N4O7S/c1-18-8-7-9-23(12-18)41(36,37)33-15-19(2)27(38-6)16-32(5)29(35)24-14-22(10-11-26(24)39-17-20(33)3)30-28(34)25-13-21(4)40-31-25/h7-14,19-20,27H,15-17H2,1-6H3,(H,30,34)/t19-,20-,27-/m1/s1" ; chebi:inchikey "JQKUTVGMEZZDSF-SEXOINJZSA-N" ; chebi:mass "584.686" ; chebi:monoisotopicmass "584.23047" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C4=CC=CC(=C4)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100797" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-methylphenyl)sulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_100798 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C26H29N5O4" ; chebi:inchi "InChI=1S/C26H29N5O4/c32-14-21-20-13-30-22(5-4-19(25(30)33)17-6-8-27-9-7-17)23(20)31(12-18-15-35-16-28-18)24(21)26(34)29-10-2-1-3-11-29/h4-9,15-16,20-21,23-24,32H,1-3,10-14H2/t20-,21-,23+,24-/m1/s1" ; chebi:inchikey "KRPKJWJGWXBFEA-CJTFWIGWSA-N" ; chebi:mass "475.541" ; chebi:monoisotopicmass "475.22195" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@H]3N2CC6=COC=N6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100798" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(4-oxazolylmethyl)-2-[oxo(1-piperidinyl)methyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_100799 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C21H21F2N3O4" ; chebi:inchi "InChI=1S/C21H21F2N3O4/c22-14-7-13(8-15(23)9-14)11-25-20(28)10-16-4-5-17(19(12-27)30-16)26-21(29)18-3-1-2-6-24-18/h1-9,16-17,19,27H,10-12H2,(H,25,28)(H,26,29)/t16-,17-,19-/m0/s1" ; chebi:inchikey "UVJMALWFIRFJAR-LNLFQRSKSA-N" ; chebi:mass "417.407" ; chebi:monoisotopicmass "417.15001" ; chebi:smiles "C1=CC=NC(=C1)C(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=CC(=CC(=C3)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100799" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide" . obo:CHEBI_1008 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15914 ; owl:deprecated true . obo:CHEBI_10080 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28309 ; owl:deprecated true . obo:CHEBI_100800 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C23H27NO8S" ; chebi:inchi "InChI=1S/C23H27NO8S/c25-16-13-24(21-11-8-19(12-23(26)27)32-22(21)15-30-14-16)33(28,29)20-9-6-18(7-10-20)31-17-4-2-1-3-5-17/h1-7,9-10,16,19,21-22,25H,8,11-15H2,(H,26,27)/t16-,19+,21+,22-/m0/s1" ; chebi:inchikey "WUYMKGAOXGWOLL-MQYXYMALSA-N" ; chebi:mass "477.529" ; chebi:monoisotopicmass "477.14574" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)O)O[C@H]1CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100800" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid" . obo:CHEBI_100801 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5S" ; chebi:inchi "InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(25-13-7-9-15-27(25)35(31)4)24-12-6-5-11-23(24)20-41-28(21)18-34(3)42(39,40)29-16-10-8-14-26(29)33/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22-,28+/m1/s1" ; chebi:inchikey "PCQGWFREXHAZIT-XJGOYTCSSA-N" ; chebi:mass "593.711" ; chebi:monoisotopicmass "593.23597" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100801" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12175" . obo:CHEBI_100802 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33FN2O5S" ; chebi:inchi "InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-37-27(20)17-31(3)38(35,36)28-15-9-8-14-26(28)30/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21-,27+/m0/s1" ; chebi:inchikey "QWRJLEHIBFFHOL-NOMHHCBYSA-N" ; chebi:mass "540.648" ; chebi:monoisotopicmass "540.20942" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100802" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12176" . obo:CHEBI_100803 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22+,26-,28-/m1/s1" ; chebi:inchikey "WXIRIDSMDJYJEU-UKTDVOJESA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100803" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100804 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-15-8-9-16-29(28)35(32)4)27-14-7-6-11-24(27)21-42-30(22)19-34(3)43(39,40)26-13-10-12-25(17-26)41-5/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23+,30-/m0/s1" ; chebi:inchikey "ZFRPCBGONKGXGW-BURCIIJTSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100804" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12178" . obo:CHEBI_100805 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29FN4O5S" ; chebi:inchi "InChI=1S/C21H29FN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16+,20+/m1/s1" ; chebi:inchikey "DJBLUNZOFTWTAE-GUXCAODWSA-N" ; chebi:mass "468.544" ; chebi:monoisotopicmass "468.18427" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100805" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_100806 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C19H29N3O4" ; chebi:inchi "InChI=1S/C19H29N3O4/c1-2-21-19(24)9-16-3-4-17-18(26-16)13-25-12-15(23)11-22(17)10-14-5-7-20-8-6-14/h5-8,15-18,23H,2-4,9-13H2,1H3,(H,21,24)/t15-,16-,17+,18-/m0/s1" ; chebi:inchikey "MKIQWJGRPCGZSV-FJIDUMEYSA-N" ; chebi:mass "363.452" ; chebi:monoisotopicmass "363.21581" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2CC3=CC=NC=C3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100806" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(pyridin-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_100807 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-29(2)15-25(32)28-19-7-8-23-21(11-19)22-12-20(34-24(16-31)27(22)35-23)13-26(33)30-10-9-17-5-3-4-6-18(17)14-30/h3-8,11,20,22,24,27,31H,9-10,12-16H2,1-2H3,(H,28,32)/t20-,22-,24+,27+/m0/s1" ; chebi:inchikey "AJOHYGOUUFRWKL-ZMQLRHKASA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100807" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide" . obo:CHEBI_100808 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H29N3O5" ; chebi:inchi "InChI=1S/C25H29N3O5/c29-14-22-24-20(11-18(32-22)12-23(30)27-13-17-6-1-2-9-26-17)19-10-16(7-8-21(19)33-24)28-25(31)15-4-3-5-15/h1-2,6-10,15,18,20,22,24,29H,3-5,11-14H2,(H,27,30)(H,28,31)/t18-,20+,22+,24-/m0/s1" ; chebi:inchikey "WYDHQCWIOCTAOJ-AYEZKCMBSA-N" ; chebi:mass "451.516" ; chebi:monoisotopicmass "451.21072" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100808" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_100809 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21+,22-,27-/m0/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-RJESQKRESA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C(C)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100809" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12183" . obo:CHEBI_10081 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18233 ; owl:deprecated true . obo:CHEBI_100810 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H27Cl2FN2O5" ; chebi:inchi "InChI=1S/C25H27Cl2FN2O5/c26-19-7-5-15(9-20(19)27)11-29-24(32)10-17-6-8-22-23(35-17)14-34-13-16(31)12-30(22)25(33)18-3-1-2-4-21(18)28/h1-5,7,9,16-17,22-23,31H,6,8,10-14H2,(H,29,32)/t16-,17+,22+,23-/m1/s1" ; chebi:inchikey "NLZWENHPOORBAO-YHFSLCLQSA-N" ; chebi:mass "525.398" ; chebi:monoisotopicmass "524.12811" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@@H]1CC(=O)NCC4=CC(=C(C=C4)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100810" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_100811 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H38FN3O4" ; chebi:inchi "InChI=1S/C23H38FN3O4/c1-17(22(30-4)15-26(3)14-19-9-11-31-12-10-19)13-27(18(2)16-28)23(29)25-21-7-5-20(24)6-8-21/h5-8,17-19,22,28H,9-16H2,1-4H3,(H,25,29)/t17-,18+,22-/m1/s1" ; chebi:inchikey "IUSZJOKEOVUDOA-KGVIQGDOSA-N" ; chebi:mass "439.565" ; chebi:monoisotopicmass "439.28463" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2CCOCC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100811" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(4-oxanylmethyl)amino]butyl]urea" . obo:CHEBI_100812 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C31H36N2O6" ; chebi:inchi "InChI=1S/C31H36N2O6/c1-21-17-33(22(2)19-34)30(35)28-12-8-7-11-27(28)26-10-6-5-9-23(26)20-38-29(21)18-32(3)31(36)39-25-15-13-24(37-4)14-16-25/h5-16,21-22,29,34H,17-20H2,1-4H3/t21-,22+,29-/m1/s1" ; chebi:inchikey "FTPUTVYFFNSJIR-UETOGOEVSA-N" ; chebi:mass "532.629" ; chebi:monoisotopicmass "532.25734" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)OC4=CC=C(C=C4)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100812" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12186" . obo:CHEBI_100813 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-9-8-19(11-20(21)23(30)29(3)13-22(15)32-4)28-24(31)27-18-7-5-6-17(25)10-18/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16-,22+/m0/s1" ; chebi:inchikey "WJKSFTDVZIMVMK-PONJGIIJSA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100813" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100814 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H28N2O7S" ; chebi:inchi "InChI=1S/C24H28N2O7S/c27-15-22-24-20(13-17(32-22)14-23(28)26-8-10-31-11-9-26)19-12-16(6-7-21(19)33-24)25-34(29,30)18-4-2-1-3-5-18/h1-7,12,17,20,22,24-25,27H,8-11,13-15H2/t17-,20+,22-,24-/m1/s1" ; chebi:inchikey "CJNJMLGGDUQPOS-LWSJSWBQSA-N" ; chebi:mass "488.555" ; chebi:monoisotopicmass "488.16172" ; chebi:smiles "C1COCCN1C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100814" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide" . obo:CHEBI_100815 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C22H29FN4O6S" ; chebi:inchi "InChI=1S/C22H29FN4O6S/c1-26-11-22(25-14-26)34(30,31)27-10-17(28)12-32-13-20-19(27)6-5-18(33-20)8-21(29)24-9-15-3-2-4-16(23)7-15/h2-4,7,11,14,17-20,28H,5-6,8-10,12-13H2,1H3,(H,24,29)/t17-,18-,19-,20+/m1/s1" ; chebi:inchikey "PSOMVEOYXZFBLO-WTGUMLROSA-N" ; chebi:mass "496.554" ; chebi:monoisotopicmass "496.17918" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4=CC(=CC=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100815" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_100816 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H39N3O6" ; chebi:inchi "InChI=1S/C30H39N3O6/c1-20-17-33(29(35)23-8-6-5-7-9-23)21(2)19-39-26-16-24(31-28(34)22-12-14-38-15-13-22)10-11-25(26)30(36)32(3)18-27(20)37-4/h5-11,16,20-22,27H,12-15,17-19H2,1-4H3,(H,31,34)/t20-,21+,27-/m1/s1" ; chebi:inchikey "ZEGIYGLHXRHVDM-PBDKAQRYSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.28389" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100816" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_100817 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H39N3O4" ; chebi:inchi "InChI=1S/C34H39N3O4/c1-23-19-37(24(2)21-38)34(40)33-32(28-16-10-11-17-29(28)36(33)4)27-15-9-8-14-26(27)22-41-30(23)20-35(3)31(39)18-25-12-6-5-7-13-25/h5-17,23-24,30,38H,18-22H2,1-4H3/t23-,24-,30-/m1/s1" ; chebi:inchikey "BENJSVFNXVDSQO-BOYVUMAVSA-N" ; chebi:mass "553.692" ; chebi:monoisotopicmass "553.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100817" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12191" . obo:CHEBI_100818 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34FN3O6S" ; chebi:inchi "InChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23-,25-,27+/m1/s1" ; chebi:inchikey "PHBUKTREHITDBU-BQGNDZODSA-N" ; chebi:mass "547.641" ; chebi:monoisotopicmass "547.21524" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100818" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100819 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c23-13-19-18(22-28(25,26)14-15-5-2-1-3-6-15)10-9-17(27-19)11-12-21-20(24)16-7-4-8-16/h1-3,5-6,16-19,22-23H,4,7-14H2,(H,21,24)/t17-,18-,19+/m0/s1" ; chebi:inchikey "FGKXCNJDDMNFOM-GBESFXJTSA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "C1CC(C1)C(=O)NCC[C@@H]2CC[C@@H]([C@H](O2)CO)NS(=O)(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100819" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide" . obo:CHEBI_10082 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38976 ; chebi:charge "0" ; chebi:formula "C16H24N2" ; chebi:inchi "InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)" ; chebi:inchikey "HUCJFAOMUPXHDK-UHFFFAOYSA-N" ; chebi:mass "244.376" ; chebi:monoisotopicmass "244.19395" ; chebi:smiles "Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10082" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xylometazoline" . obo:CHEBI_100820 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C21H26N4O4" ; chebi:inchi "InChI=1S/C21H26N4O4/c26-11-15-17-10-24-16(5-4-6-18(24)27)20(25(17)9-14-12-29-13-22-14)19(15)21(28)23-7-2-1-3-8-23/h4-6,12-13,15,17,19-20,26H,1-3,7-11H2/t15-,17-,19+,20+/m0/s1" ; chebi:inchikey "PJVBFVCJEZYLHS-SMMRIJLZSA-N" ; chebi:mass "398.456" ; chebi:monoisotopicmass "398.19541" ; chebi:smiles "C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3CC5=COC=N5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100820" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12194" . obo:CHEBI_100821 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34F3N3O4" ; chebi:inchi "InChI=1S/C24H34F3N3O4/c1-15-12-30(10-9-24(25,26)27)16(2)14-34-20-8-7-18(28-22(31)17-5-6-17)11-19(20)23(32)29(3)13-21(15)33-4/h7-8,11,15-17,21H,5-6,9-10,12-14H2,1-4H3,(H,28,31)/t15-,16-,21-/m0/s1" ; chebi:inchikey "LPOPNFSKLDAMKV-QYWGDWMGSA-N" ; chebi:mass "485.541" ; chebi:monoisotopicmass "485.25014" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100821" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_100822 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H25N3O6S" ; chebi:inchi "InChI=1S/C25H25N3O6S/c1-15-6-3-4-8-21(15)35(32,33)28-20-13-27-19(23(28)22(18(20)14-29)25(31)34-2)10-9-17(24(27)30)16-7-5-11-26-12-16/h3-12,18,20,22-23,29H,13-14H2,1-2H3/t18-,20-,22+,23+/m1/s1" ; chebi:inchikey "IMWJJLFBFPCGES-SQMBMXPBSA-N" ; chebi:mass "495.550" ; chebi:monoisotopicmass "495.14641" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2[C@@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@H]2[C@H]([C@@H]3CO)C(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100822" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12196" . obo:CHEBI_100823 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O5" ; chebi:inchi "InChI=1S/C27H32N2O5/c30-16-24-26-22(14-20(33-24)15-25(31)28-12-11-17-5-2-1-3-6-17)21-13-19(9-10-23(21)34-26)29-27(32)18-7-4-8-18/h1-3,5-6,9-10,13,18,20,22,24,26,30H,4,7-8,11-12,14-16H2,(H,28,31)(H,29,32)/t20-,22-,24+,26+/m0/s1" ; chebi:inchikey "XBPCNRNKOXKUQA-LFSKCEFNSA-N" ; chebi:mass "464.554" ; chebi:monoisotopicmass "464.23112" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100823" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_100824 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H31N5O4" ; chebi:inchi "InChI=1S/C25H31N5O4/c1-28(2)13-21(32)30-20-12-29-19(9-8-17(25(29)34)15-5-4-10-26-11-15)23(30)22(18(20)14-31)24(33)27-16-6-3-7-16/h4-5,8-11,16,18,20,22-23,31H,3,6-7,12-14H2,1-2H3,(H,27,33)/t18-,20-,22+,23+/m1/s1" ; chebi:inchikey "BUXSVEZUKJHFER-SQMBMXPBSA-N" ; chebi:mass "465.546" ; chebi:monoisotopicmass "465.23760" ; chebi:smiles "CN(C)CC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)NC5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100824" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12198" . obo:CHEBI_100825 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C21H22FN3O4" ; chebi:inchi "InChI=1S/C21H22FN3O4/c1-23(2)21(29)18-14(11-26)16-10-24-15(4-3-5-17(24)27)19(18)25(16)20(28)12-6-8-13(22)9-7-12/h3-9,14,16,18-19,26H,10-11H2,1-2H3/t14-,16-,18+,19+/m1/s1" ; chebi:inchikey "BBMUHFCQMOUBDR-JZGRTCEGSA-N" ; chebi:mass "399.416" ; chebi:monoisotopicmass "399.15943" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@@H]1N2C(=O)C4=CC=C(C=C4)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100825" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12199" . obo:CHEBI_100826 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C16H26N2O5" ; chebi:inchi "InChI=1S/C16H26N2O5/c1-22-11-15(20)17-13-6-5-12(23-14(13)10-19)9-16(21)18-7-3-2-4-8-18/h5-6,12-14,19H,2-4,7-11H2,1H3,(H,17,20)/t12-,13+,14-/m1/s1" ; chebi:inchikey "BHRCWANBCSKYFS-HZSPNIEDSA-N" ; chebi:mass "326.389" ; chebi:monoisotopicmass "326.18417" ; chebi:smiles "COCC(=O)N[C@H]1C=C[C@@H](O[C@@H]1CO)CC(=O)N2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100826" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide" . obo:CHEBI_100827 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H28N4O4" ; chebi:inchi "InChI=1S/C22H28N4O4/c27-15-20-19(26-22(29)13-17-3-1-2-9-24-17)5-4-18(30-20)14-21(28)25-12-8-16-6-10-23-11-7-16/h1-3,6-7,9-11,18-20,27H,4-5,8,12-15H2,(H,25,28)(H,26,29)/t18-,19+,20+/m0/s1" ; chebi:inchikey "GUCCOCGWZUYAMY-XUVXKRRUSA-N" ; chebi:mass "412.483" ; chebi:monoisotopicmass "412.21106" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100827" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_100828 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H33N3O4" ; chebi:inchi "InChI=1S/C21H33N3O4/c1-6-7-20(25)23-16-8-9-17-18(10-16)28-13-15(3)22-11-14(2)19(27-5)12-24(4)21(17)26/h8-10,14-15,19,22H,6-7,11-13H2,1-5H3,(H,23,25)/t14-,15+,19-/m0/s1" ; chebi:inchikey "AZDABJQXNZGANX-KHYOSLBOSA-N" ; chebi:mass "391.505" ; chebi:monoisotopicmass "391.24711" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN[C@@H](CO2)C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100828" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100829 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H37N3O5S" ; chebi:inchi "InChI=1S/C30H37N3O5S/c1-30(2,3)39(36)33-19-23-18-25(29(35)31-13-15-37-4)32-28(27(23)26(33)12-14-34)22-10-6-8-20(16-22)21-9-7-11-24(17-21)38-5/h6-11,16-18,26,34H,12-15,19H2,1-5H3,(H,31,35)/t26-,39?/m1/s1" ; chebi:inchikey "NSGNWJNYRBQKFH-ZFPLWWAGSA-N" ; chebi:mass "551.699" ; chebi:monoisotopicmass "551.24539" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)NCCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100829" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10083 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_134209 ; chebi:charge "0" ; chebi:formula "C18H17NO3" ; chebi:inchi "InChI=1S/C18H17NO3/c1-20-12-2-3-13-11(6-12)7-14-16-10(4-5-19-14)8-15-18(17(13)16)22-9-21-15/h2-3,6,8,14,19H,4-5,7,9H2,1H3/t14-/m1/s1" ; chebi:inchikey "RFWCCZDSXIZJMF-CQSZACIVSA-N" ; chebi:mass "295.333" ; chebi:monoisotopicmass "295.12084" ; chebi:smiles "COc1ccc-2c(C[C@H]3NCCc4cc5OCOc5c-2c34)c1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10083" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xylopine" . obo:CHEBI_100830 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30ClN3O5S" ; chebi:inchi "InChI=1S/C23H30ClN3O5S/c1-15-12-25-16(2)14-32-21-11-18(26-33(29,30)19-7-5-6-17(24)10-19)8-9-20(21)23(28)27(3)13-22(15)31-4/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16+,22-/m0/s1" ; chebi:inchikey "PSXVKIUCJIMJLV-DMPWYTOCSA-N" ; chebi:mass "496.021" ; chebi:monoisotopicmass "495.15947" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100830" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_100831 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19-,20+/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-XLNTUCKNSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100831" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_100832 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O6" ; chebi:inchi "InChI=1S/C28H34F3N3O6/c1-17-13-34(10-9-28(29,30)31)18(2)15-38-23-12-20(6-7-21(23)27(36)33(3)14-25(17)37-4)32-26(35)19-5-8-22-24(11-19)40-16-39-22/h5-8,11-12,17-18,25H,9-10,13-16H2,1-4H3,(H,32,35)/t17-,18+,25+/m1/s1" ; chebi:inchikey "RXVPCSLMNQSOJP-UZEJHQAJSA-N" ; chebi:mass "565.582" ; chebi:monoisotopicmass "565.23997" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100832" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100833 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H26N2O7S" ; chebi:inchi "InChI=1S/C23H26N2O7S/c1-14-5-3-4-6-21(14)33(29,30)24-15-7-10-19-17(11-15)23(28)25(2)18-9-8-16(12-22(26)27)32-20(18)13-31-19/h3-7,10-11,16,18,20,24H,8-9,12-13H2,1-2H3,(H,26,27)/t16-,18-,20-/m0/s1" ; chebi:inchikey "RXPZKEATMSRBBD-QRFRQXIXSA-N" ; chebi:mass "474.529" ; chebi:monoisotopicmass "474.14607" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@H](O4)CC(=O)O)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100833" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_100834 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N6O3" ; chebi:inchi "InChI=1S/C20H30N6O3/c1-25(2)12-16-13-26(24-23-16)9-7-17-5-6-18(19(14-27)29-17)22-20(28)10-15-4-3-8-21-11-15/h3-4,8,11,13,17-19,27H,5-7,9-10,12,14H2,1-2H3,(H,22,28)/t17-,18-,19+/m0/s1" ; chebi:inchikey "NKPFHNDONDWVBL-GBESFXJTSA-N" ; chebi:mass "402.491" ; chebi:monoisotopicmass "402.23794" ; chebi:smiles "CN(C)CC1=CN(N=N1)CC[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100834" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_100835 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O7S" ; chebi:inchi "InChI=1S/C24H37N3O7S/c1-16-13-27(23(28)18-8-10-33-11-9-18)17(2)15-34-21-7-6-19(25-35(5,30)31)12-20(21)24(29)26(3)14-22(16)32-4/h6-7,12,16-18,22,25H,8-11,13-15H2,1-5H3/t16-,17-,22+/m0/s1" ; chebi:inchikey "NPOMWXYRXNIYSA-PNLZDCPESA-N" ; chebi:mass "511.633" ; chebi:monoisotopicmass "511.23522" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100835" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-5-[4-oxanyl(oxo)methyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_100836 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23+,26+,28+/m1/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-LCBFVJPYSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100836" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100837 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H30F2N2O6" ; chebi:inchi "InChI=1S/C27H30F2N2O6/c28-17-1-3-22(29)16(9-17)13-30-25(33)12-19-11-21-20-10-18(31-27(34)15-5-7-35-8-6-15)2-4-23(20)37-26(21)24(14-32)36-19/h1-4,9-10,15,19,21,24,26,32H,5-8,11-14H2,(H,30,33)(H,31,34)/t19-,21+,24-,26-/m1/s1" ; chebi:inchikey "UVPONYOZSFJNDG-LTOPPJTRSA-N" ; chebi:mass "516.535" ; chebi:monoisotopicmass "516.20719" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100837" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100838 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H25F4N3O6S" ; chebi:inchi "InChI=1S/C24H25F4N3O6S/c1-31-19-7-6-17(11-22(32)29-15-4-2-3-14(25)9-15)37-21(19)12-36-20-8-5-16(10-18(20)23(31)33)30-38(34,35)13-24(26,27)28/h2-5,8-10,17,19,21,30H,6-7,11-13H2,1H3,(H,29,32)/t17-,19+,21-/m1/s1" ; chebi:inchikey "JANDXLXOJLINPI-SLYNCCJLSA-N" ; chebi:mass "559.532" ; chebi:monoisotopicmass "559.14002" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)CC(F)(F)F)CC(=O)NC4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100838" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(2,2,2-trifluoroethylsulfonylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(3-fluorophenyl)acetamide" . obo:CHEBI_100839 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-19-15-33(16-21-9-10-21)20(2)18-38-26-12-11-23(14-25(26)28(34)32(3)17-27(19)37-5)31-29(35)30-22-7-6-8-24(13-22)36-4/h6-8,11-14,19-21,27H,9-10,15-18H2,1-5H3,(H2,30,31,35)/t19-,20-,27+/m0/s1" ; chebi:inchikey "NFEVTECKVPPYCJ-OWOAZTCBSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100839" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-methoxyphenyl)urea" . obo:CHEBI_10084 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22315 ; chebi:charge "0" ; chebi:formula "C21H25NO4" ; chebi:inchi "InChI=1S/C21H25NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h8-11,17H,5-7,12H2,1-4H3/t17-/m0/s1" ; chebi:inchikey "YOAUKNYXWBTMMF-KRWDZBQOSA-N" ; chebi:mass "355.428" ; chebi:monoisotopicmass "355.17836" ; chebi:smiles "COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2cc1OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10084" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xylopinine" . obo:CHEBI_100840 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21-,22-,23+/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-KJYLGWKASA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100840" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12214" . obo:CHEBI_100841 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C31H36N2O6" ; chebi:inchi "InChI=1S/C31H36N2O6/c1-21-17-33(22(2)19-34)30(35)28-12-8-7-11-27(28)26-10-6-5-9-23(26)20-38-29(21)18-32(3)31(36)39-25-15-13-24(37-4)14-16-25/h5-16,21-22,29,34H,17-20H2,1-4H3/t21-,22-,29-/m0/s1" ; chebi:inchikey "FTPUTVYFFNSJIR-SYZUXVNWSA-N" ; chebi:mass "532.629" ; chebi:monoisotopicmass "532.25734" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OC4=CC=C(C=C4)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100841" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12215" . obo:CHEBI_100842 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C16H21NO7S" ; chebi:inchi "InChI=1S/C16H21NO7S/c1-22-15(19)7-10-6-12-11-5-9(17-25(2,20)21)3-4-13(11)24-16(12)14(8-18)23-10/h3-5,10,12,14,16-18H,6-8H2,1-2H3/t10-,12-,14+,16+/m1/s1" ; chebi:inchikey "STSQWNRYWIJNCW-ILHHOCCXSA-N" ; chebi:mass "371.407" ; chebi:monoisotopicmass "371.10387" ; chebi:smiles "COC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100842" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_100843 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b88 rdf:type owl:Restriction . obo:CHEBI_100843 rdfs:subClassOf _:b88 . _:b88 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_100843 chebi:charge "0" ; chebi:formula "C25H28FN3O3" ; chebi:inchi "InChI=1S/C25H28FN3O3/c26-17-8-6-15(7-9-17)12-27-24(31)22-19(14-30)20-13-29-21(23(22)28-20)11-10-18(25(29)32)16-4-2-1-3-5-16/h4,6-11,19-20,22-23,28,30H,1-3,5,12-14H2,(H,27,31)/t19-,20-,22+,23+/m1/s1" ; chebi:inchikey "NDSDOOPKNRYURC-SCPDWHHUSA-N" ; chebi:mass "437.507" ; chebi:monoisotopicmass "437.21147" ; chebi:smiles "C1CCC(=CC1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4)CN3C2=O)CO)C(=O)NCC5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100843" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12217" . obo:CHEBI_100844 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C17H28N4O3" ; chebi:inchi "InChI=1S/C17H28N4O3/c1-11(2)15-9-21(20-19-15)8-7-13-5-6-14(16(10-22)24-13)18-17(23)12-3-4-12/h9,11-14,16,22H,3-8,10H2,1-2H3,(H,18,23)/t13-,14-,16-/m1/s1" ; chebi:inchikey "TWVDNKQJDYICCW-IIAWOOMASA-N" ; chebi:mass "336.430" ; chebi:monoisotopicmass "336.21614" ; chebi:smiles "CC(C)C1=CN(N=N1)CC[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100844" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]cyclopropanecarboxamide" . obo:CHEBI_100845 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H26FN3O4" ; chebi:inchi "InChI=1S/C23H26FN3O4/c1-4-19(29)27-20-16(17(12-28)21(27)23(31)25(2)3)11-26-18(20)10-9-15(22(26)30)13-5-7-14(24)8-6-13/h5-10,16-17,20-21,28H,4,11-12H2,1-3H3/t16-,17-,20+,21-/m1/s1" ; chebi:inchikey "OMUHXYIQFYOIMG-SGLNWRHMSA-N" ; chebi:mass "427.470" ; chebi:monoisotopicmass "427.19073" ; chebi:smiles "CCC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]([C@@H]1C(=O)N(C)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100845" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100846 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H28N4O4" ; chebi:inchi "InChI=1S/C28H28N4O4/c1-30(2)28(36)25-22(17-33)21-16-31-23(24(21)32(25)27(35)20-9-6-14-29-15-20)13-12-19(26(31)34)11-10-18-7-4-3-5-8-18/h3-15,21-22,24-25,33H,16-17H2,1-2H3/t21-,22-,24+,25-/m1/s1" ; chebi:inchikey "JLXJOKBWOBKOCH-YQIMAOPZSA-N" ; chebi:mass "484.547" ; chebi:monoisotopicmass "484.21106" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]2N1C(=O)C5=CN=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100846" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12220" . obo:CHEBI_100847 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O6" ; chebi:inchi "InChI=1S/C22H29Cl2N3O6/c23-14-7-15(24)9-16(8-14)25-22(30)27-11-17(28)12-32-13-20-19(27)2-1-18(33-20)10-21(29)26-3-5-31-6-4-26/h7-9,17-20,28H,1-6,10-13H2,(H,25,30)/t17-,18-,19-,20+/m1/s1" ; chebi:inchikey "IDLNHXHJUITYBI-WTGUMLROSA-N" ; chebi:mass "502.389" ; chebi:monoisotopicmass "501.14334" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)NC3=CC(=CC(=C3)Cl)Cl)O)O[C@H]1CC(=O)N4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100847" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8R,10aR)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100848 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O6S" ; chebi:inchi "InChI=1S/C22H27FN2O6S/c1-30-19-7-2-3-8-21(19)32(28,29)25-18-10-9-17(31-20(18)14-26)12-22(27)24-13-15-5-4-6-16(23)11-15/h2-8,11,17-18,20,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,18+,20+/m1/s1" ; chebi:inchikey "ZNMNRMGCWQWZTD-HBFSDRIKSA-N" ; chebi:mass "466.525" ; chebi:monoisotopicmass "466.15739" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100848" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_100849 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C18H23ClN2O5" ; chebi:inchi "InChI=1S/C18H23ClN2O5/c1-25-11-18(24)21-15-7-6-14(26-16(15)10-22)8-17(23)20-9-12-2-4-13(19)5-3-12/h2-7,14-16,22H,8-11H2,1H3,(H,20,23)(H,21,24)/t14-,15-,16-/m0/s1" ; chebi:inchikey "XHJSWNOOJCOHJI-JYJNAYRXSA-N" ; chebi:mass "382.839" ; chebi:monoisotopicmass "382.12955" ; chebi:smiles "COCC(=O)N[C@H]1C=C[C@H](O[C@H]1CO)CC(=O)NCC2=CC=C(C=C2)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100849" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxy-1-oxoethyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_10085 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18222 ; owl:deprecated true . obo:CHEBI_100850 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H27Cl2FN2O5" ; chebi:inchi "InChI=1S/C25H27Cl2FN2O5/c26-19-7-5-15(9-20(19)27)11-29-24(32)10-17-6-8-22-23(35-17)14-34-13-16(31)12-30(22)25(33)18-3-1-2-4-21(18)28/h1-5,7,9,16-17,22-23,31H,6,8,10-14H2,(H,29,32)/t16-,17+,22-,23+/m1/s1" ; chebi:inchikey "NLZWENHPOORBAO-RZRCNZQPSA-N" ; chebi:mass "525.398" ; chebi:monoisotopicmass "524.12811" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@@H]1CC(=O)NCC4=CC(=C(C=C4)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100850" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_100851 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23+,29+/m0/s1" ; chebi:inchikey "VHDWJFVGOVHSLC-QFWOEDSFSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100851" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12225" . obo:CHEBI_100852 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23665 ; rdfs:subClassOf obo:CHEBI_50996 ; chebi:charge "0" ; chebi:formula "C33H41N5O5" ; chebi:inchi "InChI=1S/C33H41N5O5/c1-23-19-38(24(2)21-39)32(40)29-11-7-6-10-28(29)27-9-5-4-8-25(27)22-43-30(23)20-36(3)33(41)35-26-12-13-34-31(18-26)37-14-16-42-17-15-37/h4-13,18,23-24,30,39H,14-17,19-22H2,1-3H3,(H,34,35,41)/t23-,24+,30+/m1/s1" ; chebi:inchikey "IOQJCBWFRPGQBJ-QEGDFHJFSA-N" ; chebi:mass "587.710" ; chebi:monoisotopicmass "587.31077" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC(=NC=C4)N5CCOCC5)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100852" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12226" . obo:CHEBI_100853 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C28H38N2O5" ; chebi:inchi "InChI=1S/C28H38N2O5/c1-19(2)17-35-28(33)29(5)15-26-20(3)14-30(21(4)16-31)27(32)25-13-9-8-12-24(25)23-11-7-6-10-22(23)18-34-26/h6-13,19-21,26,31H,14-18H2,1-5H3/t20-,21-,26-/m1/s1" ; chebi:inchikey "BBROUNWBLSFMDY-IPVFLDMMSA-N" ; chebi:mass "482.613" ; chebi:monoisotopicmass "482.27807" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)OCC(C)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100853" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12227" . obo:CHEBI_100854 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21-,22-,27-/m0/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-LFYAFONDSA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C(C)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100854" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12228" . obo:CHEBI_100855 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O4" ; chebi:inchi "InChI=1S/C28H40N4O4/c1-19(2)29-28(34)30-23-12-13-25-24(14-23)27(33)31(5)17-26(35-6)20(3)15-32(21(4)18-36-25)16-22-10-8-7-9-11-22/h7-14,19-21,26H,15-18H2,1-6H3,(H2,29,30,34)/t20-,21+,26-/m0/s1" ; chebi:inchikey "XLOJZIOISXYGBL-UZINWLIJSA-N" ; chebi:mass "496.643" ; chebi:monoisotopicmass "496.30496" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100855" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_100856 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H25N3O6" ; chebi:inchi "InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18+,20+/m1/s1" ; chebi:inchikey "HJRBVKTVNLVVPO-KPFFTGBYSA-N" ; chebi:mass "439.462" ; chebi:monoisotopicmass "439.17434" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100856" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_100857 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H25N3O6" ; chebi:inchi "InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18-,20+/m0/s1" ; chebi:inchikey "HJRBVKTVNLVVPO-XKGZKEIXSA-N" ; chebi:mass "439.462" ; chebi:monoisotopicmass "439.17434" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100857" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_100858 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H25N3O6S" ; chebi:inchi "InChI=1S/C21H25N3O6S/c1-31(27,28)24-13-5-6-18-16(8-13)17-9-15(29-19(12-25)21(17)30-18)10-20(26)23-11-14-4-2-3-7-22-14/h2-8,15,17,19,21,24-25H,9-12H2,1H3,(H,23,26)/t15-,17-,19-,21+/m0/s1" ; chebi:inchikey "JZVGIVMTJSWJDH-WRGRXTPVSA-N" ; chebi:mass "447.507" ; chebi:monoisotopicmass "447.14641" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100858" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100859 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-17-14-31(26(33)20-6-5-11-28-13-20)18(2)16-36-23-10-9-21(29-25(32)19-7-8-19)12-22(23)27(34)30(3)15-24(17)35-4/h5-6,9-13,17-19,24H,7-8,14-16H2,1-4H3,(H,29,32)/t17-,18-,24-/m0/s1" ; chebi:inchikey "DILHJWACXDWAEF-XFAGBWLFSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100859" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(3-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_10086 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36615 ; chebi:charge "0" ; chebi:formula "C27H42O3" ; chebi:inchi "InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1" ; chebi:inchikey "WQLVFSAGQJTQCK-CAKNJAFZSA-N" ; chebi:mass "414.622" ; chebi:monoisotopicmass "414.31340" ; chebi:smiles "C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@H](C)CO1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10086" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Yamogenin" . obo:CHEBI_100860 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C25H31N5O5S" ; chebi:inchi "InChI=1S/C25H31N5O5S/c1-28-7-9-30(10-8-28)23(31)12-17-4-5-20-22(35-17)13-34-21-6-3-16(11-18(21)25(33)29(20)2)27-24(32)19-14-36-15-26-19/h3,6,11,14-15,17,20,22H,4-5,7-10,12-13H2,1-2H3,(H,27,32)/t17-,20+,22+/m1/s1" ; chebi:inchikey "MBWHXZFHLNKYMT-AGHHOFFYSA-N" ; chebi:mass "513.611" ; chebi:monoisotopicmass "513.20459" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100860" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide" . obo:CHEBI_100861 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 . _:b89 rdf:type owl:Restriction . obo:CHEBI_100861 rdfs:subClassOf _:b89 . _:b89 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17154 . obo:CHEBI_100861 chebi:charge "0" ; chebi:formula "C21H30N4O4" ; chebi:inchi "InChI=1S/C21H30N4O4/c26-15-19-18(24-21(28)16-5-4-8-22-14-16)7-6-17(29-19)13-20(27)23-9-12-25-10-2-1-3-11-25/h4-8,14,17-19,26H,1-3,9-13,15H2,(H,23,27)(H,24,28)/t17-,18+,19-/m0/s1" ; chebi:inchikey "VGDFEWNPUKUXSQ-OTWHNJEPSA-N" ; chebi:mass "402.488" ; chebi:monoisotopicmass "402.22671" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100861" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide" . obo:CHEBI_100862 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C16H17N3OS" ; chebi:inchi "InChI=1S/C16H17N3OS/c1-10-11(2)21-16(18-10)19-13(8-17)15(14(19)9-20)12-6-4-3-5-7-12/h3-7,13-15,20H,9H2,1-2H3/t13-,14-,15+/m0/s1" ; chebi:inchikey "AVGQIEGBBUBHIP-SOUVJXGZSA-N" ; chebi:mass "299.392" ; chebi:monoisotopicmass "299.10923" ; chebi:smiles "CC1=C(SC(=N1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=CC=C3)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100862" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-(4,5-dimethyl-2-thiazolyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_100863 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C30H40N4O3S" ; chebi:inchi "InChI=1S/C30H40N4O3S/c1-30(2,3)38(37)34-20-24-19-25(29(36)33-15-13-32(4)14-16-33)31-28(27(24)26(34)12-17-35)23-11-7-10-22(18-23)21-8-5-6-9-21/h7-8,10-11,18-19,26,35H,5-6,9,12-17,20H2,1-4H3/t26-,38-/m0/s1" ; chebi:inchikey "VSPYGNDYHLSTDT-WTMVGVENSA-N" ; chebi:mass "536.731" ; chebi:monoisotopicmass "536.28211" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC(=CC=C3)C4=CCCC4)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100863" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_100864 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-37-29-8-3-2-6-25(29)17-33-31(36)16-27-9-10-28-30(39-27)21-38-20-26(35)19-34(28)18-22-5-4-7-24(15-22)23-11-13-32-14-12-23/h2-8,11-15,26-28,30,35H,9-10,16-21H2,1H3,(H,33,36)/t26-,27-,28+,30-/m0/s1" ; chebi:inchikey "IQZRHVPMCXNVFS-XPMOVWHWSA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC=CC(=C4)C5=CC=NC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100864" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100865 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37N3O5" ; chebi:inchi "InChI=1S/C27H37N3O5/c1-18-14-30(15-21-9-7-8-10-24(21)33-5)19(2)17-35-25-12-11-22(28-20(3)31)13-23(25)27(32)29(4)16-26(18)34-6/h7-13,18-19,26H,14-17H2,1-6H3,(H,28,31)/t18-,19+,26+/m0/s1" ; chebi:inchikey "ZMJDYVBEASXUEV-GNBJCERTSA-N" ; chebi:mass "483.601" ; chebi:monoisotopicmass "483.27332" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100865" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_100866 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H36FN3O5" ; chebi:inchi "InChI=1S/C29H36FN3O5/c1-18-15-33(27(34)13-20-5-6-20)19(2)17-38-25-14-23(31-28(35)21-7-9-22(30)10-8-21)11-12-24(25)29(36)32(3)16-26(18)37-4/h7-12,14,18-20,26H,5-6,13,15-17H2,1-4H3,(H,31,35)/t18-,19+,26-/m1/s1" ; chebi:inchikey "QTFKJTMJQVNOKY-UYXZNNOOSA-N" ; chebi:mass "525.613" ; chebi:monoisotopicmass "525.26390" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100866" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide" . obo:CHEBI_100867 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H33Cl2N3O3" ; chebi:inchi "InChI=1S/C24H33Cl2N3O3/c1-17(13-29(18(2)16-30)14-19-7-5-6-8-22(19)26)23(32-4)15-28(3)24(31)27-21-11-9-20(25)10-12-21/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,27,31)/t17-,18+,23-/m0/s1" ; chebi:inchikey "REZGKQRSIIUNQT-IXFSTUDKSA-N" ; chebi:mass "482.444" ; chebi:monoisotopicmass "481.18990" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)C(=O)NC2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100867" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-chlorophenyl)-1-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methylurea" . obo:CHEBI_100868 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H34N2O6" ; chebi:inchi "InChI=1S/C25H34N2O6/c28-15-22-24-20(13-18(32-22)14-23(29)27-8-2-1-3-9-27)19-12-17(4-5-21(19)33-24)26-25(30)16-6-10-31-11-7-16/h4-5,12,16,18,20,22,24,28H,1-3,6-11,13-15H2,(H,26,30)/t18-,20+,22-,24-/m0/s1" ; chebi:inchikey "SADUCKDCBXEUGG-FVSDWULHSA-N" ; chebi:mass "458.548" ; chebi:monoisotopicmass "458.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100868" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100869 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H24F5N3O4" ; chebi:inchi "InChI=1S/C23H24F5N3O4/c24-15-7-13(8-16(25)9-15)11-29-21(33)10-18-5-6-19(20(12-32)35-18)31-22(34)30-17-3-1-14(2-4-17)23(26,27)28/h1-4,7-9,18-20,32H,5-6,10-12H2,(H,29,33)(H2,30,31,34)/t18-,19-,20-/m0/s1" ; chebi:inchikey "CXBDXCVDLXJCMX-UFYCRDLUSA-N" ; chebi:mass "501.447" ; chebi:monoisotopicmass "501.16870" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NCC2=CC(=CC(=C2)F)F)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100869" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,5-difluorophenyl)methyl]-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_10087 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36615 ; chebi:charge "0" ; chebi:formula "C39H62O12" ; chebi:inchi "InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1" ; chebi:inchikey "HDXIQHTUNGFJIC-SFYWSABLSA-N" ; chebi:mass "722.904" ; chebi:monoisotopicmass "722.42413" ; chebi:smiles "C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@H](C)CO1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10087" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Yamogenin 3-O-neohesperidoside" . obo:CHEBI_100870 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H20FNO6S" ; chebi:inchi "InChI=1S/C15H20FNO6S/c1-22-15(19)8-10-6-7-12(13(9-18)23-10)17-24(20,21)14-5-3-2-4-11(14)16/h2-5,10,12-13,17-18H,6-9H2,1H3/t10-,12-,13+/m0/s1" ; chebi:inchikey "OBZPPVVKYJWSJI-WCFLWFBJSA-N" ; chebi:mass "361.387" ; chebi:monoisotopicmass "361.09954" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@@H]([C@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100870" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester" . obo:CHEBI_100871 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H33N3O5S" ; chebi:inchi "InChI=1S/C20H33N3O5S/c1-15-5-8-17(9-6-15)29(26,27)22-18-10-7-16(28-19(18)14-24)13-20(25)21-11-4-12-23(2)3/h5-6,8-9,16,18-19,22,24H,4,7,10-14H2,1-3H3,(H,21,25)/t16-,18+,19+/m0/s1" ; chebi:inchikey "ZAZOOTZCNDNOOW-QXAKKESOSA-N" ; chebi:mass "427.560" ; chebi:monoisotopicmass "427.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100871" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_100872 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H37FN4O3" ; chebi:inchi "InChI=1S/C29H37FN4O3/c1-21(17-34(22(2)20-35)29(36)32-26-14-12-25(30)13-15-26)28(37-4)19-33(3)18-23-8-10-24(11-9-23)27-7-5-6-16-31-27/h5-16,21-22,28,35H,17-20H2,1-4H3,(H,32,36)/t21-,22+,28+/m0/s1" ; chebi:inchikey "XSSRKRLNCLGOQF-PFPZSTESSA-N" ; chebi:mass "508.629" ; chebi:monoisotopicmass "508.28497" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC=C(C=C2)C3=CC=CC=N3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100872" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea" . obo:CHEBI_100873 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O6" ; chebi:inchi "InChI=1S/C19H32N2O6/c1-2-20-18(23)9-15-3-4-16-17(27-15)12-26-11-14(22)10-21(16)19(24)13-5-7-25-8-6-13/h13-17,22H,2-12H2,1H3,(H,20,23)/t14-,15+,16+,17-/m1/s1" ; chebi:inchikey "MWTQFHHONBVRQP-LTIDMASMSA-N" ; chebi:mass "384.468" ; chebi:monoisotopicmass "384.22604" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)C3CCOCC3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100873" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[4-oxanyl(oxo)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_100874 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H35N3O5" ; chebi:inchi "InChI=1S/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20+,22+,24-/m1/s1" ; chebi:inchikey "GFIPGJIGSRXJBU-HJBWUJCXSA-N" ; chebi:mass "457.563" ; chebi:monoisotopicmass "457.25767" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100874" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea" . obo:CHEBI_100875 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C27H35N3O3" ; chebi:inchi "InChI=1S/C27H35N3O3/c1-18-14-30(19(2)16-31)27(32)26-25(22-12-8-9-13-23(22)29(26)5)21-11-7-6-10-20(21)17-33-24(18)15-28(3)4/h6-13,18-19,24,31H,14-17H2,1-5H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "WKBGSUAXJVLQSN-XLNZFTOWSA-N" ; chebi:mass "449.586" ; chebi:monoisotopicmass "449.26784" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100875" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12249" . obo:CHEBI_100876 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H30N4O6" ; chebi:inchi "InChI=1S/C28H30N4O6/c1-36-20-8-5-17(6-9-20)31-28(35)32-18-7-10-24-22(12-18)23-13-21(37-25(16-33)27(23)38-24)14-26(34)30-15-19-4-2-3-11-29-19/h2-12,21,23,25,27,33H,13-16H2,1H3,(H,30,34)(H2,31,32,35)/t21-,23+,25+,27-/m1/s1" ; chebi:inchikey "FWDZHOQSJMEDFJ-WFHOOFKDSA-N" ; chebi:mass "518.562" ; chebi:monoisotopicmass "518.21653" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100876" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100877 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C21H25N5O3" ; chebi:inchi "InChI=1S/C21H25N5O3/c27-11-15-17-10-25-16(2-1-3-18(25)28)20(26(17)9-13-4-5-13)19(15)21(29)23-8-14-6-7-22-12-24-14/h1-3,6-7,12-13,15,17,19-20,27H,4-5,8-11H2,(H,23,29)/t15-,17-,19+,20+/m1/s1" ; chebi:inchikey "QFGPTMNHKNKAJU-BEKAIBRUSA-N" ; chebi:mass "395.456" ; chebi:monoisotopicmass "395.19574" ; chebi:smiles "C1CC1CN2[C@@H]3CN4C(=O)C=CC=C4[C@H]2[C@H]([C@@H]3CO)C(=O)NCC5=NC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100877" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12251" . obo:CHEBI_100878 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H30N2O6S2" ; chebi:inchi "InChI=1S/C22H30N2O6S2/c1-16-7-3-5-9-21(16)31(26,27)23-14-13-18-11-12-19(20(15-25)30-18)24-32(28,29)22-10-6-4-8-17(22)2/h3-10,18-20,23-25H,11-15H2,1-2H3/t18-,19-,20+/m0/s1" ; chebi:inchikey "NMMAJMJUDCVZMW-SLFFLAALSA-N" ; chebi:mass "482.616" ; chebi:monoisotopicmass "482.15453" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NCC[C@@H]2CC[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100878" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-methylbenzenesulfonamide" . obo:CHEBI_100879 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H35N3O5S" ; chebi:inchi "InChI=1S/C34H35N3O5S/c1-34(2,3)43(40)37-20-26-18-27(33(39)35-19-22-12-13-29-30(16-22)42-21-41-29)36-32(31(26)28(37)14-15-38)25-11-7-10-24(17-25)23-8-5-4-6-9-23/h4-13,16-18,28,38H,14-15,19-21H2,1-3H3,(H,35,39)/t28-,43-/m1/s1" ; chebi:inchikey "ONCHJBADZSUODG-HOHRNCFUSA-N" ; chebi:mass "597.726" ; chebi:monoisotopicmass "597.22974" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100879" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10088 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25036 ; chebi:charge "0" ; chebi:formula "C24H30O8" ; chebi:inchi "InChI=1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3/t15-,16-,21+,22+/m0/s1" ; chebi:inchikey "HRLFUIXSXUASEX-RZTYQLBFSA-N" ; chebi:mass "446.491" ; chebi:monoisotopicmass "446.19407" ; chebi:smiles "COc1cc(cc(OC)c1OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(OC)c(OC)c1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10088" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Yangambin" . obo:CHEBI_100880 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18+,20+,22-,25-/m1/s1" ; chebi:inchikey "ALLGXHRZPBERLG-ITTMOLIUSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100880" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100881 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H34N2O4" ; chebi:inchi "InChI=1S/C27H34N2O4/c1-18-14-29(19(2)16-30)27(32)24-11-7-6-10-23(24)22-9-5-4-8-21(22)17-33-25(18)15-28(3)26(31)20-12-13-20/h4-11,18-20,25,30H,12-17H2,1-3H3/t18-,19+,25-/m0/s1" ; chebi:inchikey "GOHLAUSVLSRLLT-CEYNDMKZSA-N" ; chebi:mass "450.571" ; chebi:monoisotopicmass "450.25186" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4CC4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100881" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12255" . obo:CHEBI_100882 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b90 rdf:type owl:Restriction . obo:CHEBI_100882 rdfs:subClassOf _:b90 . _:b90 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_100882 chebi:charge "0" ; chebi:formula "C19H25N3O2" ; chebi:inchi "InChI=1S/C19H25N3O2/c20-13-16-19(15-7-3-1-4-8-15)17(14-23)22(16)18(24)9-12-21-10-5-2-6-11-21/h1,3-4,7-8,16-17,19,23H,2,5-6,9-12,14H2/t16-,17-,19+/m1/s1" ; chebi:inchikey "DNWBFORDJWKZCR-LMMKCTJWSA-N" ; chebi:mass "327.421" ; chebi:monoisotopicmass "327.19468" ; chebi:smiles "C1CCN(CC1)CCC(=O)N2[C@@H]([C@H]([C@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100882" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_100883 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C32H39N3O5" ; chebi:inchi "InChI=1S/C32H39N3O5/c1-22-18-35(23(2)20-36)31(37)29-12-8-7-11-28(29)27-10-6-5-9-25(27)21-40-30(22)19-34(3)32(38)33-17-24-13-15-26(39-4)16-14-24/h5-16,22-23,30,36H,17-21H2,1-4H3,(H,33,38)/t22-,23-,30-/m1/s1" ; chebi:inchikey "BRMWAKMKOMKLLH-IQLGONJTSA-N" ; chebi:mass "545.670" ; chebi:monoisotopicmass "545.28897" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100883" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12257" . obo:CHEBI_100884 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C16H25N3O5S" ; chebi:inchi "InChI=1S/C16H25N3O5S/c1-2-25(22,23)19-14-7-6-13(24-15(14)11-20)9-16(21)18-10-12-5-3-4-8-17-12/h3-5,8,13-15,19-20H,2,6-7,9-11H2,1H3,(H,18,21)/t13-,14+,15+/m0/s1" ; chebi:inchikey "MEPVQKQIDHVRNZ-RRFJBIMHSA-N" ; chebi:mass "371.454" ; chebi:monoisotopicmass "371.15149" ; chebi:smiles "CCS(=O)(=O)N[C@@H]1CC[C@H](O[C@@H]1CO)CC(=O)NCC2=CC=CC=N2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100884" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100885 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22-,26-,28+/m1/s1" ; chebi:inchikey "WXIRIDSMDJYJEU-DFQMGKBUSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100885" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100886 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H37FN4O6S" ; chebi:inchi "InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25+,27-/m0/s1" ; chebi:inchikey "TUUZOQPHVDGSNW-RWUBSVTLSA-N" ; chebi:mass "588.693" ; chebi:monoisotopicmass "588.24178" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100886" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100887 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C15H26N2O6" ; chebi:inchi "InChI=1S/C15H26N2O6/c1-2-5-16-15(21)17-7-10(18)8-22-9-13-12(17)4-3-11(23-13)6-14(19)20/h10-13,18H,2-9H2,1H3,(H,16,21)(H,19,20)/t10-,11-,12-,13+/m0/s1" ; chebi:inchikey "DUBDZBJJIAHCBK-ZDEQEGDKSA-N" ; chebi:mass "330.377" ; chebi:monoisotopicmass "330.17909" ; chebi:smiles "CCCNC(=O)N1C[C@@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100887" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(propylamino)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid" . obo:CHEBI_100888 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H34N2O6" ; chebi:inchi "InChI=1S/C31H34N2O6/c34-25-17-33(16-21-6-13-28-29(14-21)38-20-37-28)27-12-11-26(39-30(27)19-36-18-25)15-31(35)32-24-9-7-23(8-10-24)22-4-2-1-3-5-22/h1-10,13-14,25-27,30,34H,11-12,15-20H2,(H,32,35)/t25-,26-,27+,30-/m1/s1" ; chebi:inchikey "OJBHRHOQEWVARJ-KMFVSHEXSA-N" ; chebi:mass "530.613" ; chebi:monoisotopicmass "530.24169" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC4=C(C=C3)OCO4)O)O[C@H]1CC(=O)NC5=CC=C(C=C5)C6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100888" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_100889 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21+,23-,25+,27+/m0/s1" ; chebi:inchikey "ISBRQPNQXSURAN-DDMNXORRSA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100889" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_10089 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; rdfs:subClassOf obo:CHEBI_75885 ; chebi:charge "0" ; chebi:formula "C15H14O4" ; chebi:inchi "InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+" ; chebi:inchikey "XLHIYUYCSMZCCC-VMPITWQZSA-N" ; chebi:mass "258.270" ; chebi:monoisotopicmass "258.08921" ; chebi:smiles "COc1ccc(cc1)\\C=C\\c1cc(OC)cc(=O)o1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10089" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Yangonin" . obo:CHEBI_100890 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H15FN2O3S" ; chebi:inchi "InChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(22,23)20-15(10-19)17(16(20)11-21)12-4-2-1-3-5-12/h1-9,15-17,21H,11H2/t15-,16-,17-/m1/s1" ; chebi:inchikey "LIAUQGYQVCFFMZ-BRWVUGGUSA-N" ; chebi:mass "346.378" ; chebi:monoisotopicmass "346.07874" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@H](N([C@@H]2C#N)S(=O)(=O)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100890" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_100891 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-17-14-31(27(34)22-7-5-6-12-28-22)18(2)16-36-23-13-20(29-25(32)19-8-9-19)10-11-21(23)26(33)30(3)15-24(17)35-4/h5-7,10-13,17-19,24H,8-9,14-16H2,1-4H3,(H,29,32)/t17-,18-,24+/m1/s1" ; chebi:inchikey "ICZJHRYDJKYLQD-GGUMNFRJSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100891" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_100892 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H39N3O5" ; chebi:inchi "InChI=1S/C25H39N3O5/c1-31-21-6-4-19(5-7-21)15-28-16-20(29)17-32-18-24-23(28)9-8-22(33-24)14-25(30)26-10-13-27-11-2-3-12-27/h4-7,20,22-24,29H,2-3,8-18H2,1H3,(H,26,30)/t20-,22+,23-,24+/m0/s1" ; chebi:inchikey "JSQZMBUYZHIIMM-KELGSRBJSA-N" ; chebi:mass "461.595" ; chebi:monoisotopicmass "461.28897" ; chebi:smiles "COC1=CC=C(C=C1)CN2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCCN4CCCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100892" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide" . obo:CHEBI_100893 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H25FN4O3" ; chebi:inchi "InChI=1S/C25H25FN4O3/c26-17-3-1-16(2-4-17)18-5-6-21-23-22(19(14-31)20(29-23)13-30(21)25(18)33)24(32)28-12-9-15-7-10-27-11-8-15/h1-8,10-11,19-20,22-23,29,31H,9,12-14H2,(H,28,32)/t19-,20-,22+,23+/m1/s1" ; chebi:inchikey "FVDKOQJIZWFRLQ-SCPDWHHUSA-N" ; chebi:mass "448.490" ; chebi:monoisotopicmass "448.19107" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2)C3=CC=C(C(=O)N31)C4=CC=C(C=C4)F)C(=O)NCCC5=CC=NC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100893" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12267" . obo:CHEBI_100894 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H32N2O7S" ; chebi:inchi "InChI=1S/C29H32N2O7S/c1-36-21-8-5-9-23(15-21)39(34,35)31-20-10-11-26-24(14-20)25-16-22(37-27(18-32)29(25)38-26)17-28(33)30-13-12-19-6-3-2-4-7-19/h2-11,14-15,22,25,27,29,31-32H,12-13,16-18H2,1H3,(H,30,33)/t22-,25-,27-,29+/m1/s1" ; chebi:inchikey "AJAMEWYBAUQISK-AMOMVJEUSA-N" ; chebi:mass "552.641" ; chebi:monoisotopicmass "552.19302" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100894" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_100895 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O5" ; chebi:inchi "InChI=1S/C35H42N4O5/c1-23-19-39(24(2)21-40)34(41)33-32(29-12-8-9-13-30(29)38(33)4)28-11-7-6-10-26(28)22-44-31(23)20-37(3)35(42)36-18-25-14-16-27(43-5)17-15-25/h6-17,23-24,31,40H,18-22H2,1-5H3,(H,36,42)/t23-,24+,31+/m1/s1" ; chebi:inchikey "GHOSBDATJBJZOG-OXYPMYLPSA-N" ; chebi:mass "598.733" ; chebi:monoisotopicmass "598.31552" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100895" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12269" . obo:CHEBI_100896 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C25H37FN2O4" ; chebi:inchi "InChI=1S/C25H37FN2O4/c26-20-8-6-18(7-9-20)13-27-25(30)12-22-10-11-23-24(32-22)17-31-16-21(29)15-28(23)14-19-4-2-1-3-5-19/h6-9,19,21-24,29H,1-5,10-17H2,(H,27,30)/t21-,22+,23+,24-/m1/s1" ; chebi:inchikey "CEWCLCSAKAWIOS-NAVOZUGXSA-N" ; chebi:mass "448.572" ; chebi:monoisotopicmass "448.27374" ; chebi:smiles "C1CCC(CC1)CN2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC=C(C=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100896" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-(cyclohexylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_100897 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C31H36N2O6" ; chebi:inchi "InChI=1S/C31H36N2O6/c1-21-17-33(22(2)19-34)30(35)28-12-8-7-11-27(28)26-10-6-5-9-23(26)20-38-29(21)18-32(3)31(36)39-25-15-13-24(37-4)14-16-25/h5-16,21-22,29,34H,17-20H2,1-4H3/t21-,22-,29+/m1/s1" ; chebi:inchikey "FTPUTVYFFNSJIR-QLVXXPONSA-N" ; chebi:mass "532.629" ; chebi:monoisotopicmass "532.25734" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OC4=CC=C(C=C4)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100897" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12271" . obo:CHEBI_100898 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C31H35N3O6" ; chebi:inchi "InChI=1S/C31H35N3O6/c1-20-15-34(21(2)17-35)30(36)26-11-7-6-10-25(26)24-9-5-4-8-22(24)18-38-29(20)16-33(3)31(37)32-23-12-13-27-28(14-23)40-19-39-27/h4-14,20-21,29,35H,15-19H2,1-3H3,(H,32,37)/t20-,21+,29+/m0/s1" ; chebi:inchikey "APWUXYFXBMGRIO-BNJCFXFUSA-N" ; chebi:mass "545.627" ; chebi:monoisotopicmass "545.25259" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100898" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12272" . obo:CHEBI_100899 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H29N3O6S" ; chebi:inchi "InChI=1S/C22H29N3O6S/c1-30-20-10-6-5-9-18(20)24-22(27)25-19-12-11-16(31-21(19)15-26)13-14-23-32(28,29)17-7-3-2-4-8-17/h2-10,16,19,21,23,26H,11-15H2,1H3,(H2,24,25,27)/t16-,19-,21+/m0/s1" ; chebi:inchikey "XDPGLRIFEVLTPI-NBHGPNQESA-N" ; chebi:mass "463.549" ; chebi:monoisotopicmass "463.17771" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100899" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_1009 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18206 ; owl:deprecated true . obo:CHEBI_100900 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClF2N2O4S" ; chebi:inchi "InChI=1S/C23H31ClF2N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17-,23-/m1/s1" ; chebi:inchikey "UIWWHFNWICLZIF-SEPYTNNBSA-N" ; chebi:mass "505.020" ; chebi:monoisotopicmass "504.16611" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100900" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2R,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_100901 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34FN3O6S" ; chebi:inchi "InChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23+,25+,27-/m0/s1" ; chebi:inchikey "PHBUKTREHITDBU-NOGZMFEUSA-N" ; chebi:mass "547.641" ; chebi:monoisotopicmass "547.21524" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100901" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100902 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H29N3O6S" ; chebi:inchi "InChI=1S/C22H29N3O6S/c1-30-20-10-6-5-9-18(20)24-22(27)25-19-12-11-16(31-21(19)15-26)13-14-23-32(28,29)17-7-3-2-4-8-17/h2-10,16,19,21,23,26H,11-15H2,1H3,(H2,24,25,27)/t16-,19-,21-/m0/s1" ; chebi:inchikey "XDPGLRIFEVLTPI-LRQRDZAKSA-N" ; chebi:mass "463.549" ; chebi:monoisotopicmass "463.17771" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100902" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_100903 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H36N2O5" ; chebi:inchi "InChI=1S/C21H36N2O5/c24-17-12-23(11-16-5-7-26-8-6-16)19-4-3-18(28-20(19)14-27-13-17)9-21(25)22-10-15-1-2-15/h15-20,24H,1-14H2,(H,22,25)/t17-,18+,19-,20+/m0/s1" ; chebi:inchikey "NCINSYYDRJCYKJ-ZGXWSNOMSA-N" ; chebi:mass "396.522" ; chebi:monoisotopicmass "396.26242" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3CCOCC3)O)O[C@H]1CC(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100903" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100904 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30ClFN2O6S2" ; chebi:inchi "InChI=1S/C22H30ClFN2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-18(23)12-21)22(32-4)14-25(3)33(28,29)20-10-8-19(24)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17-,22+/m1/s1" ; chebi:inchikey "KNLROJRONDBMAV-YVHKJVDXSA-N" ; chebi:mass "537.068" ; chebi:monoisotopicmass "536.12178" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100904" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_100905 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H33N5O5" ; chebi:inchi "InChI=1S/C23H33N5O5/c1-32-19-7-3-2-6-17(19)24-22(30)25-18-9-8-16(33-20(18)15-29)10-13-28-14-21(26-27-28)23(31)11-4-5-12-23/h2-3,6-7,14,16,18,20,29,31H,4-5,8-13,15H2,1H3,(H2,24,25,30)/t16-,18+,20+/m1/s1" ; chebi:inchikey "OLUPXTRBOWIZHH-KPFFTGBYSA-N" ; chebi:mass "459.540" ; chebi:monoisotopicmass "459.24817" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CCN3C=C(N=N3)C4(CCCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100905" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6R)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_100906 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H25N3O3" ; chebi:inchi "InChI=1S/C22H25N3O3/c1-24(2)13-21(27)25-18(12-23)22(19(25)14-26)16-10-8-15(9-11-16)17-6-4-5-7-20(17)28-3/h4-11,18-19,22,26H,13-14H2,1-3H3/t18-,19-,22-/m0/s1" ; chebi:inchikey "IQHJIJSRQPJLPZ-IPJJNNNSSA-N" ; chebi:mass "379.453" ; chebi:monoisotopicmass "379.18959" ; chebi:smiles "CN(C)CC(=O)N1[C@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100906" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_100907 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21+,23-,25+,27+/m0/s1" ; chebi:inchikey "SNGIXDWGPLKZOT-DDMNXORRSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100907" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100908 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H31N3O7S" ; chebi:inchi "InChI=1S/C21H31N3O7S/c1-4-32(27,28)23-14-5-8-18-16(11-14)21(26)24(2)17-7-6-15(31-19(17)13-30-18)12-20(25)22-9-10-29-3/h5,8,11,15,17,19,23H,4,6-7,9-10,12-13H2,1-3H3,(H,22,25)/t15-,17+,19+/m0/s1" ; chebi:inchikey "RVSYYJUWHXUHRD-KVSKMBFKSA-N" ; chebi:mass "469.554" ; chebi:monoisotopicmass "469.18827" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@H](O3)CC(=O)NCCOC)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100908" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_100909 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O7" ; chebi:inchi "InChI=1S/C25H34N4O7/c1-15-11-29(23(30)14-33-5)16(2)13-35-21-8-7-18(26-24(31)20-9-17(3)36-27-20)10-19(21)25(32)28(4)12-22(15)34-6/h7-10,15-16,22H,11-14H2,1-6H3,(H,26,31)/t15-,16-,22+/m1/s1" ; chebi:inchikey "QUVWWXZLNVGVGD-MCFFVMPBSA-N" ; chebi:mass "502.561" ; chebi:monoisotopicmass "502.24275" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100909" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_100910 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C17H28N2O4" ; chebi:inchi "InChI=1S/C17H28N2O4/c20-10-15-14(19-17(22)12-2-1-3-12)7-6-13(23-15)8-16(21)18-9-11-4-5-11/h11-15,20H,1-10H2,(H,18,21)(H,19,22)/t13-,14-,15-/m1/s1" ; chebi:inchikey "MSNHHRRUCLPTHC-RBSFLKMASA-N" ; chebi:mass "324.416" ; chebi:monoisotopicmass "324.20491" ; chebi:smiles "C1CC(C1)C(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NCC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100910" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide" . obo:CHEBI_100911 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H35N5O3S" ; chebi:inchi "InChI=1S/C34H35N5O3S/c1-34(2,3)43(42)39-22-28-20-29(33(41)37-17-13-23-11-15-36-16-12-23)38-32(31(28)30(39)14-18-40)27-6-4-5-26(19-27)25-9-7-24(21-35)8-10-25/h4-12,15-16,19-20,30,40H,13-14,17-18,22H2,1-3H3,(H,37,41)/t30-,43-/m1/s1" ; chebi:inchikey "SEESJXJXYIRQQP-QHKNHCAJSA-N" ; chebi:mass "593.741" ; chebi:monoisotopicmass "593.24606" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100911" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100912 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H29N3O5" ; chebi:inchi "InChI=1S/C20H29N3O5/c1-23(2)12-20(26)22-16-9-8-15(28-18(16)13-24)10-19(25)21-11-14-6-4-5-7-17(14)27-3/h4-9,15-16,18,24H,10-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,18+/m0/s1" ; chebi:inchikey "YJKUDHPPBXQQCK-LZLYRXPVSA-N" ; chebi:mass "391.462" ; chebi:monoisotopicmass "391.21072" ; chebi:smiles "CN(C)CC(=O)N[C@@H]1C=C[C@H](O[C@@H]1CO)CC(=O)NCC2=CC=CC=C2OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100912" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100913 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-14(2)27-22(32)30-10-15(3)20(35-6)11-29(5)21(31)18-9-17(7-8-19(18)36-12-16(30)4)28-37(33,34)13-23(24,25)26/h7-9,14-16,20,28H,10-13H2,1-6H3,(H,27,32)/t15-,16+,20-/m1/s1" ; chebi:inchikey "XOJAHRJNCMVABE-GQIGUUNPSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100913" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_100914 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H34N6O4S" ; chebi:inchi "InChI=1S/C30H34N6O4S/c1-19-14-36(15-21-12-31-18-32-13-21)20(2)17-40-25-10-9-22(11-23(25)30(38)35(3)16-26(19)39-4)33-28(37)29-34-24-7-5-6-8-27(24)41-29/h5-13,18-20,26H,14-17H2,1-4H3,(H,33,37)/t19-,20-,26+/m1/s1" ; chebi:inchikey "AMMFZKQUXZGGMQ-KYTVRQNUSA-N" ; chebi:mass "574.696" ; chebi:monoisotopicmass "574.23622" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CN=CN=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100914" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_100915 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H38N4O6S" ; chebi:inchi "InChI=1S/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20+,27-/m1/s1" ; chebi:inchikey "HAVPCKYPPPKWEI-IOKPGSKQSA-N" ; chebi:mass "594.724" ; chebi:monoisotopicmass "594.25121" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100915" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12289" . obo:CHEBI_100916 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c32-17-24-26-22(14-20(35-24)15-25(33)29-9-12-31-10-2-1-3-11-31)21-13-19(6-7-23(21)36-26)30-27(34)18-5-4-8-28-16-18/h4-8,13,16,20,22,24,26,32H,1-3,9-12,14-15,17H2,(H,29,33)(H,30,34)/t20-,22-,24-,26+/m1/s1" ; chebi:inchikey "SWOCEPZEXMNKQZ-DFICYWPVSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100916" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100917 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H25N3O5S" ; chebi:inchi "InChI=1S/C21H25N3O5S/c1-13(14-7-4-3-5-8-14)22-21(27)20-16(12-25)15-11-23-17(9-6-10-18(23)26)19(15)24(20)30(2,28)29/h3-10,13,15-16,19-20,25H,11-12H2,1-2H3,(H,22,27)/t13-,15+,16+,19-,20+/m0/s1" ; chebi:inchikey "LURAPRBVZDLHCY-FQCQXKDLSA-N" ; chebi:mass "431.507" ; chebi:monoisotopicmass "431.15149" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2S(=O)(=O)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100917" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100918 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H40N4O5" ; chebi:inchi "InChI=1S/C25H40N4O5/c1-8-9-23(30)26-19-10-11-20-21(12-19)34-16-18(3)29(24(31)15-27(4)5)13-17(2)22(33-7)14-28(6)25(20)32/h10-12,17-18,22H,8-9,13-16H2,1-7H3,(H,26,30)/t17-,18+,22-/m0/s1" ; chebi:inchikey "REUNTGUOEHKOBZ-SVMVAKDDSA-N" ; chebi:mass "476.610" ; chebi:monoisotopicmass "476.29987" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C(=O)CN(C)C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100918" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100919 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-6-10-28-23(33)29-18-7-8-19-20(12-18)35-15-17(3)31(11-9-24(25,26)27)13-16(2)21(34-5)14-30(4)22(19)32/h7-8,12,16-17,21H,6,9-11,13-15H2,1-5H3,(H2,28,29,33)/t16-,17-,21+/m1/s1" ; chebi:inchikey "VNTQRTFIXZLISU-LZJOCLMNSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CCC(F)(F)F)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100919" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_10092 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_61778 ; chebi:charge "0" ; chebi:formula "C43H68O15" ; chebi:inchi "InChI=1S/C43H68O15/c1-38(2)25-10-13-42(6)26(9-8-21-22-18-39(3,37(53)54-7)14-16-43(22,36(51)52)17-15-41(21,42)5)40(25,4)12-11-27(38)57-34-32(50)30(48)33(24(20-45)56-34)58-35-31(49)29(47)28(46)23(19-44)55-35/h8,22-35,44-50H,9-20H2,1-7H3,(H,51,52)/t22-,23+,24+,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,35-,39-,40-,41+,42+,43-/m0/s1" ; chebi:inchikey "IDTIOCYBMWJUGJ-JEEHKKCPSA-N" ; chebi:mass "824.993" ; chebi:monoisotopicmass "824.45582" ; chebi:smiles "COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10092" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Yiamoloside B" . obo:CHEBI_100920 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22+,27-,28-/m1/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-JGZRHYTASA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H]4CCCN4C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100920" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12294" . obo:CHEBI_100921 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_8107 ; owl:deprecated true . obo:CHEBI_100922 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; rdfs:subClassOf obo:CHEBI_25340 ; rdfs:subClassOf obo:CHEBI_38733 . _:b91 rdf:type owl:Restriction . obo:CHEBI_100922 rdfs:subClassOf _:b91 . _:b91 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_91202 . obo:CHEBI_100922 obo:IAO_0000115 "A member of the class of imidazoles carrying tert-butyl, 1,3-benzodioxol-5-yl and 6-methylpyridin-2-yl substituents at positions 2, 4 and 5 respectively." ; chebi:charge "0" ; chebi:formula "C20H21N3O2" ; chebi:inchi "InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)" ; chebi:inchikey "WGZOTBUYUFBEPZ-UHFFFAOYSA-N" ; chebi:mass "335.400" ; chebi:monoisotopicmass "335.16338" ; chebi:smiles "N1=C(C=CC=C1C=2NC(=NC2C3=CC=4OCOC4C=C3)C(C)(C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100922" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "SB 505124" . obo:CHEBI_100923 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H32F3N3O4S" ; chebi:inchi "InChI=1S/C29H32F3N3O4S/c1-28(2,3)40(38)35-16-21-15-23(27(37)33-17-29(30,31)32)34-26(25(21)24(35)11-12-36)20-9-5-7-18(13-20)19-8-6-10-22(14-19)39-4/h5-10,13-15,24,36H,11-12,16-17H2,1-4H3,(H,33,37)/t24-,40-/m1/s1" ; chebi:inchikey "ZACPEVQRHPQJRQ-MMVPYHRJSA-N" ; chebi:mass "575.644" ; chebi:monoisotopicmass "575.20656" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100923" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100924 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O7" ; chebi:inchi "InChI=1S/C28H34N2O7/c1-34-23-5-3-2-4-18(23)15-29-26(32)14-20-13-22-21-12-19(30-28(33)17-8-10-35-11-9-17)6-7-24(21)37-27(22)25(16-31)36-20/h2-7,12,17,20,22,25,27,31H,8-11,13-16H2,1H3,(H,29,32)(H,30,33)/t20-,22-,25-,27+/m1/s1" ; chebi:inchikey "FSAONXZLMNAVLZ-GKYRZQBGSA-N" ; chebi:mass "510.580" ; chebi:monoisotopicmass "510.23660" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100924" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100925 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H22Cl2N2O5S" ; chebi:inchi "InChI=1S/C21H22Cl2N2O5S/c22-17-8-6-14(10-18(17)23)12-24-21(27)11-15-7-9-19(20(13-26)30-15)25-31(28,29)16-4-2-1-3-5-16/h1-10,15,19-20,25-26H,11-13H2,(H,24,27)/t15-,19+,20+/m1/s1" ; chebi:inchikey "LRDWIZFOJOHHOT-XPGWFJOJSA-N" ; chebi:mass "485.383" ; chebi:monoisotopicmass "484.06265" ; chebi:smiles "C1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100925" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_100926 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H37ClN2O4" ; chebi:inchi "InChI=1S/C25H37ClN2O4/c26-20-8-4-7-19(11-20)14-28-15-21(29)16-31-17-24-23(28)10-9-22(32-24)12-25(30)27-13-18-5-2-1-3-6-18/h4,7-8,11,18,21-24,29H,1-3,5-6,9-10,12-17H2,(H,27,30)/t21-,22+,23+,24-/m0/s1" ; chebi:inchikey "UWGYAIIPASVTSB-KEZOAJOQSA-N" ; chebi:mass "465.026" ; chebi:monoisotopicmass "464.24419" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100926" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_100927 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H34N4O6" ; chebi:inchi "InChI=1S/C27H34N4O6/c1-30-9-11-31(12-10-30)25(33)15-20-14-22-21-13-18(5-8-23(21)37-26(22)24(16-32)36-20)29-27(34)28-17-3-6-19(35-2)7-4-17/h3-8,13,20,22,24,26,32H,9-12,14-16H2,1-2H3,(H2,28,29,34)/t20-,22+,24-,26-/m0/s1" ; chebi:inchikey "OQZDFPDHTDCUCP-YXOQKGKWSA-N" ; chebi:mass "510.583" ; chebi:monoisotopicmass "510.24783" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100927" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_100928 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H42N4O4" ; chebi:inchi "InChI=1S/C31H42N4O4/c1-21-17-35(22(2)19-36)31(38)30-29(25-13-9-10-14-26(25)34(30)6)24-12-8-7-11-23(24)20-39-27(21)18-33(5)28(37)15-16-32(3)4/h7-14,21-22,27,36H,15-20H2,1-6H3/t21-,22+,27-/m1/s1" ; chebi:inchikey "UPHSEAQPRHOHRJ-UMTXDNHDSA-N" ; chebi:mass "534.691" ; chebi:monoisotopicmass "534.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCN(C)C)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100928" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12301" . obo:CHEBI_100929 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)29-16-18-7-3-1-4-8-18)22-13-20(11-12-24(22)36-27)31-28(34)30-19-9-5-2-6-10-19/h1-13,21,23,25,27,32H,14-17H2,(H,29,33)(H2,30,31,34)/t21-,23+,25-,27-/m0/s1" ; chebi:inchikey "HYQMBLXITOJPAN-HFFYFMGZSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)NCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100929" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide" . obo:CHEBI_10093 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48565 . _:b92 rdf:type owl:Restriction . obo:CHEBI_10093 rdfs:subClassOf _:b92 . _:b92 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131787 . _:b93 rdf:type owl:Restriction . obo:CHEBI_10093 rdfs:subClassOf _:b93 . _:b93 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_37890 . _:b94 rdf:type owl:Restriction . obo:CHEBI_10093 rdfs:subClassOf _:b94 . _:b94 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_48279 . _:b95 rdf:type owl:Restriction . obo:CHEBI_10093 rdfs:subClassOf _:b95 . _:b95 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_35633 . obo:CHEBI_10093 obo:IAO_0000115 "An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina." ; chebi:charge "0" ; chebi:formula "C21H26N2O3" ; chebi:inchi "InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1" ; chebi:inchikey "BLGXFZZNTVWLAY-SCYLSFHTSA-N" ; chebi:mass "354.44282" ; chebi:monoisotopicmass "354.19434" ; chebi:smiles "[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCc3c1[nH]c1ccccc31)C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10093" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "yohimbine" . obo:CHEBI_100930 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21-,22-,23-/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-PQRDQUNWSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100930" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12303" . obo:CHEBI_100931 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H26ClN3O5S" ; chebi:inchi "InChI=1S/C21H26ClN3O5S/c22-17-5-1-2-6-20(17)31(28,29)24-11-9-16-7-8-18(19(14-26)30-16)25-21(27)12-15-4-3-10-23-13-15/h1-6,10,13,16,18-19,24,26H,7-9,11-12,14H2,(H,25,27)/t16-,18-,19-/m0/s1" ; chebi:inchikey "WMHOVAQHNBVIPJ-WDSOQIARSA-N" ; chebi:mass "467.968" ; chebi:monoisotopicmass "467.12817" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCNS(=O)(=O)C2=CC=CC=C2Cl)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100931" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_100932 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24-,25-,31-/m1/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-GTEDWBNGSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100932" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12305" . obo:CHEBI_100933 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H35FN4O6S" ; chebi:inchi "InChI=1S/C30H35FN4O6S/c1-20-17-35(29(36)13-22-7-6-12-32-16-22)21(2)19-41-27-11-10-24(15-26(27)30(37)34(3)18-28(20)40-4)33-42(38,39)25-9-5-8-23(31)14-25/h5-12,14-16,20-21,28,33H,13,17-19H2,1-4H3/t20-,21+,28-/m1/s1" ; chebi:inchikey "XXZJPGUPXRETOH-PHVLTXCSSA-N" ; chebi:mass "598.688" ; chebi:monoisotopicmass "598.22613" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100933" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_100934 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H29N3O5" ; chebi:inchi "InChI=1S/C20H29N3O5/c1-23(2)12-20(26)22-16-9-8-15(28-18(16)13-24)10-19(25)21-11-14-6-4-5-7-17(14)27-3/h4-9,15-16,18,24H,10-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,18+/m1/s1" ; chebi:inchikey "YJKUDHPPBXQQCK-RYRKJORJSA-N" ; chebi:mass "391.462" ; chebi:monoisotopicmass "391.21072" ; chebi:smiles "CN(C)CC(=O)N[C@H]1C=C[C@@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=C2OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100934" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100935 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C29H35N3O3" ; chebi:inchi "InChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-24(25)20-35-28(21)18-31(3)17-23-12-14-30-15-13-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22-,28-/m0/s1" ; chebi:inchikey "KEOFNYFHDQHRAV-VPYPWEPUSA-N" ; chebi:mass "473.608" ; chebi:monoisotopicmass "473.26784" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=NC=C4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100935" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12308" . obo:CHEBI_100936 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C20H25N3O3" ; chebi:inchi "InChI=1S/C20H25N3O3/c1-2-3-15-4-6-16(7-5-15)20-17(12-21)23(18(20)14-24)19(25)13-22-8-10-26-11-9-22/h2-7,17-18,20,24H,8-11,13-14H2,1H3/t17-,18+,20+/m1/s1" ; chebi:inchikey "KJLVFPZXKUGLPF-HBFSDRIKSA-N" ; chebi:mass "355.432" ; chebi:monoisotopicmass "355.18959" ; chebi:smiles "CC=CC1=CC=C(C=C1)[C@@H]2[C@@H](N([C@@H]2C#N)C(=O)CN3CCOCC3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100936" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12309" . obo:CHEBI_100937 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25FN2O6" ; chebi:inchi "InChI=1S/C24H25FN2O6/c1-27-19-9-8-15(12-22(28)31-2)33-21(19)13-32-20-10-7-14(11-17(20)24(27)30)26-23(29)16-5-3-4-6-18(16)25/h3-7,10-11,15,19,21H,8-9,12-13H2,1-2H3,(H,26,29)/t15-,19+,21-/m0/s1" ; chebi:inchikey "QVBIDJFZXMTPPC-DLVCFXQMSA-N" ; chebi:mass "456.464" ; chebi:monoisotopicmass "456.16966" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100937" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_100938 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c30-17-23-21(28-25(32)22-16-26-10-11-27-22)7-6-20(33-23)15-24(31)29-12-8-19(9-13-29)14-18-4-2-1-3-5-18/h1-7,10-11,16,19-21,23,30H,8-9,12-15,17H2,(H,28,32)/t20-,21+,23+/m0/s1" ; chebi:inchikey "USGDOGGJJOICMT-QZNHQXDQSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "C1CN(CCC1CC2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@H]([C@H](O3)CO)NC(=O)C4=NC=CN=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100938" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide" . obo:CHEBI_100939 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C33H34N4O5S" ; chebi:inchi "InChI=1S/C33H34N4O5S/c1-33(2,3)43(40)37-19-25-17-26(32(39)35-18-21-7-8-28-29(15-21)42-20-41-28)36-31(30(25)27(37)11-14-38)24-6-4-5-23(16-24)22-9-12-34-13-10-22/h4-10,12-13,15-17,27,38H,11,14,18-20H2,1-3H3,(H,35,39)/t27-,43-/m1/s1" ; chebi:inchikey "OLAATLBQFXJPIK-ACXULAKISA-N" ; chebi:mass "598.714" ; chebi:monoisotopicmass "598.22499" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100939" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10094 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_16670 ; chebi:charge "0" ; chebi:formula "C20H32N8O5" ; chebi:inchi "InChI=1S/C20H32N8O5/c21-18(22)25-10-4-8-14(28-20(32)33-12-13-6-2-1-3-7-13)16(29)27-15(17(30)31)9-5-11-26-19(23)24/h1-3,6-7,14-15H,4-5,8-12H2,(H,27,29)(H,28,32)(H,30,31)(H4,21,22,25)(H4,23,24,26)/t14-,15-/m0/s1" ; chebi:inchikey "BIRZKUUPHCQOPK-GJZGRUSLSA-N" ; chebi:mass "464.519" ; chebi:monoisotopicmass "464.24957" ; chebi:smiles "NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10094" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Z-Arg-Arg" . obo:CHEBI_100940 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27ClN4O4" ; chebi:inchi "InChI=1S/C22H27ClN4O4/c23-15-4-6-16(7-5-15)26-22(30)27-19-9-8-18(31-20(19)14-28)10-12-25-21(29)13-17-3-1-2-11-24-17/h1-7,11,18-20,28H,8-10,12-14H2,(H,25,29)(H2,26,27,30)/t18-,19-,20-/m1/s1" ; chebi:inchikey "JTIOTWTUDVMQPE-VAMGGRTRSA-N" ; chebi:mass "446.928" ; chebi:monoisotopicmass "446.17208" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCNC(=O)CC2=CC=CC=N2)CO)NC(=O)NC3=CC=C(C=C3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100940" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_100941 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19+,20+/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-XCLNPWKQSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100941" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_100942 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H29ClF2N2O4" ; chebi:inchi "InChI=1S/C25H29ClF2N2O4/c26-18-3-1-16(2-4-18)11-29-25(32)10-21-6-8-23-24(34-21)15-33-14-20(31)13-30(23)12-17-9-19(27)5-7-22(17)28/h1-5,7,9,20-21,23-24,31H,6,8,10-15H2,(H,29,32)/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "VYCGBAYEGCCJIH-ZQRMPTRQSA-N" ; chebi:mass "494.959" ; chebi:monoisotopicmass "494.17839" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=C(C=CC(=C3)F)F)O)O[C@@H]1CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100942" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100943 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H39N3O7S" ; chebi:inchi "InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23-,25+,27-,28+/m0/s1" ; chebi:inchikey "IXXIZSABFJAVRH-UNYYBDMVSA-N" ; chebi:mass "573.703" ; chebi:monoisotopicmass "573.25087" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100943" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_100944 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-39-29(21)18-33(3)31(37)32-24-11-9-12-25(16-24)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22-,29-/m1/s1" ; chebi:inchikey "WYYHNXRAZIWUBG-IEOSBIPESA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100944" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12317" . obo:CHEBI_100945 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H39N3O5" ; chebi:inchi "InChI=1S/C34H39N3O5/c1-22-17-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-26(27)21-42-30(22)19-35(3)18-24-10-9-12-25(16-24)34(40)41/h5-16,22-23,30,38H,17-21H2,1-4H3,(H,40,41)/t22-,23+,30+/m0/s1" ; chebi:inchikey "LTECXWQWCPQLLD-DDFCPOBKSA-N" ; chebi:mass "569.692" ; chebi:monoisotopicmass "569.28897" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100945" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12318" . obo:CHEBI_100946 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31FN4O4" ; chebi:inchi "InChI=1S/C24H31FN4O4/c1-15-12-26-16(2)14-33-21-11-19(28-24(31)27-18-7-5-6-17(25)10-18)8-9-20(21)23(30)29(3)13-22(15)32-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16-,22+/m1/s1" ; chebi:inchikey "BTAIGOZCFZRKBT-MCFFVMPBSA-N" ; chebi:mass "458.527" ; chebi:monoisotopicmass "458.23293" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100946" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100947 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O5" ; chebi:inchi "InChI=1S/C27H32N2O5/c30-16-24-26-22(14-20(33-24)15-25(31)28-12-11-17-5-2-1-3-6-17)21-13-19(9-10-23(21)34-26)29-27(32)18-7-4-8-18/h1-3,5-6,9-10,13,18,20,22,24,26,30H,4,7-8,11-12,14-16H2,(H,28,31)(H,29,32)/t20-,22-,24-,26+/m0/s1" ; chebi:inchikey "XBPCNRNKOXKUQA-IFPZXYOKSA-N" ; chebi:mass "464.554" ; chebi:monoisotopicmass "464.23112" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100947" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_100948 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H26F3N3O3" ; chebi:inchi "InChI=1S/C23H26F3N3O3/c1-14(15-6-3-2-4-7-15)27-22(32)20-16(13-30)18-12-29-17(8-5-9-19(29)31)21(20)28(18)11-10-23(24,25)26/h2-9,14,16,18,20-21,30H,10-13H2,1H3,(H,27,32)/t14-,16-,18-,20+,21+/m0/s1" ; chebi:inchikey "LOVSINJIWNBKBE-NNPDCFOJSA-N" ; chebi:mass "449.467" ; chebi:monoisotopicmass "449.19263" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3CCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100948" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12321" . obo:CHEBI_100949 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H40N6O6" ; chebi:inchi "InChI=1S/C33H40N6O6/c1-20-31(21(2)45-37-20)36-33(42)35-23-9-12-28-26(15-23)32(41)38(3)27-11-10-25(44-29(27)19-43-28)16-30(40)34-24-13-14-39(18-24)17-22-7-5-4-6-8-22/h4-9,12,15,24-25,27,29H,10-11,13-14,16-19H2,1-3H3,(H,34,40)(H2,35,36,42)/t24-,25+,27-,29+/m1/s1" ; chebi:inchikey "JZQJXXSKGFWMTL-IMBSVQIASA-N" ; chebi:mass "616.709" ; chebi:monoisotopicmass "616.30093" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@H](O4)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100949" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_10095 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_16670 ; chebi:charge "0" ; chebi:formula "C30H39N9O6" ; chebi:inchi "InChI=1S/C30H39N9O6/c1-18-15-25(40)45-24-16-20(11-12-21(18)24)37-26(41)22(9-5-13-35-28(31)32)38-27(42)23(10-6-14-36-29(33)34)39-30(43)44-17-19-7-3-2-4-8-19/h2-4,7-8,11-12,15-16,22-23H,5-6,9-10,13-14,17H2,1H3,(H,37,41)(H,38,42)(H,39,43)(H4,31,32,35)(H4,33,34,36)/t22-,23-/m0/s1" ; chebi:inchikey "DLELKZFCVLJXKZ-GOTSBHOMSA-N" ; chebi:mass "621.689" ; chebi:monoisotopicmass "621.30233" ; chebi:smiles "Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc3ccccc3)ccc12" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10095" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Z-Arg-Arg-NHMec" . obo:CHEBI_100950 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H33N3O4S2" ; chebi:inchi "InChI=1S/C21H33N3O4S2/c1-16-6-8-19(9-7-16)30(26,27)24(18(3)15-25)12-17(2)20(28-5)13-23(4)14-21-22-10-11-29-21/h6-11,17-18,20,25H,12-15H2,1-5H3/t17-,18-,20+/m1/s1" ; chebi:inchikey "APKXKRHWPGHKNH-GGPKGHCWSA-N" ; chebi:mass "455.637" ; chebi:monoisotopicmass "455.19125" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@H](CN(C)CC2=NC=CS2)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100950" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]-4-methylbenzenesulfonamide" . obo:CHEBI_100951 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-13(2)24-21(27)25-18(11-23)20(19(25)12-26)16-5-3-14(4-6-16)15-7-9-17(22)10-8-15/h3-10,13,18-20,26H,12H2,1-2H3,(H,24,27)/t18-,19-,20+/m0/s1" ; chebi:inchikey "GQNJFXBZXQABNJ-SLFFLAALSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CC(C)NC(=O)N1[C@H]([C@@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100951" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide" . obo:CHEBI_100952 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O6S" ; chebi:inchi "InChI=1S/C28H40N4O6S/c1-18(2)29-28(34)32-15-20(4)26(37-7)16-31(6)27(33)24-14-22(10-13-25(24)38-17-21(32)5)30-39(35,36)23-11-8-19(3)9-12-23/h8-14,18,20-21,26,30H,15-17H2,1-7H3,(H,29,34)/t20-,21+,26-/m0/s1" ; chebi:inchikey "AEHXNEHGWHBDEN-UZINWLIJSA-N" ; chebi:mass "560.708" ; chebi:monoisotopicmass "560.26686" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100952" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_100953 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O5S" ; chebi:inchi "InChI=1S/C24H33N3O5S/c1-17-13-25-18(2)15-32-22-11-10-20(12-21(22)24(28)27(3)14-23(17)31-4)26-33(29,30)16-19-8-6-5-7-9-19/h5-12,17-18,23,25-26H,13-16H2,1-4H3/t17-,18+,23+/m1/s1" ; chebi:inchikey "ITUDOLAPOXZKHG-STSQHVNTSA-N" ; chebi:mass "475.603" ; chebi:monoisotopicmass "475.21409" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100953" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide" . obo:CHEBI_100954 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN2O6S2" ; chebi:inchi "InChI=1S/C21H27FN2O6S2/c22-17-6-9-19(10-7-17)32(28,29)24-20-11-8-18(30-21(20)14-25)12-13-23-31(26,27)15-16-4-2-1-3-5-16/h1-7,9-10,18,20-21,23-25H,8,11-15H2/t18-,20-,21-/m0/s1" ; chebi:inchikey "ZTKNNPSVJPUDLJ-JBACZVJFSA-N" ; chebi:mass "486.580" ; chebi:monoisotopicmass "486.12946" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100954" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_100955 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O6" ; chebi:inchi "InChI=1S/C21H28N2O6/c1-27-19(25)10-14-9-16-15-8-13(23-21(26)22-12-4-2-3-5-12)6-7-17(15)29-20(16)18(11-24)28-14/h6-8,12,14,16,18,20,24H,2-5,9-11H2,1H3,(H2,22,23,26)/t14-,16-,18-,20+/m0/s1" ; chebi:inchikey "KXSIODNMTPRENB-PFSLXQJOSA-N" ; chebi:mass "404.458" ; chebi:monoisotopicmass "404.19474" ; chebi:smiles "COC(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4CCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100955" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_100956 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C28H34N2O5" ; chebi:inchi "InChI=1S/C28H34N2O5/c31-23-16-30(28(33)12-19-6-2-1-3-7-19)25-11-10-24(35-26(25)18-34-17-23)15-27(32)29-22-13-20-8-4-5-9-21(20)14-22/h1-9,22-26,31H,10-18H2,(H,29,32)/t23-,24+,25-,26+/m0/s1" ; chebi:inchikey "JKLIXGQQXOXZKK-ROXDYWFKSA-N" ; chebi:mass "478.581" ; chebi:monoisotopicmass "478.24677" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)CC3=CC=CC=C3)O)O[C@H]1CC(=O)NC4CC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100956" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(1-oxo-2-phenylethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_100957 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N5O4" ; chebi:inchi "InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18+,23+/m0/s1" ; chebi:inchikey "ZGJMWZDWXNCIBA-YZZKKUAISA-N" ; chebi:mass "469.577" ; chebi:monoisotopicmass "469.26890" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100957" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_100958 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H25N3OS" ; chebi:inchi "InChI=1S/C22H25N3OS/c1-2-18-13-24-22(27-18)25-19(12-23)21(20(25)14-26)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h6,8-11,13,19-21,26H,2-5,7,14H2,1H3/t19-,20+,21-/m1/s1" ; chebi:inchikey "DBVJKEGLTFFIFT-QHAWAJNXSA-N" ; chebi:mass "379.520" ; chebi:monoisotopicmass "379.17183" ; chebi:smiles "CCC1=CN=C(S1)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CCCCC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100958" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100959 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C25H31F3N2O5S" ; chebi:inchi "InChI=1S/C25H31F3N2O5S/c1-17-12-30(18(2)14-31)24(32)22-11-7-6-10-21(22)20-9-5-4-8-19(20)15-35-23(17)13-29(3)36(33,34)16-25(26,27)28/h4-11,17-18,23,31H,12-16H2,1-3H3/t17-,18+,23-/m0/s1" ; chebi:inchikey "YLVWKLWKMUPGPR-IXFSTUDKSA-N" ; chebi:mass "528.586" ; chebi:monoisotopicmass "528.19058" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)CC(F)(F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100959" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12332" . obo:CHEBI_10096 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_16670 ; chebi:charge "0" ; chebi:formula "C15H18N2O5" ; chebi:inchi "InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1" ; chebi:inchikey "ZTUKZKYDJMGJDC-LBPRGKRZSA-N" ; chebi:mass "306.314" ; chebi:monoisotopicmass "306.12157" ; chebi:smiles "OC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10096" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Z-Gly-Pro" . obo:CHEBI_100960 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C31H30FN3O7" ; chebi:inchi "InChI=1S/C31H30FN3O7/c1-35-24-9-8-20(14-29(36)33-15-18-6-10-26-27(12-18)41-17-40-26)42-28(24)16-39-25-11-7-19(13-22(25)31(35)38)34-30(37)21-4-2-3-5-23(21)32/h2-7,10-13,20,24,28H,8-9,14-17H2,1H3,(H,33,36)(H,34,37)/t20-,24-,28-/m1/s1" ; chebi:inchikey "GPWYEVCXUJXIOI-ZQSLEGLSSA-N" ; chebi:mass "575.585" ; chebi:monoisotopicmass "575.20678" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100960" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide" . obo:CHEBI_100961 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35ClN2O4S" ; chebi:inchi "InChI=1S/C24H35ClN2O4S/c1-18-10-12-22(13-11-18)32(29,30)26(4)16-24(31-5)19(2)14-27(20(3)17-28)15-21-8-6-7-9-23(21)25/h6-13,19-20,24,28H,14-17H2,1-5H3/t19-,20-,24-/m0/s1" ; chebi:inchikey "OWPXWWCVMFAFIQ-SKPFHBQLSA-N" ; chebi:mass "483.066" ; chebi:monoisotopicmass "482.20061" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@@H](C)CN(CC2=CC=CC=C2Cl)[C@@H](C)CO)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100961" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_100962 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-34-23-5-3-2-4-21(23)29-26(33)30-15-19(31)16-35-17-24-22(30)7-6-20(36-24)14-25(32)28-13-10-18-8-11-27-12-9-18/h2-5,8-9,11-12,19-20,22,24,31H,6-7,10,13-17H2,1H3,(H,28,32)(H,29,33)/t19-,20-,22-,24+/m0/s1" ; chebi:inchikey "YKBSBMDVZJDWJN-CGCKEFBRSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCCC4=CC=NC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100962" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100963 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c1-17(18-5-3-2-4-6-18)31-28(34)14-21-13-23-22-12-20(8-10-24(22)39-29(23)27(15-33)38-21)32-30(35)19-7-9-25-26(11-19)37-16-36-25/h2-12,17,21,23,27,29,33H,13-16H2,1H3,(H,31,34)(H,32,35)/t17-,21+,23+,27+,29-/m1/s1" ; chebi:inchikey "PKVMSJKEIKOOIO-FQTZSRFZSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100963" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100964 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H45N3O4" ; chebi:inchi "InChI=1S/C29H45N3O4/c1-20-16-32(17-22-9-6-5-7-10-22)21(2)19-36-26-15-24(30-28(33)23-11-8-12-23)13-14-25(26)29(34)31(3)18-27(20)35-4/h13-15,20-23,27H,5-12,16-19H2,1-4H3,(H,30,33)/t20-,21+,27+/m0/s1" ; chebi:inchikey "ZYUAJIZJWFLNII-FYQCMVGJSA-N" ; chebi:mass "499.686" ; chebi:monoisotopicmass "499.34101" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)CC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100964" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_100965 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C35H36N4O4S" ; chebi:inchi "InChI=1S/C35H36N4O4S/c1-35(2,3)44(42)39-22-28-19-30(34(41)37-21-24-10-14-29(43-4)15-11-24)38-33(32(28)31(39)16-17-40)27-7-5-6-26(18-27)25-12-8-23(20-36)9-13-25/h5-15,18-19,31,40H,16-17,21-22H2,1-4H3,(H,37,41)/t31-,44-/m1/s1" ; chebi:inchikey "JYXARMWTMOZTGK-VRESAINUSA-N" ; chebi:mass "608.752" ; chebi:monoisotopicmass "608.24573" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCC5=CC=C(C=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100965" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100966 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C33H32F3N3O5" ; chebi:inchi "InChI=1S/C33H32F3N3O5/c1-39-27-12-11-25(17-30(40)37-24-14-20-4-2-3-5-21(20)15-24)44-29(27)18-43-28-13-10-23(16-26(28)32(39)42)38-31(41)19-6-8-22(9-7-19)33(34,35)36/h2-10,13,16,24-25,27,29H,11-12,14-15,17-18H2,1H3,(H,37,40)(H,38,41)/t25-,27-,29+/m1/s1" ; chebi:inchikey "CCWJWXJNOLFYBD-NLFWHDTNSA-N" ; chebi:mass "607.621" ; chebi:monoisotopicmass "607.22941" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F)CC(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100966" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide" . obo:CHEBI_100967 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O5" ; chebi:inchi "InChI=1S/C27H39N5O5/c1-16-12-32(13-20-7-8-20)17(2)15-36-23-11-21(28-27(34)29-25-18(3)30-37-19(25)4)9-10-22(23)26(33)31(5)14-24(16)35-6/h9-11,16-17,20,24H,7-8,12-15H2,1-6H3,(H2,28,29,34)/t16-,17-,24-/m1/s1" ; chebi:inchikey "BVCIWUWSCCLIPT-HOZJOUCCSA-N" ; chebi:mass "513.630" ; chebi:monoisotopicmass "513.29512" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100967" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea" . obo:CHEBI_100968 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H37N3O4" ; chebi:inchi "InChI=1S/C30H37N3O4/c1-19-15-33(20(2)17-34)30(36)28-27(24-11-7-8-12-25(24)32(28)4)23-10-6-5-9-22(23)18-37-26(19)16-31(3)29(35)21-13-14-21/h5-12,19-21,26,34H,13-18H2,1-4H3/t19-,20-,26+/m1/s1" ; chebi:inchikey "YAQCSVWFCUIVLJ-KYTVRQNUSA-N" ; chebi:mass "503.634" ; chebi:monoisotopicmass "503.27841" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4CC4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100968" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12341" . obo:CHEBI_100969 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C18H23N3O4" ; chebi:inchi "InChI=1S/C18H23N3O4/c22-11-16-15(21-18(24)13-5-7-19-8-6-13)4-3-14(25-16)9-17(23)20-10-12-1-2-12/h3-8,12,14-16,22H,1-2,9-11H2,(H,20,23)(H,21,24)/t14-,15+,16-/m1/s1" ; chebi:inchikey "UGRHUCUWEJLITN-OWCLPIDISA-N" ; chebi:mass "345.394" ; chebi:monoisotopicmass "345.16886" ; chebi:smiles "C1CC1CNC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100969" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_10097 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_16670 ; chebi:charge "0" ; chebi:formula "C28H39N5O8" ; chebi:inchi "InChI=1S/C28H39N5O8/c1-18(2)14-20(25(36)29-15-23(34)33-13-7-11-22(33)27(38)39)31-26(37)21-10-6-12-32(21)24(35)16-30-28(40)41-17-19-8-4-3-5-9-19/h3-5,8-9,18,20-22H,6-7,10-17H2,1-2H3,(H,29,36)(H,30,40)(H,31,37)(H,38,39)/t20-,21-,22-/m0/s1" ; chebi:inchikey "DGRDYZZPQWDRBB-FKBYEOEOSA-N" ; chebi:mass "573.639" ; chebi:monoisotopicmass "573.27986" ; chebi:smiles "CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10097" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Z-Gly-Pro-Leu-Gly-Pro" . obo:CHEBI_100970 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H42N4O4" ; chebi:inchi "InChI=1S/C31H42N4O4/c1-21-17-35(22(2)19-36)31(38)30-29(25-13-9-10-14-26(25)34(30)6)24-12-8-7-11-23(24)20-39-27(21)18-33(5)28(37)15-16-32(3)4/h7-14,21-22,27,36H,15-20H2,1-6H3/t21-,22-,27-/m0/s1" ; chebi:inchikey "UPHSEAQPRHOHRJ-BERHBOFZSA-N" ; chebi:mass "534.691" ; chebi:monoisotopicmass "534.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCN(C)C)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100970" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12343" . obo:CHEBI_100971 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H28N2O5" ; chebi:inchi "InChI=1S/C27H28N2O5/c1-33-23-11-7-6-10-18(23)19-12-13-21-25-24(27(32)34-2)20(16-30)22(15-29(21)26(19)31)28(25)14-17-8-4-3-5-9-17/h3-13,20,22,24-25,30H,14-16H2,1-2H3/t20-,22-,24+,25+/m1/s1" ; chebi:inchikey "VLQJEDUGSYPRCL-KAKDDGLXSA-N" ; chebi:mass "460.523" ; chebi:monoisotopicmass "460.19982" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4CC5=CC=CC=C5)CN3C2=O)CO)C(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100971" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12344" . obo:CHEBI_100972 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O5" ; chebi:inchi "InChI=1S/C19H32N2O5/c1-20(2)18(23)9-15-7-8-16-17(26-15)12-25-11-14(22)10-21(16)19(24)13-5-3-4-6-13/h13-17,22H,3-12H2,1-2H3/t14-,15+,16-,17+/m0/s1" ; chebi:inchikey "XUIBJKJBLJUMMA-VVLHAWIVSA-N" ; chebi:mass "368.469" ; chebi:monoisotopicmass "368.23112" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2C(=O)C3CCCC3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100972" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_100973 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H29N3O5" ; chebi:inchi "InChI=1S/C25H29N3O5/c29-14-22-24-20(11-18(32-22)12-23(30)27-13-17-6-1-2-9-26-17)19-10-16(7-8-21(19)33-24)28-25(31)15-4-3-5-15/h1-2,6-10,15,18,20,22,24,29H,3-5,11-14H2,(H,27,30)(H,28,31)/t18-,20-,22+,24+/m0/s1" ; chebi:inchikey "WYDHQCWIOCTAOJ-YCYVKTGYSA-N" ; chebi:mass "451.516" ; chebi:monoisotopicmass "451.21072" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100973" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_100974 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H38N4O6S" ; chebi:inchi "InChI=1S/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20-,27+/m1/s1" ; chebi:inchikey "HAVPCKYPPPKWEI-DVHCVUMVSA-N" ; chebi:mass "594.724" ; chebi:monoisotopicmass "594.25121" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100974" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12347" . obo:CHEBI_100975 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32ClFN2O4S" ; chebi:inchi "InChI=1S/C23H32ClFN2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)24)23(31-4)15-26(3)32(29,30)21-11-9-20(25)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18-,23+/m1/s1" ; chebi:inchikey "IVUAVXPBXQRVFC-PNCHPQGNSA-N" ; chebi:mass "487.029" ; chebi:monoisotopicmass "486.17553" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100975" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_100976 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H34N2O7S" ; chebi:inchi "InChI=1S/C25H34N2O7S/c1-17-6-9-21(10-7-17)35(30,31)27(19(3)15-28)13-18(2)24(32-5)14-26(4)25(29)20-8-11-22-23(12-20)34-16-33-22/h6-12,18-19,24,28H,13-16H2,1-5H3/t18-,19-,24+/m0/s1" ; chebi:inchikey "XFQUVXMASIHRAZ-AXHZCLLHSA-N" ; chebi:mass "506.614" ; chebi:monoisotopicmass "506.20867" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100976" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100977 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H28F2N2O5" ; chebi:inchi "InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17+,18-,19+/m1/s1" ; chebi:inchikey "LJZGTTWSAOWWCB-HCXYKTFWSA-N" ; chebi:mass "426.455" ; chebi:monoisotopicmass "426.19663" ; chebi:smiles "CCC(=O)N1C[C@H](COC[C@H]2[C@H]1CC[C@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100977" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_100978 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-10-6-8-19(24)12-21)22(32-4)14-25(3)33(28,29)20-9-5-7-18(23)11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17-,22-/m1/s1" ; chebi:inchikey "WFGAJOALFFTPKS-DRSNIGMVSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100978" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3R)-4-[(3-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_100979 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c1-28(2)24(32)15-6-3-5-14(11-15)17-9-10-20-22-21(23(31)26-16-7-4-8-16)18(13-30)19(27-22)12-29(20)25(17)33/h3,5-6,9-11,16,18-19,21-22,27,30H,4,7-8,12-13H2,1-2H3,(H,26,31)/t18-,19-,21+,22+/m1/s1" ; chebi:inchikey "NFKFSUDWHJDXEV-WKDRNLAYSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4)CN3C2=O)CO)C(=O)NC5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100979" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12352" . obo:CHEBI_10098 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C25H27N4O" ; chebi:inchi "InChI=1S/C25H27N4O/c26-28-19-23(16-20-10-4-1-5-11-20)29-25(30)24(17-21-12-6-2-7-13-21)27-18-22-14-8-3-9-15-22/h1-15,23-24,27H,16-19H2,(H,29,30)/t23-,24+/m1/s1" ; chebi:inchikey "CZJUSSHSHCOVLO-RPWUZVMVSA-N" ; chebi:mass "399.509" ; chebi:monoisotopicmass "399.21849" ; chebi:smiles "O=C(N[C@@H](C[N+]#[N-])Cc1ccccc1)[C@H](Cc1ccccc1)NCc1ccccc1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10098" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Z-Phe-Phe-CHN2" . obo:CHEBI_100980 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H24N2O3S" ; chebi:inchi "InChI=1S/C23H24N2O3S/c24-15-21-23(19-13-11-18(12-14-19)17-7-3-1-4-8-17)22(16-26)25(21)29(27,28)20-9-5-2-6-10-20/h2,5-7,9-14,21-23,26H,1,3-4,8,16H2/t21-,22-,23-/m1/s1" ; chebi:inchikey "POAXSVANNSAIAV-DNVJHFABSA-N" ; chebi:mass "408.515" ; chebi:monoisotopicmass "408.15076" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H](N([C@@H]3C#N)S(=O)(=O)C4=CC=CC=C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100980" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4S)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100981 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H38N4O3" ; chebi:inchi "InChI=1S/C32H38N4O3/c1-22-17-36(23(2)20-37)32(38)31-30(27-13-7-8-14-28(27)35(31)4)26-12-6-5-11-25(26)21-39-29(22)19-34(3)18-24-10-9-15-33-16-24/h5-16,22-23,29,37H,17-21H2,1-4H3/t22-,23-,29+/m0/s1" ; chebi:inchikey "RPGWXCDGQSLPTH-SBZVUBOMSA-N" ; chebi:mass "526.670" ; chebi:monoisotopicmass "526.29439" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CN=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100981" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12354" . obo:CHEBI_100982 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C9H15NO4" ; chebi:inchi "InChI=1S/C9H15NO4/c1-13-9(12)4-6-2-3-7(10)8(5-11)14-6/h2-3,6-8,11H,4-5,10H2,1H3/t6-,7+,8-/m0/s1" ; chebi:inchikey "PDEPTYJJYHVXNY-RNJXMRFFSA-N" ; chebi:mass "201.220" ; chebi:monoisotopicmass "201.10011" ; chebi:smiles "COC(=O)C[C@@H]1C=C[C@H]([C@@H](O1)CO)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100982" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6R)-3-amino-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester" . obo:CHEBI_100983 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O6S" ; chebi:inchi "InChI=1S/C23H28N2O6S/c1-32(28,29)25-16-7-8-20-18(11-16)19-12-17(30-21(14-26)23(19)31-20)13-22(27)24-10-9-15-5-3-2-4-6-15/h2-8,11,17,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,19-,21+,23+/m1/s1" ; chebi:inchikey "TVZJESBMTOHXDE-YZBYQZESSA-N" ; chebi:mass "460.545" ; chebi:monoisotopicmass "460.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100983" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_100984 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N5O6" ; chebi:inchi "InChI=1S/C25H33N5O6/c1-16-12-30(23(31)15-34-4)17(2)14-36-21-10-18(28-24(32)20-11-26-8-9-27-20)6-7-19(21)25(33)29(3)13-22(16)35-5/h6-11,16-17,22H,12-15H2,1-5H3,(H,28,32)/t16-,17-,22+/m1/s1" ; chebi:inchikey "CTEQLXWVFDYWAW-YVHKJVDXSA-N" ; chebi:mass "499.560" ; chebi:monoisotopicmass "499.24308" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100984" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_100985 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H36N2O5" ; chebi:inchi "InChI=1S/C21H36N2O5/c24-17-12-23(11-16-5-7-26-8-6-16)19-4-3-18(28-20(19)14-27-13-17)9-21(25)22-10-15-1-2-15/h15-20,24H,1-14H2,(H,22,25)/t17-,18+,19+,20-/m1/s1" ; chebi:inchikey "NCINSYYDRJCYKJ-FUMNGEBKSA-N" ; chebi:mass "396.522" ; chebi:monoisotopicmass "396.26242" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3CCOCC3)O)O[C@@H]1CC(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100985" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100986 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29-8-10-30(11-9-29)25(33)15-19-14-21-20-13-18(28-24(32)12-17-4-6-27-7-5-17)2-3-22(20)35-26(21)23(16-31)34-19/h2-7,13,19,21,23,26,31H,8-12,14-16H2,1H3,(H,28,32)/t19-,21-,23+,26+/m1/s1" ; chebi:inchikey "LVKYMQHIUYSGLY-BCHMZHATSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100986" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide" . obo:CHEBI_100987 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C16H25N3O7S" ; chebi:inchi "InChI=1S/C16H25N3O7S/c1-18-7-15(17-10-18)27(22,23)19-6-11(20)8-25-9-14-13(19)4-3-12(26-14)5-16(21)24-2/h7,10-14,20H,3-6,8-9H2,1-2H3/t11-,12-,13+,14-/m1/s1" ; chebi:inchikey "HDTRYUIMSWCRLO-YIYPIFLZSA-N" ; chebi:mass "403.452" ; chebi:monoisotopicmass "403.14132" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)OC)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100987" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_100988 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c1-18-15-30(20(3)31)19(2)17-35-24-12-11-22(28-26(32)13-21-9-7-6-8-10-21)14-23(24)27(33)29(4)16-25(18)34-5/h6-12,14,18-19,25H,13,15-17H2,1-5H3,(H,28,32)/t18-,19+,25-/m1/s1" ; chebi:inchikey "BBRWISDMGXAAHU-HHJKRLRDSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100988" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_100989 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H41N3O5" ; chebi:inchi "InChI=1S/C28H41N3O5/c1-18-15-31(26(32)13-20-9-10-20)19(2)17-36-24-14-22(29-27(33)21-7-5-6-8-21)11-12-23(24)28(34)30(3)16-25(18)35-4/h11-12,14,18-21,25H,5-10,13,15-17H2,1-4H3,(H,29,33)/t18-,19-,25+/m1/s1" ; chebi:inchikey "MFGGAADVNSTJDM-RRQZXNHTSA-N" ; chebi:mass "499.643" ; chebi:monoisotopicmass "499.30462" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100989" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_10099 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46761 . _:b96 rdf:type owl:Restriction . obo:CHEBI_10099 rdfs:subClassOf _:b96 . _:b96 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_59107 . obo:CHEBI_10099 obo:IAO_0000115 "The dipeptide obtained by coupling N-benzyloxycarbonyl-L-tyrosine with the hydroxamic acid derivative of L-leucine. It is an inhibitor of the metallo-protease enzyme, pseudolysin (EC 3.4.24.36)." ; chebi:charge "0" ; chebi:formula "C23H29N3O6" ; chebi:inchi "InChI=1S/C23H29N3O6/c1-15(2)12-19(22(29)26-31)24-21(28)20(13-16-8-10-18(27)11-9-16)25-23(30)32-14-17-6-4-3-5-7-17/h3-11,15,19-20,27,31H,12-14H2,1-2H3,(H,24,28)(H,25,30)(H,26,29)/t19-,20-/m0/s1" ; chebi:inchikey "YBHTVSIBHATTHP-PMACEKPBSA-N" ; chebi:mass "443.49290" ; chebi:monoisotopicmass "443.20564" ; chebi:smiles "CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)NO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10099" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N-[(benzyloxy)carbonyl]-L-tyrosyl-N-hydroxy-L-leucinamide" . obo:CHEBI_100990 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-17-14-26-18(2)16-32-22-11-10-20(27-24(29)12-19-8-6-5-7-9-19)13-21(22)25(30)28(3)15-23(17)31-4/h5-11,13,17-18,23,26H,12,14-16H2,1-4H3,(H,27,29)/t17-,18-,23+/m0/s1" ; chebi:inchikey "RIFMDYVXBSMSIP-IUKKYPGJSA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100990" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_100991 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33ClN2O6S2" ; chebi:inchi "InChI=1S/C23H33ClN2O6S2/c1-17-9-11-21(12-10-17)33(28,29)25(4)15-23(32-5)18(2)14-26(19(3)16-27)34(30,31)22-8-6-7-20(24)13-22/h6-13,18-19,23,27H,14-16H2,1-5H3/t18-,19+,23-/m1/s1" ; chebi:inchikey "FYUSSFRUYFLLAK-SELNLUPBSA-N" ; chebi:mass "533.104" ; chebi:monoisotopicmass "532.14686" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@H](C)CN([C@@H](C)CO)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100991" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide" . obo:CHEBI_100992 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H37N3O6" ; chebi:inchi "InChI=1S/C29H37N3O6/c1-18-13-32(14-20-5-6-20)19(2)16-36-24-10-8-22(12-23(24)29(34)31(3)15-27(18)35-4)30-28(33)21-7-9-25-26(11-21)38-17-37-25/h7-12,18-20,27H,5-6,13-17H2,1-4H3,(H,30,33)/t18-,19-,27-/m1/s1" ; chebi:inchikey "KBKSWHGSXCIXAL-DRGJWEBESA-N" ; chebi:mass "523.622" ; chebi:monoisotopicmass "523.26824" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C)CC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100992" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100993 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C12H25N3O3" ; chebi:inchi "InChI=1S/C12H25N3O3/c1-8(2)14-12(17)15-10-4-3-9(5-6-13)18-11(10)7-16/h8-11,16H,3-7,13H2,1-2H3,(H2,14,15,17)/t9-,10-,11-/m0/s1" ; chebi:inchikey "RKCCKXKETMZMSY-DCAQKATOSA-N" ; chebi:mass "259.346" ; chebi:monoisotopicmass "259.18959" ; chebi:smiles "CC(C)NC(=O)N[C@H]1CC[C@H](O[C@H]1CO)CCN" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100993" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea" . obo:CHEBI_100994 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H22N2O3" ; chebi:inchi "InChI=1S/C23H22N2O3/c1-28-13-5-8-17-9-11-19(12-10-17)23-20(15-24)25(21(23)16-26)22(27)14-18-6-3-2-4-7-18/h2-4,6-7,9-12,20-21,23,26H,13-14,16H2,1H3/t20-,21-,23+/m0/s1" ; chebi:inchikey "ZCPNEUJBLOUKDH-QNWVGRARSA-N" ; chebi:mass "374.433" ; chebi:monoisotopicmass "374.16304" ; chebi:smiles "COCC#CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)C(=O)CC3=CC=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100994" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-4-(hydroxymethyl)-3-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(1-oxo-2-phenylethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100995 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H37FN4O4" ; chebi:inchi "InChI=1S/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-11-7-8-12-28(27)37(31)4)26-10-6-5-9-23(26)20-42-29(21)18-36(3)33(41)35-25-15-13-24(34)14-16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22-,29+/m0/s1" ; chebi:inchikey "HIWUQZOVKTUVHW-IHMCZWCLSA-N" ; chebi:mass "572.671" ; chebi:monoisotopicmass "572.27988" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100995" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12368" . obo:CHEBI_100996 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H24F2N2O6S" ; chebi:inchi "InChI=1S/C22H24F2N2O6S/c1-33(29,30)26-14-3-5-19-16(7-14)17-8-15(31-20(11-27)22(17)32-19)9-21(28)25-10-12-6-13(23)2-4-18(12)24/h2-7,15,17,20,22,26-27H,8-11H2,1H3,(H,25,28)/t15-,17+,20-,22-/m0/s1" ; chebi:inchikey "IELDZLYSVNRCSJ-XFSCSUFISA-N" ; chebi:mass "482.499" ; chebi:monoisotopicmass "482.13231" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100996" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_100997 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H37FN4O6S" ; chebi:inchi "InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25-,27+/m1/s1" ; chebi:inchikey "TUUZOQPHVDGSNW-JBBQQGGESA-N" ; chebi:mass "588.693" ; chebi:monoisotopicmass "588.24178" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100997" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100998 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H28FN5O3" ; chebi:inchi "InChI=1S/C20H28FN5O3/c1-2-9-22-20(28)23-17-7-6-16(29-19(17)13-27)8-10-26-12-18(24-25-26)14-4-3-5-15(21)11-14/h3-5,11-12,16-17,19,27H,2,6-10,13H2,1H3,(H2,22,23,28)/t16-,17+,19-/m0/s1" ; chebi:inchikey "BSYBIQMXMHXRRQ-SCTDSRPQSA-N" ; chebi:mass "405.467" ; chebi:monoisotopicmass "405.21762" ; chebi:smiles "CCCNC(=O)N[C@@H]1CC[C@H](O[C@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100998" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea" . obo:CHEBI_100999 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c1-17(18-5-3-2-4-6-18)31-28(34)14-21-13-23-22-12-20(8-10-24(22)39-29(23)27(15-33)38-21)32-30(35)19-7-9-25-26(11-19)37-16-36-25/h2-12,17,21,23,27,29,33H,13-16H2,1H3,(H,31,34)(H,32,35)/t17-,21-,23-,27+,29+/m1/s1" ; chebi:inchikey "PKVMSJKEIKOOIO-OQSCFJKJSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100999" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15409 ; owl:deprecated true . obo:CHEBI_1010 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33558 . _:b97 rdf:type owl:Restriction . obo:CHEBI_1010 rdfs:subClassOf _:b97 . _:b97 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17120 . _:b98 rdf:type owl:Restriction . obo:CHEBI_1010 rdfs:subClassOf _:b98 . _:b98 owl:onProperty chebi2:is_conjugate_base_of ; owl:someValuesFrom obo:CHEBI_19450 . obo:CHEBI_1010 obo:IAO_0000115 "An alpha-amino-acid anion that is the conjugate base of 2-amino-5-oxohexanoic acid." ; chebi:charge "-1" ; chebi:formula "C6H10NO3" ; chebi:inchi "InChI=1S/C6H11NO3/c1-4(8)2-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/p-1" ; chebi:inchikey "KSIJECNNZVKMJG-UHFFFAOYSA-M" ; chebi:mass "144.14854" ; chebi:monoisotopicmass "144.06662" ; chebi:smiles "CC(=O)CCC(N)C([O-])=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:1010" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "2-amino-5-oxohexanoate" . obo:CHEBI_10100 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23003 ; rdfs:subClassOf obo:CHEBI_24828 ; rdfs:subClassOf obo:CHEBI_90852 . _:b99 rdf:type owl:Restriction . obo:CHEBI_10100 rdfs:subClassOf _:b99 . _:b99 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_49159 . _:b100 rdf:type owl:Restriction . obo:CHEBI_10100 rdfs:subClassOf _:b100 . _:b100 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_65023 . obo:CHEBI_10100 chebi:charge "0" ; chebi:formula "C31H33N3O6S" ; chebi:inchi "InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)" ; chebi:inchikey "YEEZWCHGZNKEEK-UHFFFAOYSA-N" ; chebi:mass "575.677" ; chebi:monoisotopicmass "575.20901" ; chebi:smiles "C1=CC=2N(C=C(C2C=C1NC(OC3CCCC3)=O)CC4=CC=C(C(NS(C5=CC=CC=C5C)(=O)=O)=O)C=C4OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10100" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zafirlukast" . obo:CHEBI_101000 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H30FN3O4" ; chebi:inchi "InChI=1S/C21H30FN3O4/c22-16-5-3-4-15(12-16)21(28)24-18-7-6-17(29-19(18)14-26)13-20(27)23-8-11-25-9-1-2-10-25/h3-5,12,17-19,26H,1-2,6-11,13-14H2,(H,23,27)(H,24,28)/t17-,18+,19+/m0/s1" ; chebi:inchikey "DCVAKYLGJMAIQD-IPMKNSEASA-N" ; chebi:mass "407.480" ; chebi:monoisotopicmass "407.22203" ; chebi:smiles "C1CCN(C1)CCNC(=O)C[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101000" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-pyrrolidinyl)ethylamino]ethyl]-3-oxanyl]benzamide" . obo:CHEBI_101001 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H23N3O4S" ; chebi:inchi "InChI=1S/C21H23N3O4S/c1-23(2)21(26)17-10-6-15(7-11-17)14-4-8-16(9-5-14)20-18(12-22)24(19(20)13-25)29(3,27)28/h4-11,18-20,25H,13H2,1-3H3/t18-,19-,20-/m0/s1" ; chebi:inchikey "DINYZOMRIFESDL-UFYCRDLUSA-N" ; chebi:mass "413.492" ; chebi:monoisotopicmass "413.14093" ; chebi:smiles "CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@H]3C#N)S(=O)(=O)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101001" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[4-[(2R,3S,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_101002 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H29FN2O7S" ; chebi:inchi "InChI=1S/C20H29FN2O7S/c1-28-9-8-22-20(25)10-15-6-7-17-18(30-15)13-29-12-14(24)11-23(17)31(26,27)19-5-3-2-4-16(19)21/h2-5,14-15,17-18,24H,6-13H2,1H3,(H,22,25)/t14-,15-,17-,18+/m0/s1" ; chebi:inchikey "ZIIKQONHXRNGRF-UOVPBQLFSA-N" ; chebi:mass "460.519" ; chebi:monoisotopicmass "460.16795" ; chebi:smiles "COCCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2S(=O)(=O)C3=CC=CC=C3F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101002" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101003 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46920 ; chebi:charge "0" ; chebi:formula "C22H39N3O5" ; chebi:inchi "InChI=1S/C22H39N3O5/c1-23-6-8-24(9-7-23)22(27)12-19-2-3-20-21(30-19)16-29-15-18(26)14-25(20)13-17-4-10-28-11-5-17/h17-21,26H,2-16H2,1H3/t18-,19+,20+,21-/m0/s1" ; chebi:inchikey "MTMISLSQWFYTRE-BQJUDKOJSA-N" ; chebi:mass "425.563" ; chebi:monoisotopicmass "425.28897" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4CCOCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101003" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_101004 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-15-12-25(3)16(2)14-30-20-10-9-18(24-22(27)17-7-6-8-17)11-19(20)23(28)26(4)13-21(15)29-5/h9-11,15-17,21H,6-8,12-14H2,1-5H3,(H,24,27)/t15-,16+,21-/m1/s1" ; chebi:inchikey "IMTXHMNNEPVREU-VWKPWSFCSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101004" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_101005 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H19N3O3" ; chebi:inchi "InChI=1S/C19H19N3O3/c1-25-17-10-6-5-9-14(17)21-19(24)22-15(11-20)18(16(22)12-23)13-7-3-2-4-8-13/h2-10,15-16,18,23H,12H2,1H3,(H,21,24)/t15-,16+,18-/m1/s1" ; chebi:inchikey "MOIIHOSYSQGYMW-SOLBZPMBSA-N" ; chebi:mass "337.373" ; chebi:monoisotopicmass "337.14264" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101005" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide" . obo:CHEBI_101006 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30F3N3O5" ; chebi:inchi "InChI=1S/C31H30F3N3O5/c32-31(33,34)20-5-7-21(8-6-20)35-30(40)36-22-9-10-26-24(13-22)25-14-23(41-27(17-38)29(25)42-26)15-28(39)37-12-11-18-3-1-2-4-19(18)16-37/h1-10,13,23,25,27,29,38H,11-12,14-17H2,(H2,35,36,40)/t23-,25+,27-,29-/m1/s1" ; chebi:inchikey "HHNPVBFCYHNCMG-SYBYNBCQSA-N" ; chebi:mass "581.583" ; chebi:monoisotopicmass "581.21376" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@@H]4[C@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)NC6=CC=C(C=C6)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101006" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101007 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-19(24)12-21)22(32-4)14-25(3)33(28,29)20-10-8-18(23)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22-/m0/s1" ; chebi:inchikey "JTCZGLOUSBJUER-JKSBSHDWSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101007" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101008 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H28FN5O3" ; chebi:inchi "InChI=1S/C20H28FN5O3/c1-2-9-22-20(28)23-17-7-6-16(29-19(17)13-27)8-10-26-12-18(24-25-26)14-4-3-5-15(21)11-14/h3-5,11-12,16-17,19,27H,2,6-10,13H2,1H3,(H2,22,23,28)/t16-,17-,19+/m0/s1" ; chebi:inchikey "BSYBIQMXMHXRRQ-JENIJYKNSA-N" ; chebi:mass "405.467" ; chebi:monoisotopicmass "405.21762" ; chebi:smiles "CCCNC(=O)N[C@H]1CC[C@H](O[C@@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101008" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea" . obo:CHEBI_101009 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-34-27-11-10-24(17-30(36)35-14-13-20-5-2-3-6-21(20)18-35)41-29(27)19-40-28-12-9-23(16-26(28)31(34)37)33-42(38,39)25-8-4-7-22(32)15-25/h2-9,12,15-16,24,27,29,33H,10-11,13-14,17-19H2,1H3/t24-,27+,29-/m0/s1" ; chebi:inchikey "ZIFILFAABSOBLR-HWUUJZMBSA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101009" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide" . obo:CHEBI_10101 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48441 . _:b101 rdf:type owl:Restriction . obo:CHEBI_10101 rdfs:subClassOf _:b101 . _:b101 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35221 . _:b102 rdf:type owl:Restriction . obo:CHEBI_10101 rdfs:subClassOf _:b102 . _:b102 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36044 . _:b103 rdf:type owl:Restriction . obo:CHEBI_10101 rdfs:subClassOf _:b103 . _:b103 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_53756 . obo:CHEBI_10101 obo:IAO_0000115 "A pyrimidine 2',3'-dideoxyribonucleoside compound having cytosine as the nucleobase." ; chebi:charge "0" ; chebi:formula "C9H13N3O3" ; chebi:inchi "InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1" ; chebi:inchikey "WREGKURFCTUGRC-POYBYMJQSA-N" ; chebi:mass "211.21780" ; chebi:monoisotopicmass "211.09569" ; chebi:smiles "Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10101" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zalcitabine" . obo:CHEBI_101010 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O6S" ; chebi:inchi "InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18+,20+,22-/m1/s1" ; chebi:inchikey "LWPDCVYPXSZOFH-DCZASFAJSA-N" ; chebi:mass "480.964" ; chebi:monoisotopicmass "480.11219" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101010" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_101011 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H38N4O6" ; chebi:inchi "InChI=1S/C34H38N4O6/c1-21-16-38(22(2)18-39)33(40)32-31(26-11-7-8-12-27(26)37(32)4)25-10-6-5-9-23(25)19-42-30(21)17-36(3)34(41)35-24-13-14-28-29(15-24)44-20-43-28/h5-15,21-22,30,39H,16-20H2,1-4H3,(H,35,41)/t21-,22+,30-/m1/s1" ; chebi:inchikey "KFLLAZWDLYDTFJ-VDZJOXJSSA-N" ; chebi:mass "598.690" ; chebi:monoisotopicmass "598.27913" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101011" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12384" . obo:CHEBI_101012 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C25H37N5O4" ; chebi:inchi "InChI=1S/C25H37N5O4/c1-33-20-7-5-19(6-8-20)23-17-30(28-27-23)16-11-21-9-10-22(24(18-31)34-21)26-25(32)12-15-29-13-3-2-4-14-29/h5-8,17,21-22,24,31H,2-4,9-16,18H2,1H3,(H,26,32)/t21-,22+,24-/m0/s1" ; chebi:inchikey "CTEVGNUGMCZMIF-ZDXQCDESSA-N" ; chebi:mass "471.593" ; chebi:monoisotopicmass "471.28455" ; chebi:smiles "COC1=CC=C(C=C1)C2=CN(N=N2)CC[C@@H]3CC[C@H]([C@@H](O3)CO)NC(=O)CCN4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101012" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_101013 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C27H29N3O4" ; chebi:inchi "InChI=1S/C27H29N3O4/c31-18-25-24(30-26(32)15-19-5-4-14-28-17-19)13-12-23(34-25)16-27(33)29-22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-11,14,17,23-25,31H,12-13,15-16,18H2,(H,29,33)(H,30,32)/t23-,24+,25+/m0/s1" ; chebi:inchikey "JZSLTRUJUOZFGD-ISJGIBHGSA-N" ; chebi:mass "459.538" ; chebi:monoisotopicmass "459.21581" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)CO)NC(=O)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101013" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101014 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34N4O5" ; chebi:inchi "InChI=1S/C26H34N4O5/c1-17-14-30(25(32)13-20-8-6-7-11-27-20)18(2)16-35-23-12-21(28-19(3)31)9-10-22(23)26(33)29(4)15-24(17)34-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,28,31)/t17-,18-,24+/m0/s1" ; chebi:inchikey "CZFNYPFIGBHAGJ-LLJLJFOGSA-N" ; chebi:mass "482.573" ; chebi:monoisotopicmass "482.25292" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101014" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101015 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H39N3O4S" ; chebi:inchi "InChI=1S/C32H39N3O4S/c1-32(2,3)40(38)35-21-24-20-26(31(37)34-16-8-5-9-17-34)33-30(29(24)27(35)15-18-36)23-12-10-11-22(19-23)25-13-6-7-14-28(25)39-4/h6-7,10-14,19-20,27,36H,5,8-9,15-18,21H2,1-4H3/t27-,40-/m1/s1" ; chebi:inchikey "FUQOGNZPPRJWQM-KSTXALNGSA-N" ; chebi:mass "561.737" ; chebi:monoisotopicmass "561.26613" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4OC)C(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101015" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone" . obo:CHEBI_101016 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H34FN3O5S" ; chebi:inchi "InChI=1S/C24H34FN3O5S/c1-17-10-12-20(13-11-17)34(31,32)27(4)15-23(33-5)18(2)14-28(19(3)16-29)24(30)26-22-9-7-6-8-21(22)25/h6-13,18-19,23,29H,14-16H2,1-5H3,(H,26,30)/t18-,19+,23+/m1/s1" ; chebi:inchikey "IMMALVOVYMCCKV-MSYCTHLASA-N" ; chebi:mass "495.609" ; chebi:monoisotopicmass "495.22032" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@H](C)CN([C@@H](C)CO)C(=O)NC2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101016" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea" . obo:CHEBI_101017 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25N3O5" ; chebi:inchi "InChI=1S/C18H25N3O5/c22-12-16-14(20-18(24)15-3-1-2-6-19-15)5-4-13(26-16)11-17(23)21-7-9-25-10-8-21/h1-3,6,13-14,16,22H,4-5,7-12H2,(H,20,24)/t13-,14-,16+/m0/s1" ; chebi:inchikey "QWCXAENNPFGWBU-OFQRWUPVSA-N" ; chebi:mass "363.409" ; chebi:monoisotopicmass "363.17942" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101017" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_101018 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H39N3O5" ; chebi:inchi "InChI=1S/C25H39N3O5/c1-31-21-6-4-19(5-7-21)15-28-16-20(29)17-32-18-24-23(28)9-8-22(33-24)14-25(30)26-10-13-27-11-2-3-12-27/h4-7,20,22-24,29H,2-3,8-18H2,1H3,(H,26,30)/t20-,22-,23+,24-/m0/s1" ; chebi:inchikey "JSQZMBUYZHIIMM-XGAJZPNHSA-N" ; chebi:mass "461.595" ; chebi:monoisotopicmass "461.28897" ; chebi:smiles "COC1=CC=C(C=C1)CN2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCCN4CCCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101018" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide" . obo:CHEBI_101019 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_29348 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O4" ; chebi:inchi "InChI=1S/C27H33F3N2O4/c1-18-14-32(19(2)16-33)26(35)23-11-7-6-10-22(23)21-9-5-4-8-20(21)17-36-24(18)15-31(3)25(34)12-13-27(28,29)30/h4-11,18-19,24,33H,12-17H2,1-3H3/t18-,19+,24+/m1/s1" ; chebi:inchikey "VGVIGMMHZQAXDN-IMWIBFENSA-N" ; chebi:mass "506.558" ; chebi:monoisotopicmass "506.23924" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101019" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12392" . obo:CHEBI_10102 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_38669 . _:b104 rdf:type owl:Restriction . obo:CHEBI_10102 rdfs:subClassOf _:b104 . _:b104 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35474 . _:b105 rdf:type owl:Restriction . obo:CHEBI_10102 rdfs:subClassOf _:b105 . _:b105 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35488 . _:b106 rdf:type owl:Restriction . obo:CHEBI_10102 rdfs:subClassOf _:b106 . _:b106 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35623 . _:b107 rdf:type owl:Restriction . obo:CHEBI_10102 rdfs:subClassOf _:b107 . _:b107 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35717 . obo:CHEBI_10102 obo:IAO_0000115 "A pyrazolo[1,5-a]pyrimidine having a nitrile group at position 3 and a 3-(N-ethylacetamido)phenyl substituent at the 7-position." ; chebi:charge "0" ; chebi:formula "C17H15N5O" ; chebi:inchi "InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3" ; chebi:inchikey "HUNXMJYCHXQEGX-UHFFFAOYSA-N" ; chebi:mass "305.33390" ; chebi:monoisotopicmass "305.12766" ; chebi:smiles "CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10102" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zaleplon" . obo:CHEBI_101020 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H37N5O3S" ; chebi:inchi "InChI=1S/C32H37N5O3S/c1-32(2,3)41(40)37-21-26-19-27(31(39)36-15-13-35(4)14-16-36)34-30(29(26)28(37)12-17-38)25-7-5-6-24(18-25)23-10-8-22(20-33)9-11-23/h5-11,18-19,28,38H,12-17,21H2,1-4H3/t28-,41-/m0/s1" ; chebi:inchikey "QBIQCDDCSMFVTJ-VELXTTODSA-N" ; chebi:mass "571.735" ; chebi:monoisotopicmass "571.26171" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101020" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile" . obo:CHEBI_101021 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C26H32F3N3O4" ; chebi:inchi "InChI=1S/C26H32F3N3O4/c27-26(28,29)20-3-1-2-19(12-20)14-32-15-21(33)16-35-17-24-23(32)5-4-22(36-24)13-25(34)31-11-8-18-6-9-30-10-7-18/h1-3,6-7,9-10,12,21-24,33H,4-5,8,11,13-17H2,(H,31,34)/t21-,22-,23+,24-/m0/s1" ; chebi:inchikey "QCHQNBIYSRQADD-XQUALCHDSA-N" ; chebi:mass "507.546" ; chebi:monoisotopicmass "507.23449" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@@H]1CC(=O)NCCC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101021" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101022 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H32FN3O4" ; chebi:inchi "InChI=1S/C28H32FN3O4/c1-2-24(34)32-25-21(15-31-23(25)13-12-20(28(31)36)18-6-4-3-5-7-18)22(16-33)26(32)27(35)30-14-17-8-10-19(29)11-9-17/h6,8-13,21-22,25-26,33H,2-5,7,14-16H2,1H3,(H,30,35)/t21-,22-,25+,26-/m1/s1" ; chebi:inchikey "YUSKIZLEIJYDDG-ULDOEVFSSA-N" ; chebi:mass "493.571" ; chebi:monoisotopicmass "493.23768" ; chebi:smiles "CCC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CCCCC4)[C@H]([C@@H]1C(=O)NCC5=CC=C(C=C5)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101022" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101023 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-15-12-25(3)16(2)14-30-20-10-9-18(24-22(27)17-7-6-8-17)11-19(20)23(28)26(4)13-21(15)29-5/h9-11,15-17,21H,6-8,12-14H2,1-5H3,(H,24,27)/t15-,16-,21+/m0/s1" ; chebi:inchikey "IMTXHMNNEPVREU-CKJXQJPGSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101023" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_101024 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O4" ; chebi:inchi "InChI=1S/C32H46N4O4/c1-23-20-36(18-17-25-11-7-5-8-12-25)24(2)22-40-29-16-15-27(34-32(38)33-26-13-9-6-10-14-26)19-28(29)31(37)35(3)21-30(23)39-4/h5,7-8,11-12,15-16,19,23-24,26,30H,6,9-10,13-14,17-18,20-22H2,1-4H3,(H2,33,34,38)/t23-,24+,30-/m1/s1" ; chebi:inchikey "ONZMGLOOFFOJCP-FSGGQHMVSA-N" ; chebi:mass "550.733" ; chebi:monoisotopicmass "550.35191" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3CCCCC3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101024" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101025 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O6" ; chebi:inchi "InChI=1S/C21H28N2O6/c1-27-19(25)10-14-9-16-15-8-13(23-21(26)22-12-4-2-3-5-12)6-7-17(15)29-20(16)18(11-24)28-14/h6-8,12,14,16,18,20,24H,2-5,9-11H2,1H3,(H2,22,23,26)/t14-,16-,18+,20+/m1/s1" ; chebi:inchikey "KXSIODNMTPRENB-BIJSTVTOSA-N" ; chebi:mass "404.458" ; chebi:monoisotopicmass "404.19474" ; chebi:smiles "COC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4CCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101025" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101026 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C21H29F3N2O4" ; chebi:inchi "InChI=1S/C21H29F3N2O4/c1-25(2)20(28)9-17-7-8-18-19(30-17)13-29-12-16(27)11-26(18)10-14-3-5-15(6-4-14)21(22,23)24/h3-6,16-19,27H,7-13H2,1-2H3/t16-,17+,18-,19+/m1/s1" ; chebi:inchikey "OUTWOBHUWTVFCP-HCXYKTFWSA-N" ; chebi:mass "430.462" ; chebi:monoisotopicmass "430.20794" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2CC3=CC=C(C=C3)C(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101026" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_101027 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H32FN3O4" ; chebi:inchi "InChI=1S/C28H32FN3O4/c29-21-10-3-2-9-18(21)19-11-12-22-25-24(28(36)30-13-4-1-5-14-30)20(16-33)23(15-31(22)27(19)35)32(25)26(34)17-7-6-8-17/h2-3,9-12,17,20,23-25,33H,1,4-8,13-16H2/t20-,23-,24+,25+/m1/s1" ; chebi:inchikey "FMCRALLOZMCEMF-GATIMQMVSA-N" ; chebi:mass "493.571" ; chebi:monoisotopicmass "493.23768" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@@H]2N3C(=O)C6CCC6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101027" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12400" . obo:CHEBI_101028 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17+,19+,20-/m0/s1" ; chebi:inchikey "WNHZFTQVONQUSH-ZSXHRAQDSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101028" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12401" . obo:CHEBI_101029 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-26(2)17-8-9-21-19(12-17)20-13-18(29-22(15-27)24(20)30-21)14-23(28)25-11-10-16-6-4-3-5-7-16/h3-9,12,18,20,22,24,27H,10-11,13-15H2,1-2H3,(H,25,28)/t18-,20-,22-,24+/m0/s1" ; chebi:inchikey "VTJOJCWIVRUFJE-UYLMIGBBSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101029" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_10103 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26979 ; rdfs:subClassOf obo:CHEBI_35681 ; rdfs:subClassOf obo:CHEBI_36744 ; rdfs:subClassOf obo:CHEBI_37581 ; rdfs:subClassOf obo:CHEBI_37667 . _:b108 rdf:type owl:Restriction . obo:CHEBI_10103 rdfs:subClassOf _:b108 . _:b108 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . _:b109 rdf:type owl:Restriction . obo:CHEBI_10103 rdfs:subClassOf _:b109 . _:b109 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_61908 . obo:CHEBI_10103 obo:IAO_0000115 "A sesquiterpene lactone that is decahydroazuleno[4,5-b]furan-2(3H)-one substituted by methylidene groups at positions 3, 6 and 9 and a hydroxy group at position 8." ; chebi:charge "0" ; chebi:formula "C15H18O3" ; chebi:inchi "InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1" ; chebi:inchikey "XFVLNEYIZGZDHP-PEDHHIEDSA-N" ; chebi:mass "246.30160" ; chebi:monoisotopicmass "246.12559" ; chebi:smiles "[H][C@@]12C[C@H](O)C(=C)[C@]1([H])[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10103" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zaluzanin C" . obo:CHEBI_101030 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O5" ; chebi:inchi "InChI=1S/C30H38ClN5O5/c1-35-25-11-10-23(18-28(37)32-13-16-36-14-3-2-4-15-36)41-27(25)19-40-26-12-9-22(17-24(26)29(35)38)34-30(39)33-21-7-5-20(31)6-8-21/h5-9,12,17,23,25,27H,2-4,10-11,13-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t23-,25-,27+/m0/s1" ; chebi:inchikey "XIGYLWQKLZSYNZ-SCTDOJESSA-N" ; chebi:mass "584.107" ; chebi:monoisotopicmass "583.25615" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101030" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101031 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O5" ; chebi:inchi "InChI=1S/C23H35N3O5/c1-15-12-24-16(2)14-31-20-11-18(25-22(27)17-7-9-30-10-8-17)5-6-19(20)23(28)26(3)13-21(15)29-4/h5-6,11,15-17,21,24H,7-10,12-14H2,1-4H3,(H,25,27)/t15-,16+,21-/m1/s1" ; chebi:inchikey "BIFUFKYMXIZDEA-VWKPWSFCSA-N" ; chebi:mass "433.542" ; chebi:monoisotopicmass "433.25767" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101031" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_101032 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C20H22FN3O3" ; chebi:inchi "InChI=1S/C20H22FN3O3/c1-23(2)20(27)18-15(10-25)14-9-24-16(17(14)22-18)8-7-13(19(24)26)11-3-5-12(21)6-4-11/h3-8,14-15,17-18,22,25H,9-10H2,1-2H3/t14-,15-,17+,18-/m0/s1" ; chebi:inchikey "HRNJAQRGDGXKJI-ONIAQPFYSA-N" ; chebi:mass "371.406" ; chebi:monoisotopicmass "371.16452" ; chebi:smiles "CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]2N1)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101032" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(4-fluorophenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101033 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H32N2O5S2" ; chebi:inchi "InChI=1S/C27H32N2O5S2/c1-19-14-29(20(2)16-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-21(23)17-34-26(19)15-28(3)36(32,33)22-12-13-35-18-22/h4-13,18-20,26,30H,14-17H2,1-3H3/t19-,20+,26-/m0/s1" ; chebi:inchikey "ROXJHZXKWGUYER-UNVFRBQDSA-N" ; chebi:mass "528.687" ; chebi:monoisotopicmass "528.17526" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CSC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101033" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12406" . obo:CHEBI_101034 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C25H37N3O6" ; chebi:inchi "InChI=1S/C25H37N3O6/c29-20-16-28(25(31)19-5-2-1-3-6-19)22-8-7-21(34-23(22)18-33-17-20)15-24(30)26-9-4-10-27-11-13-32-14-12-27/h1-3,5-6,20-23,29H,4,7-18H2,(H,26,30)/t20-,21-,22-,23+/m0/s1" ; chebi:inchikey "AMMWEOQELITDAS-CWBXHPNXSA-N" ; chebi:mass "475.579" ; chebi:monoisotopicmass "475.26824" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC=CC=C3)O)O[C@@H]1CC(=O)NCCCN4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101034" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-benzoyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101035 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O5S" ; chebi:inchi "InChI=1S/C33H39N3O5S/c1-23-18-36(24(2)20-37)33(38)32-31(28-16-10-11-17-29(28)35(32)4)27-15-9-8-14-26(27)21-41-30(23)19-34(3)42(39,40)22-25-12-6-5-7-13-25/h5-17,23-24,30,37H,18-22H2,1-4H3/t23-,24+,30-/m1/s1" ; chebi:inchikey "LJWHPXFZVGGEPZ-FSGGQHMVSA-N" ; chebi:mass "589.747" ; chebi:monoisotopicmass "589.26104" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101035" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12408" . obo:CHEBI_101036 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-3-40(36,37)31-21-9-12-26-24(15-21)29(35)32(2)25-11-10-23(39-27(25)19-38-26)16-28(34)30-22-13-14-33(18-22)17-20-7-5-4-6-8-20/h4-9,12,15,22-23,25,27,31H,3,10-11,13-14,16-19H2,1-2H3,(H,30,34)/t22-,23-,25-,27+/m1/s1" ; chebi:inchikey "IJWLFSVDDGQQHF-LADVCJOISA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101036" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_101037 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-16-12-30(13-19-6-7-19)17(2)15-34-23-9-8-20(27-25(31)22-10-18(3)35-28-22)11-21(23)26(32)29(4)14-24(16)33-5/h8-11,16-17,19,24H,6-7,12-15H2,1-5H3,(H,27,31)/t16-,17-,24+/m0/s1" ; chebi:inchikey "VFFXTZRIOLHXNX-WOGXIUBCSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101037" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_101038 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H31FN2O7S" ; chebi:inchi "InChI=1S/C24H31FN2O7S/c1-16(12-27(17(2)14-28)35(30,31)20-8-6-19(25)7-9-20)23(32-4)13-26(3)24(29)18-5-10-21-22(11-18)34-15-33-21/h5-11,16-17,23,28H,12-15H2,1-4H3/t16-,17+,23-/m1/s1" ; chebi:inchikey "QPCRGZWITIZHEP-SAHWJRBASA-N" ; chebi:mass "510.578" ; chebi:monoisotopicmass "510.18360" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101038" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101039 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32ClFN2O4S" ; chebi:inchi "InChI=1S/C23H32ClFN2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)24)23(31-4)15-26(3)32(29,30)21-11-9-20(25)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18+,23+/m0/s1" ; chebi:inchikey "IVUAVXPBXQRVFC-YZZKKUAISA-N" ; chebi:mass "487.029" ; chebi:monoisotopicmass "486.17553" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101039" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_10104 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_50663 ; owl:deprecated true . obo:CHEBI_101040 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C14H18N2O5" ; chebi:inchi "InChI=1S/C14H18N2O5/c17-8-12-11(2-1-10(21-12)7-13(18)19)16-14(20)9-3-5-15-6-4-9/h3-6,10-12,17H,1-2,7-8H2,(H,16,20)(H,18,19)/t10-,11+,12-/m1/s1" ; chebi:inchikey "PLQUATFCVTZMJC-GRYCIOLGSA-N" ; chebi:mass "294.304" ; chebi:monoisotopicmass "294.12157" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)O)CO)NC(=O)C2=CC=NC=C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101040" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid" . obo:CHEBI_101041 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20-,21+,22-/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-RCUFNAHASA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101041" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12414" . obo:CHEBI_101042 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H27F2N3O4" ; chebi:inchi "InChI=1S/C24H27F2N3O4/c25-17-5-7-19(26)21(11-17)28-24(32)27-20-8-6-18(33-22(20)14-30)12-23(31)29-10-9-15-3-1-2-4-16(15)13-29/h1-5,7,11,18,20,22,30H,6,8-10,12-14H2,(H2,27,28,32)/t18-,20-,22+/m0/s1" ; chebi:inchikey "BOSRLBMZBBTOKS-RCZSKKKRSA-N" ; chebi:mass "459.487" ; chebi:monoisotopicmass "459.19696" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)N2CCC3=CC=CC=C3C2)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101042" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(2S,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]urea" . obo:CHEBI_101043 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27N3O6S" ; chebi:inchi "InChI=1S/C22H27N3O6S/c1-30-17-2-5-19(6-3-17)32(28,29)25-20-7-4-18(31-21(20)15-26)14-22(27)24-13-10-16-8-11-23-12-9-16/h2-9,11-12,18,20-21,25-26H,10,13-15H2,1H3,(H,24,27)/t18-,20-,21-/m1/s1" ; chebi:inchikey "SKMIIEGWSYGYOW-HMXCVIKNSA-N" ; chebi:mass "461.533" ; chebi:monoisotopicmass "461.16206" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101043" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101044 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H40N4O5" ; chebi:inchi "InChI=1S/C34H40N4O5/c1-22-18-38(23(2)20-39)33(40)32-31(28-15-8-9-16-29(28)37(32)4)27-14-7-6-11-24(27)21-43-30(22)19-36(3)34(41)35-25-12-10-13-26(17-25)42-5/h6-17,22-23,30,39H,18-21H2,1-5H3,(H,35,41)/t22-,23+,30+/m1/s1" ; chebi:inchikey "FNKQMQRSMOAQIH-HFZPWKHCSA-N" ; chebi:mass "584.706" ; chebi:monoisotopicmass "584.29987" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101044" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12417" . obo:CHEBI_101045 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21-,22-,23+,24-/m1/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-ZSXJVMONSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)N[C@@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101045" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-3-hydroxy-8-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101046 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S" ; chebi:inchi "InChI=1S/C27H36N2O6S/c1-34-22-7-10-24(11-8-22)36(32,33)28-25-12-9-23(35-26(25)19-30)18-27(31)29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-8,10-11,21,23,25-26,28,30H,9,12-19H2,1H3/t23-,25+,26-/m1/s1" ; chebi:inchikey "JXWMWOXWMMUZLT-DMTNHVFBSA-N" ; chebi:mass "516.652" ; chebi:monoisotopicmass "516.22941" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101046" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide" . obo:CHEBI_101047 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O6S" ; chebi:inchi "InChI=1S/C23H28N2O6S/c1-32(28,29)25-16-7-8-20-18(11-16)19-12-17(30-21(14-26)23(19)31-20)13-22(27)24-10-9-15-5-3-2-4-6-15/h2-8,11,17,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,19+,21-,23-/m1/s1" ; chebi:inchikey "TVZJESBMTOHXDE-GUBFDYSESA-N" ; chebi:mass "460.545" ; chebi:monoisotopicmass "460.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101047" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_101048 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C16H28N2O4" ; chebi:inchi "InChI=1S/C16H28N2O4/c1-18-8-12(19)9-21-10-15-14(18)6-5-13(22-15)7-16(20)17-11-3-2-4-11/h11-15,19H,2-10H2,1H3,(H,17,20)/t12-,13-,14-,15+/m1/s1" ; chebi:inchikey "JDRFUATZRDBDCA-TUVASFSCSA-N" ; chebi:mass "312.405" ; chebi:monoisotopicmass "312.20491" ; chebi:smiles "CN1C[C@H](COC[C@H]2[C@H]1CC[C@@H](O2)CC(=O)NC3CCC3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101048" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_101049 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H32N4O5S" ; chebi:inchi "InChI=1S/C22H32N4O5S/c1-16-6-8-19(9-7-16)32(29,30)26(18(3)15-27)13-17(2)21(31-5)14-25(4)22(28)20-12-23-10-11-24-20/h6-12,17-18,21,27H,13-15H2,1-5H3/t17-,18-,21-/m1/s1" ; chebi:inchikey "SBBAPVWHPDIFCH-DBXWQHBBSA-N" ; chebi:mass "464.580" ; chebi:monoisotopicmass "464.20934" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101049" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_10105 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39434 ; chebi:charge "0" ; chebi:formula "C26H30O8" ; chebi:inchi "InChI=1S/C26H30O8/c1-22(2)15-10-16(28)25(5)18(23(15,3)8-6-17(29)33-22)14(27)11-24(4)19(13-7-9-31-12-13)32-21(30)20-26(24,25)34-20/h6-9,12,14-15,18-20,27H,10-11H2,1-5H3/t14-,15-,18+,19-,20+,23-,24-,25+,26+/m0/s1" ; chebi:inchikey "OZGKITZRRFNYRV-CHALWBKJSA-N" ; chebi:mass "470.513" ; chebi:monoisotopicmass "470.19407" ; chebi:smiles "C[C@@]12C[C@H](O)[C@@H]3[C@@]4(C)C=CC(=O)OC(C)(C)[C@@H]4CC(=O)[C@@]3(C)[C@]11O[C@@H]1C(=O)O[C@H]2c1ccoc1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10105" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zapoterin" . obo:CHEBI_101050 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H25N3O3" ; chebi:inchi "InChI=1S/C22H25N3O3/c1-24(2)13-21(27)25-18(12-23)22(19(25)14-26)16-10-8-15(9-11-16)17-6-4-5-7-20(17)28-3/h4-11,18-19,22,26H,13-14H2,1-3H3/t18-,19-,22+/m1/s1" ; chebi:inchikey "IQHJIJSRQPJLPZ-KNKQGSTJSA-N" ; chebi:mass "379.453" ; chebi:monoisotopicmass "379.18959" ; chebi:smiles "CN(C)CC(=O)N1[C@@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101050" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_101051 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C28H34N2O5" ; chebi:inchi "InChI=1S/C28H34N2O5/c31-23-16-30(28(33)12-19-6-2-1-3-7-19)25-11-10-24(35-26(25)18-34-17-23)15-27(32)29-22-13-20-8-4-5-9-21(20)14-22/h1-9,22-26,31H,10-18H2,(H,29,32)/t23-,24+,25+,26-/m0/s1" ; chebi:inchikey "JKLIXGQQXOXZKK-QUMGSSFMSA-N" ; chebi:mass "478.581" ; chebi:monoisotopicmass "478.24677" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)CC3=CC=CC=C3)O)O[C@H]1CC(=O)NC4CC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101051" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(1-oxo-2-phenylethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_101052 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H28FN3O7" ; chebi:inchi "InChI=1S/C29H28FN3O7/c30-21-3-1-2-4-22(21)33-29(36)32-17-6-8-23-19(10-17)20-11-18(39-26(14-34)28(20)40-23)12-27(35)31-13-16-5-7-24-25(9-16)38-15-37-24/h1-10,18,20,26,28,34H,11-15H2,(H,31,35)(H2,32,33,36)/t18-,20+,26+,28-/m1/s1" ; chebi:inchikey "QUTKLMAKSFRFCA-PNCJJDQKSA-N" ; chebi:mass "549.548" ; chebi:monoisotopicmass "549.19113" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101052" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_101053 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28FN3O6" ; chebi:inchi "InChI=1S/C25H28FN3O6/c26-19-3-1-2-4-20(19)28-25(32)27-15-5-6-21-17(11-15)18-12-16(34-22(14-30)24(18)35-21)13-23(31)29-7-9-33-10-8-29/h1-6,11,16,18,22,24,30H,7-10,12-14H2,(H2,27,28,32)/t16-,18-,22+,24+/m0/s1" ; chebi:inchikey "RREKHFLFIWGNNG-IGSZLMQBSA-N" ; chebi:mass "485.506" ; chebi:monoisotopicmass "485.19621" ; chebi:smiles "C1COCCN1C(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101053" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(2-fluorophenyl)urea" . obo:CHEBI_101054 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32F2N4O4" ; chebi:inchi "InChI=1S/C25H32F2N4O4/c1-15-12-30(3)16(2)14-35-22-11-18(7-8-19(22)24(32)31(4)13-23(15)34-5)28-25(33)29-21-10-17(26)6-9-20(21)27/h6-11,15-16,23H,12-14H2,1-5H3,(H2,28,29,33)/t15-,16+,23-/m1/s1" ; chebi:inchikey "AKULYVRZEMKLJR-VBURHUQHSA-N" ; chebi:mass "490.544" ; chebi:monoisotopicmass "490.23916" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101054" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101055 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C18H20F3N3O4" ; chebi:inchi "InChI=1S/C18H20F3N3O4/c19-18(20,21)8-22-16(27)15-11(7-25)10-6-23-12(2-1-3-13(23)26)14(10)24(15)17(28)9-4-5-9/h1-3,9-11,14-15,25H,4-8H2,(H,22,27)/t10-,11-,14+,15-/m1/s1" ; chebi:inchikey "HYHGLNWEXAHCEQ-HKCMKHECSA-N" ; chebi:mass "399.365" ; chebi:monoisotopicmass "399.14059" ; chebi:smiles "C1CC1C(=O)N2[C@H]3[C@H](CN4C3=CC=CC4=O)[C@H]([C@@H]2C(=O)NCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101055" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101056 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16-,18+,19-/m0/s1" ; chebi:inchikey "LYYREMJMDQKNES-WQCNXYOZSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@H]1C(=O)N(C[C@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101056" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12429" . obo:CHEBI_101057 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 . _:b110 rdf:type owl:Restriction . obo:CHEBI_101057 rdfs:subClassOf _:b110 . _:b110 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17154 . obo:CHEBI_101057 chebi:charge "0" ; chebi:formula "C21H30N4O4" ; chebi:inchi "InChI=1S/C21H30N4O4/c26-15-19-18(24-21(28)16-5-4-8-22-14-16)7-6-17(29-19)13-20(27)23-9-12-25-10-2-1-3-11-25/h4-8,14,17-19,26H,1-3,9-13,15H2,(H,23,27)(H,24,28)/t17-,18-,19+/m1/s1" ; chebi:inchikey "VGDFEWNPUKUXSQ-QRVBRYPASA-N" ; chebi:mass "402.488" ; chebi:monoisotopicmass "402.22671" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101057" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide" . obo:CHEBI_101058 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31ClN2O6S" ; chebi:inchi "InChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20+,22-,23+/m0/s1" ; chebi:inchikey "JLFHHDVKVXKGLO-PABCKOPISA-N" ; chebi:mass "523.043" ; chebi:monoisotopicmass "522.15914" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101058" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_101059 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C24H20F2N4O5" ; chebi:inchi "InChI=1S/C24H20F2N4O5/c25-13-3-5-16(26)17(8-13)28-24(35)30-19-10-29-18(21(30)20(23(33)34)15(19)11-31)6-4-14(22(29)32)12-2-1-7-27-9-12/h1-9,15,19-21,31H,10-11H2,(H,28,35)(H,33,34)/t15-,19-,20+,21+/m0/s1" ; chebi:inchikey "VFFJPMQBAVMOHZ-JWOSDPRPSA-N" ; chebi:mass "482.437" ; chebi:monoisotopicmass "482.14018" ; chebi:smiles "C1[C@H]2[C@@H]([C@H]([C@H](N2C(=O)NC3=C(C=CC(=C3)F)F)C4=CC=C(C(=O)N41)C5=CN=CC=C5)C(=O)O)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101059" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12432" . obo:CHEBI_10106 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25106 ; rdfs:subClassOf obo:CHEBI_33572 . _:b111 rdf:type owl:Restriction . obo:CHEBI_10106 rdfs:subClassOf _:b111 . _:b111 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76946 . _:b112 rdf:type owl:Restriction . obo:CHEBI_10106 rdfs:subClassOf _:b112 . _:b112 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76990 . obo:CHEBI_10106 obo:IAO_0000115 "A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species." ; chebi:charge "0" ; chebi:formula "C18H22O5" ; chebi:inchi "InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1" ; chebi:inchikey "MBMQEIFVQACCCH-QBODLPLBSA-N" ; chebi:mass "318.36430" ; chebi:monoisotopicmass "318.14672" ; chebi:smiles "C[C@H]1CCCC(=O)CCC\\C=C\\c2cc(O)cc(O)c2C(=O)O1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10106" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zearalenone" . obo:CHEBI_101060 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H24F2N2O6S" ; chebi:inchi "InChI=1S/C22H24F2N2O6S/c1-33(29,30)26-14-3-5-19-16(7-14)17-8-15(31-20(11-27)22(17)32-19)9-21(28)25-10-12-6-13(23)2-4-18(12)24/h2-7,15,17,20,22,26-27H,8-11H2,1H3,(H,25,28)/t15-,17-,20+,22+/m1/s1" ; chebi:inchikey "IELDZLYSVNRCSJ-KHNCNGADSA-N" ; chebi:mass "482.499" ; chebi:monoisotopicmass "482.13231" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101060" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101061 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-16(17-7-3-2-4-8-17)25-23(29)14-19-10-11-20(21(15-27)30-19)26-22(28)13-18-9-5-6-12-24-18/h2-12,16,19-21,27H,13-15H2,1H3,(H,25,29)(H,26,28)/t16-,19+,20+,21-/m1/s1" ; chebi:inchikey "GWEQQAXOIQTOQH-MBPVOVBZSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101061" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101062 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34F3N3O4" ; chebi:inchi "InChI=1S/C24H34F3N3O4/c1-15-12-30(10-9-24(25,26)27)16(2)14-34-20-8-7-18(28-22(31)17-5-6-17)11-19(20)23(32)29(3)13-21(15)33-4/h7-8,11,15-17,21H,5-6,9-10,12-14H2,1-4H3,(H,28,31)/t15-,16-,21+/m1/s1" ; chebi:inchikey "LPOPNFSKLDAMKV-ZOCZFRKYSA-N" ; chebi:mass "485.541" ; chebi:monoisotopicmass "485.25014" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101062" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101063 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18358 ; owl:deprecated true . obo:CHEBI_101064 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; rdfs:subClassOf obo:CHEBI_37149 ; rdfs:subClassOf obo:CHEBI_50996 ; rdfs:subClassOf obo:CHEBI_76224 ; rdfs:subClassOf obo:CHEBI_78840 ; rdfs:subClassOf obo:CHEBI_83575 . _:b113 rdf:type owl:Restriction . obo:CHEBI_101064 rdfs:subClassOf _:b113 . _:b113 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_101086 . _:b114 rdf:type owl:Restriction . obo:CHEBI_101064 rdfs:subClassOf _:b114 . _:b114 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . _:b115 rdf:type owl:Restriction . obo:CHEBI_101064 rdfs:subClassOf _:b115 . _:b115 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_41308 . _:b116 rdf:type owl:Restriction . obo:CHEBI_101064 rdfs:subClassOf _:b116 . _:b116 owl:onProperty chebi2:is_conjugate_base_of ; owl:someValuesFrom obo:CHEBI_101224 . obo:CHEBI_101064 obo:IAO_0000115 "An aromatic ketone that is 2-fluoro-4'-bromobenzophenone in which the hydrogen at position 4 (meta to the fluoro group) is replaced by a 6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy group. An inhibitor of lanosterol synthase." ; chebi:charge "0" ; chebi:formula "C23H27BrFNO2" ; chebi:inchi "InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3" ; chebi:inchikey "CMYCCJYVZIMDFU-UHFFFAOYSA-N" ; chebi:mass "448.369" ; chebi:monoisotopicmass "447.12092" ; chebi:smiles "C(=O)(C1=CC=C(C=C1F)OCCCCCCN(CC=C)C)C=2C=CC(=CC2)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101064" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "Ro 48-8071" . obo:CHEBI_101065 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H29N5O3" ; chebi:inchi "InChI=1S/C23H29N5O3/c1-25-9-11-26(12-10-25)23(31)21-17(15-29)19-14-27-18(3-2-4-20(27)30)22(21)28(19)13-16-5-7-24-8-6-16/h2-8,17,19,21-22,29H,9-15H2,1H3/t17-,19-,21+,22+/m1/s1" ; chebi:inchikey "BSTTWZJBQFNDNI-IVOMFYJKSA-N" ; chebi:mass "423.509" ; chebi:monoisotopicmass "423.22704" ; chebi:smiles "CN1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3CC5=CC=NC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101065" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12437" . obo:CHEBI_101066 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30ClFN2O6S2" ; chebi:inchi "InChI=1S/C22H30ClFN2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-18(23)12-21)22(32-4)14-25(3)33(28,29)20-10-8-19(24)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22-/m0/s1" ; chebi:inchikey "KNLROJRONDBMAV-JKSBSHDWSA-N" ; chebi:mass "537.068" ; chebi:monoisotopicmass "536.12178" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101066" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101067 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H28N2O6S" ; chebi:inchi "InChI=1S/C20H28N2O6S/c1-29(25,26)22-13-6-7-17-15(8-13)16-9-14(27-18(11-23)20(16)28-17)10-19(24)21-12-4-2-3-5-12/h6-8,12,14,16,18,20,22-23H,2-5,9-11H2,1H3,(H,21,24)/t14-,16-,18-,20+/m0/s1" ; chebi:inchikey "BEWGTMHICYCEOA-PFSLXQJOSA-N" ; chebi:mass "424.513" ; chebi:monoisotopicmass "424.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NC4CCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101067" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide" . obo:CHEBI_101068 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22-,26+,28+/m1/s1" ; chebi:inchikey "WXIRIDSMDJYJEU-OEZGUAFWSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101068" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101069 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C29H33N3O4" ; chebi:inchi "InChI=1S/C29H33N3O4/c1-20-16-32(21(2)18-33)29(35)26-11-7-6-10-25(26)24-9-5-4-8-23(24)19-36-27(20)17-31(3)28(34)22-12-14-30-15-13-22/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21+,27+/m1/s1" ; chebi:inchikey "VHVNEVJWYRMESY-BUEREQSYSA-N" ; chebi:mass "487.591" ; chebi:monoisotopicmass "487.24711" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4=CC=NC=C4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101069" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12441" . obo:CHEBI_10107 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16522 ; owl:deprecated true . obo:CHEBI_101070 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-35-26-12-11-23(17-30(36)33-22-14-19-6-2-3-7-20(19)15-22)41-28(26)18-40-27-13-10-21(16-24(27)31(35)37)34-42(38,39)29-9-5-4-8-25(29)32/h2-10,13,16,22-23,26,28,34H,11-12,14-15,17-18H2,1H3,(H,33,36)/t23-,26+,28-/m1/s1" ; chebi:inchikey "WCNQFBRPFNRKRV-RXWNPYQGSA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101070" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_101071 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H29N3O4" ; chebi:inchi "InChI=1S/C25H29N3O4/c1-26(2)25(32)21-18(14-29)20-13-27-19(22(21)28(20)23(30)16-9-6-10-16)12-11-17(24(27)31)15-7-4-3-5-8-15/h3-5,7-8,11-12,16,18,20-22,29H,6,9-10,13-14H2,1-2H3/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "MBRBGBQUUNVPJA-YJMBLLCNSA-N" ; chebi:mass "435.516" ; chebi:monoisotopicmass "435.21581" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]1N2C(=O)C5CCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101071" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12443" . obo:CHEBI_101072 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C23H26N2O6S" ; chebi:inchi "InChI=1S/C23H26N2O6S/c1-25-18-7-6-15(11-22(27)29-2)31-20(18)13-30-19-8-5-14(10-17(19)23(25)28)24-21(26)12-16-4-3-9-32-16/h3-5,8-10,15,18,20H,6-7,11-13H2,1-2H3,(H,24,26)/t15-,18+,20+/m1/s1" ; chebi:inchikey "VIAXYKVUXVILCJ-BPAFIMBUSA-N" ; chebi:mass "458.529" ; chebi:monoisotopicmass "458.15116" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101072" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101073 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H38N4O4S" ; chebi:inchi "InChI=1S/C31H38N4O4S/c1-31(2,3)40(39)35-19-24-18-25(30(38)34(6)7)32-28(27(24)26(35)15-16-36)23-10-8-9-22(17-23)20-11-13-21(14-12-20)29(37)33(4)5/h8-14,17-18,26,36H,15-16,19H2,1-7H3/t26-,40-/m1/s1" ; chebi:inchikey "WMNVIWBOXVWRSQ-ZCQGCHJCSA-N" ; chebi:mass "562.725" ; chebi:monoisotopicmass "562.26138" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101073" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101074 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-18(2)29-27(34)30-21-10-11-23-24(13-21)36-17-20(4)32(15-22-9-7-8-12-28-22)14-19(3)25(35-6)16-31(5)26(23)33/h7-13,18-20,25H,14-17H2,1-6H3,(H2,29,30,34)/t19-,20+,25-/m1/s1" ; chebi:inchikey "YDXYYDXTJISMJT-OHUGHZGNSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101074" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_101075 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H36N2O5" ; chebi:inchi "InChI=1S/C21H36N2O5/c24-17-12-23(11-16-5-7-26-8-6-16)19-4-3-18(28-20(19)14-27-13-17)9-21(25)22-10-15-1-2-15/h15-20,24H,1-14H2,(H,22,25)/t17-,18-,19-,20+/m1/s1" ; chebi:inchikey "NCINSYYDRJCYKJ-WTGUMLROSA-N" ; chebi:mass "396.522" ; chebi:monoisotopicmass "396.26242" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3CCOCC3)O)O[C@H]1CC(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101075" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_101076 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H34N4O6" ; chebi:inchi "InChI=1S/C27H34N4O6/c1-30-9-11-31(12-10-30)25(33)15-20-14-22-21-13-18(5-8-23(21)37-26(22)24(16-32)36-20)29-27(34)28-17-3-6-19(35-2)7-4-17/h3-8,13,20,22,24,26,32H,9-12,14-16H2,1-2H3,(H2,28,29,34)/t20-,22+,24-,26-/m1/s1" ; chebi:inchikey "OQZDFPDHTDCUCP-FWSIMYTDSA-N" ; chebi:mass "510.583" ; chebi:monoisotopicmass "510.24783" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101076" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_101077 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c28-22-8-4-1-5-16(22)14-29-25(33)13-19-12-21-20-11-18(31-27(34)30-17-6-2-3-7-17)9-10-23(20)36-26(21)24(15-32)35-19/h1,4-5,8-11,17,19,21,24,26,32H,2-3,6-7,12-15H2,(H,29,33)(H2,30,31,34)/t19-,21-,24+,26+/m0/s1" ; chebi:inchikey "MSBIHNOYSLVJHR-FBNDAJROSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101077" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101078 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c25-18-3-1-2-16(10-18)12-27-23(30)11-20-4-5-21-22(33-20)15-32-14-19(29)13-28(21)24(31)17-6-8-26-9-7-17/h1-3,6-10,19-22,29H,4-5,11-15H2,(H,27,30)/t19-,20-,21-,22+/m0/s1" ; chebi:inchikey "VWRSVZSWDSMGOW-MYGLTJDJSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC=NC=C3)O)O[C@@H]1CC(=O)NCC4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101078" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_101079 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C24H23FN2O2" ; chebi:inchi "InChI=1S/C24H23FN2O2/c25-20-8-4-7-19(13-20)24(29)27-21(14-26)23(22(27)15-28)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h4-5,7-13,21-23,28H,1-3,6,15H2/t21-,22+,23+/m1/s1" ; chebi:inchikey "BSEGMNXKWUIHHS-VJBWXMMDSA-N" ; chebi:mass "390.451" ; chebi:monoisotopicmass "390.17436" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)C(=O)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101079" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_10108 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27547 ; owl:deprecated true . obo:CHEBI_101080 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C32H39N3O4" ; chebi:inchi "InChI=1S/C32H39N3O4/c1-22-18-35(23(2)20-36)31(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-39-30(22)19-34(4)32(38)33-24(3)25-12-6-5-7-13-25/h5-17,22-24,30,36H,18-21H2,1-4H3,(H,33,38)/t22-,23-,24-,30-/m1/s1" ; chebi:inchikey "VBARFQGDBKSOKL-NULUGNBJSA-N" ; chebi:mass "529.671" ; chebi:monoisotopicmass "529.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101080" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12452" . obo:CHEBI_101081 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O6" ; chebi:inchi "InChI=1S/C21H28N2O6/c1-27-19(25)10-14-9-16-15-8-13(23-21(26)22-12-4-2-3-5-12)6-7-17(15)29-20(16)18(11-24)28-14/h6-8,12,14,16,18,20,24H,2-5,9-11H2,1H3,(H2,22,23,26)/t14-,16+,18+,20-/m0/s1" ; chebi:inchikey "KXSIODNMTPRENB-UQWBFEFOSA-N" ; chebi:mass "404.458" ; chebi:monoisotopicmass "404.19474" ; chebi:smiles "COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4CCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101081" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101082 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H39N3O6" ; chebi:inchi "InChI=1S/C27H39N3O6/c31-17-24-26-22(15-20(35-24)16-25(32)28-8-11-30-9-2-1-3-10-30)21-14-19(4-5-23(21)36-26)29-27(33)18-6-12-34-13-7-18/h4-5,14,18,20,22,24,26,31H,1-3,6-13,15-17H2,(H,28,32)(H,29,33)/t20-,22+,24+,26-/m0/s1" ; chebi:inchikey "XIMMKRXXDKAOMK-RXDHMRHRSA-N" ; chebi:mass "501.616" ; chebi:monoisotopicmass "501.28389" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101082" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101083 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H31ClN2O6S" ; chebi:inchi "InChI=1S/C22H31ClN2O6S/c23-16-5-4-6-19(11-16)32(28,29)25-13-17(26)14-30-15-21-20(25)8-7-18(31-21)12-22(27)24-9-2-1-3-10-24/h4-6,11,17-18,20-21,26H,1-3,7-10,12-15H2/t17-,18+,20-,21+/m0/s1" ; chebi:inchikey "WUWHFUUUQPRUMO-IZZBFERCSA-N" ; chebi:mass "487.011" ; chebi:monoisotopicmass "486.15914" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3S(=O)(=O)C4=CC(=CC=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101083" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_101084 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H31N3O6" ; chebi:inchi "InChI=1S/C21H31N3O6/c1-23(2)20(26)10-17-7-8-18-19(30-17)13-29-12-15(25)11-24(18)21(27)22-14-5-4-6-16(9-14)28-3/h4-6,9,15,17-19,25H,7-8,10-13H2,1-3H3,(H,22,27)/t15-,17+,18-,19+/m1/s1" ; chebi:inchikey "SSPYWNJKRFMGCQ-LULLPPNCSA-N" ; chebi:mass "421.488" ; chebi:monoisotopicmass "421.22129" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)NC3=CC(=CC=C3)OC)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101084" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101085 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; rdfs:subClassOf obo:CHEBI_35358 . _:b117 rdf:type owl:Restriction . obo:CHEBI_101085 rdfs:subClassOf _:b117 . _:b117 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_23018 . _:b118 rdf:type owl:Restriction . obo:CHEBI_101085 rdfs:subClassOf _:b118 . _:b118 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_39456 . _:b119 rdf:type owl:Restriction . obo:CHEBI_101085 rdfs:subClassOf _:b119 . _:b119 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_66981 . obo:CHEBI_101085 obo:IAO_0000115 "A sulfonamide that is benzene-1,3-disulfonamide in which the hydrogens at positions 4 and 5 are substituted by chlorine. An oral carbonic anhydrase inhibitor, it partially suppresses the secretion (inflow) of aqueous humor in the eye and so reduces intraocular pressure. It is used for the treatment of glaucoma." ; chebi:charge "0" ; chebi:formula "C6H6Cl2N2O4S2" ; chebi:inchi "InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)" ; chebi:inchikey "GJQPMPFPNINLKP-UHFFFAOYSA-N" ; chebi:mass "305.15900" ; chebi:monoisotopicmass "303.91460" ; chebi:smiles "NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O" ; oboInOwl:hasAlternativeId "CHEBI:4505" ; oboInOwl:hasAlternativeId "CHEBI:47477" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101085" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "diclofenamide" . obo:CHEBI_101086 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_101090 ; obo:IAO_0000115 "An EC 5.4.99.* (intramolecular transferase transferring other groups) inhibitor that interferes with the action of lanosterol synthase (EC 5.4.99.7)." ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101086" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "EC 5.4.99.7 (lanosterol synthase) inhibitor" . obo:CHEBI_101087 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-29(2)15-25(32)28-19-7-8-23-21(11-19)22-12-20(34-24(16-31)27(22)35-23)13-26(33)30-10-9-17-5-3-4-6-18(17)14-30/h3-8,11,20,22,24,27,31H,9-10,12-16H2,1-2H3,(H,28,32)/t20-,22+,24+,27-/m0/s1" ; chebi:inchikey "AJOHYGOUUFRWKL-YRGRZTQCSA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101087" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide" . obo:CHEBI_101088 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_16733 ; chebi:charge "0" ; chebi:formula "C28H26N2O6" ; chebi:inchi "InChI=1S/C28H26N2O6/c31-15-21-20-14-29-22(10-9-19(27(29)32)8-6-17-4-2-1-3-5-17)25(20)30(26(21)28(33)34)13-18-7-11-23-24(12-18)36-16-35-23/h1-12,20-21,25-26,31H,13-16H2,(H,33,34)/t20-,21-,25+,26-/m1/s1" ; chebi:inchikey "JUBZNFCZFZOAAP-YTFNCPKPSA-N" ; chebi:mass "486.517" ; chebi:monoisotopicmass "486.17909" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H](N([C@@H]2C3=CC=C(C(=O)N31)C=CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6)C(=O)O)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101088" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12459" . obo:CHEBI_101089 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_4702 ; owl:deprecated true . obo:CHEBI_10109 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C19H24O7" ; chebi:inchi "InChI=1S/C19H24O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h6,12-15,20,23H,1,4,7-8H2,2-3,5H3/b10-6-/t12-,13-,14+,15+,18-,19-/m1/s1" ; chebi:inchikey "PKPVGZROZJWCTE-GIKWLFIVSA-N" ; chebi:mass "364.390" ; chebi:monoisotopicmass "364.15220" ; chebi:smiles "CC(=C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@@H]2O)\\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10109" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zexbrevin B" . obo:CHEBI_101090 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76695 ; obo:IAO_0000115 "An EC 5.4.* (intramolecular transferase) inhibitor that interferes with the activity of any intramolecular transferase transferring other groups (EC 5.4.99.*)." ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101090" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "EC 5.4.99.* (intramolecular transferase transferring other groups) inhibitor" . obo:CHEBI_101091 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C31H34N4O6" ; chebi:inchi "InChI=1S/C31H34N4O6/c1-35-25-9-8-22(18-29(36)33-16-13-20-11-14-32-15-12-20)41-28(25)19-40-27-10-7-21(17-24(27)31(35)38)34-30(37)23-5-3-4-6-26(23)39-2/h3-7,10-12,14-15,17,22,25,28H,8-9,13,16,18-19H2,1-2H3,(H,33,36)(H,34,37)/t22-,25+,28+/m1/s1" ; chebi:inchikey "PQVOHAVDCPBJEV-ATILKMQGSA-N" ; chebi:mass "558.626" ; chebi:monoisotopicmass "558.24783" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4OC)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101091" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide" . obo:CHEBI_101092 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-17-14-29(3)18(2)16-35-22-12-11-19(13-20(22)25(31)30(4)15-24(17)34-6)27-26(32)28-21-9-7-8-10-23(21)33-5/h7-13,17-18,24H,14-16H2,1-6H3,(H2,27,28,32)/t17-,18-,24-/m1/s1" ; chebi:inchikey "MQWQDAVBIBJDRV-QZTZHPFYSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101092" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-methoxyphenyl)-3-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101093 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H29N3O4" ; chebi:inchi "InChI=1S/C20H29N3O4/c24-13-18-17(23-20(26)15-2-1-3-15)5-4-16(27-18)8-11-22-19(25)12-14-6-9-21-10-7-14/h6-7,9-10,15-18,24H,1-5,8,11-13H2,(H,22,25)(H,23,26)/t16-,17+,18-/m0/s1" ; chebi:inchikey "CZXCLXHYAUMTPI-KSZLIROESA-N" ; chebi:mass "375.463" ; chebi:monoisotopicmass "375.21581" ; chebi:smiles "C1CC(C1)C(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCNC(=O)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101093" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(1-oxo-2-pyridin-4-ylethyl)amino]ethyl]-3-oxanyl]cyclobutanecarboxamide" . obo:CHEBI_101094 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-17(2)26-24(29)25-15-14-20-10-13-22(23(16-28)33-20)27-34(30,31)21-11-8-19(9-12-21)32-18-6-4-3-5-7-18/h3-9,11-12,17,20,22-23,27-28H,10,13-16H2,1-2H3,(H2,25,26,29)/t20-,22-,23+/m0/s1" ; chebi:inchikey "URVFCIGKBRHLNA-ACIOBRDBSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "CC(C)NC(=O)NCC[C@@H]1CC[C@@H]([C@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101094" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea" . obo:CHEBI_101095 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C18H18FN3O4S" ; chebi:inchi "InChI=1S/C18H18FN3O4S/c19-12-3-1-2-11(8-12)17(25)21-14-5-4-13(26-15(14)10-23)9-16(24)22-18-20-6-7-27-18/h1-8,13-15,23H,9-10H2,(H,21,25)(H,20,22,24)/t13-,14-,15-/m1/s1" ; chebi:inchikey "UCAVQNBXNWPRQF-RBSFLKMASA-N" ; chebi:mass "391.418" ; chebi:monoisotopicmass "391.10021" ; chebi:smiles "C1=CC(=CC(=C1)F)C(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101095" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_101096 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; rdfs:subClassOf obo:CHEBI_37947 . _:b120 rdf:type owl:Restriction . obo:CHEBI_101096 rdfs:subClassOf _:b120 . _:b120 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_23018 . _:b121 rdf:type owl:Restriction . obo:CHEBI_101096 rdfs:subClassOf _:b121 . _:b121 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35498 . _:b122 rdf:type owl:Restriction . obo:CHEBI_101096 rdfs:subClassOf _:b122 . _:b122 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_39456 . obo:CHEBI_101096 obo:IAO_0000115 "1,3-Benzothiazole substituted a sulfonamide and an ethoxy group at positions 2 and 6, respectively. A carbonic anhydrase inhibitor, it has been used in the treatment of glaucoma, and as a diuretic." ; chebi:charge "0" ; chebi:formula "C9H10N2O3S2" ; chebi:inchi "InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)" ; chebi:inchikey "OUZWUKMCLIBBOG-UHFFFAOYSA-N" ; chebi:mass "258.31700" ; chebi:monoisotopicmass "258.01328" ; chebi:smiles "CCOc1ccc2nc(sc2c1)S(N)(=O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101096" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "ethoxzolamide" . obo:CHEBI_101097 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50921 . _:b123 rdf:type owl:Restriction . obo:CHEBI_101097 rdfs:subClassOf _:b123 . _:b123 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_101224 . _:b124 rdf:type owl:Restriction . obo:CHEBI_101097 rdfs:subClassOf _:b124 . _:b124 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_37154 . _:b125 rdf:type owl:Restriction . obo:CHEBI_101097 rdfs:subClassOf _:b125 . _:b125 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_101086 . _:b126 rdf:type owl:Restriction . obo:CHEBI_101097 rdfs:subClassOf _:b126 . _:b126 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . obo:CHEBI_101097 obo:IAO_0000115 "A fumarate salt obtained by combining Ro 48-8071 with one molar equivalent of fumaric acid. An inhibitor of lanosterol synthase." ; chebi:charge "0" ; chebi:formula "C27H31BrFNO6" ; chebi:inchi "InChI=1S/C23H27BrFNO2.C4H4O4/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18;5-3(6)1-2-4(7)8/h3,8-13,17H,1,4-7,14-16H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+" ; chebi:inchikey "XCYAYLWZCRGKDS-WLHGVMLRSA-N" ; chebi:mass "564.441" ; chebi:monoisotopicmass "563.13188" ; chebi:smiles "C(=O)(C1=CC=C(C=C1F)OCCCCCCN(CC=C)C)C=2C=CC(=CC2)Br.C(\\C(O)=O)=C/C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101097" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "Ro 48-8071 fumarate" . obo:CHEBI_101098 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H32N2O5" ; chebi:inchi "InChI=1S/C29H32N2O5/c1-31(2)20-10-13-26-24(14-20)25-15-23(35-27(18-32)29(25)36-26)16-28(33)30-17-19-8-11-22(12-9-19)34-21-6-4-3-5-7-21/h3-14,23,25,27,29,32H,15-18H2,1-2H3,(H,30,33)/t23-,25+,27-,29-/m1/s1" ; chebi:inchikey "MRJCPWMBHXTRFB-SYBYNBCQSA-N" ; chebi:mass "488.576" ; chebi:monoisotopicmass "488.23112" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101098" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_101099 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21-,22+,23-,24+/m0/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-OSFFKXSWSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101099" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8R,10aS)-3-hydroxy-8-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_1011 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15998 ; owl:deprecated true . obo:CHEBI_10110 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22680 ; rdfs:subClassOf obo:CHEBI_48441 . _:b127 rdf:type owl:Restriction . obo:CHEBI_10110 rdfs:subClassOf _:b127 . _:b127 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35221 . _:b128 rdf:type owl:Restriction . obo:CHEBI_10110 rdfs:subClassOf _:b128 . _:b128 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36044 . _:b129 rdf:type owl:Restriction . obo:CHEBI_10110 rdfs:subClassOf _:b129 . _:b129 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_53756 . obo:CHEBI_10110 obo:IAO_0000115 "A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase." ; chebi:charge "0" ; chebi:formula "C10H13N5O4" ; chebi:inchi "InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1" ; chebi:inchikey "HBOMLICNUCNMMY-XLPZGREQSA-N" ; chebi:mass "267.24130" ; chebi:monoisotopicmass "267.09675" ; chebi:smiles "Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O" ; oboInOwl:hasAlternativeId "CHEBI:619601" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10110" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zidovudine" . obo:CHEBI_101100 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c28-22-8-4-1-5-16(22)14-29-25(33)13-19-12-21-20-11-18(31-27(34)30-17-6-2-3-7-17)9-10-23(20)36-26(21)24(15-32)35-19/h1,4-5,8-11,17,19,21,24,26,32H,2-3,6-7,12-15H2,(H,29,33)(H2,30,31,34)/t19-,21-,24+,26+/m1/s1" ; chebi:inchikey "MSBIHNOYSLVJHR-HUZKPYMCSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101100" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101101 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H28N4O5" ; chebi:inchi "InChI=1S/C27H28N4O5/c32-16-24-27-22(13-20(35-24)14-25(33)30-15-19-3-1-2-8-29-19)21-12-18(4-5-23(21)36-27)31-26(34)11-17-6-9-28-10-7-17/h1-10,12,20,22,24,27,32H,11,13-16H2,(H,30,33)(H,31,34)/t20-,22-,24-,27+/m0/s1" ; chebi:inchikey "NURZYHIHZDJTSB-MWLAQPAQSA-N" ; chebi:mass "488.536" ; chebi:monoisotopicmass "488.20597" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101101" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_101102 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H29ClF2N2O4" ; chebi:inchi "InChI=1S/C25H29ClF2N2O4/c26-18-3-1-16(2-4-18)11-29-25(32)10-21-6-8-23-24(34-21)15-33-14-20(31)13-30(23)12-17-9-19(27)5-7-22(17)28/h1-5,7,9,20-21,23-24,31H,6,8,10-15H2,(H,29,32)/t20-,21-,23-,24+/m1/s1" ; chebi:inchikey "VYCGBAYEGCCJIH-KOVSNXQUSA-N" ; chebi:mass "494.959" ; chebi:monoisotopicmass "494.17839" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=C(C=CC(=C3)F)F)O)O[C@H]1CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101102" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_101103 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C29H35N3O3" ; chebi:inchi "InChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-24(25)20-35-28(21)18-31(3)17-23-12-14-30-15-13-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22+,28+/m1/s1" ; chebi:inchikey "KEOFNYFHDQHRAV-WENCSYSZSA-N" ; chebi:mass "473.608" ; chebi:monoisotopicmass "473.26784" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=NC=C4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101103" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12472" . obo:CHEBI_101104 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C18H23N3O4" ; chebi:inchi "InChI=1S/C18H23N3O4/c22-11-16-15(21-18(24)13-5-7-19-8-6-13)4-3-14(25-16)9-17(23)20-10-12-1-2-12/h3-8,12,14-16,22H,1-2,9-11H2,(H,20,23)(H,21,24)/t14-,15+,16-/m0/s1" ; chebi:inchikey "UGRHUCUWEJLITN-XHSDSOJGSA-N" ; chebi:mass "345.394" ; chebi:monoisotopicmass "345.16886" ; chebi:smiles "C1CC1CNC(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101104" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_101105 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O6" ; chebi:inchi "InChI=1S/C24H38N4O6/c1-15(2)25-24(31)28-11-16(3)21(33-7)12-27(5)23(30)19-9-8-18(26-22(29)14-32-6)10-20(19)34-13-17(28)4/h8-10,15-17,21H,11-14H2,1-7H3,(H,25,31)(H,26,29)/t16-,17+,21-/m1/s1" ; chebi:inchikey "AOOMHDUDPOWWMY-LLGFUMIMSA-N" ; chebi:mass "478.583" ; chebi:monoisotopicmass "478.27913" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101105" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6R,9S)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_101106 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26N2O6S" ; chebi:inchi "InChI=1S/C19H26N2O6S/c1-28(24,25)21-12-4-5-16-14(6-12)15-7-13(26-17(10-22)19(15)27-16)8-18(23)20-9-11-2-3-11/h4-6,11,13,15,17,19,21-22H,2-3,7-10H2,1H3,(H,20,23)/t13-,15+,17-,19-/m0/s1" ; chebi:inchikey "YSCGDHRCRJHNHR-PZFZOXMESA-N" ; chebi:mass "410.486" ; chebi:monoisotopicmass "410.15116" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101106" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_101107 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22-,27+,28-/m1/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-BWLGUYNBSA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H]4CCCN4C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101107" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12476" . obo:CHEBI_101108 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H32N4O4" ; chebi:inchi "InChI=1S/C28H32N4O4/c33-16-23-22-15-31-24(7-4-8-25(31)34)26(22)32(14-21-17-36-18-29-21)27(23)28(35)30-11-9-20(10-12-30)13-19-5-2-1-3-6-19/h1-8,17-18,20,22-23,26-27,33H,9-16H2/t22-,23-,26+,27-/m1/s1" ; chebi:inchikey "YCNDEIYRXZASMY-JUIYCPNDSA-N" ; chebi:mass "488.579" ; chebi:monoisotopicmass "488.24236" ; chebi:smiles "C1CN(CCC1CC2=CC=CC=C2)C(=O)[C@H]3[C@@H]([C@H]4CN5C(=O)C=CC=C5[C@H]4N3CC6=COC=N6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101108" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(4-oxazolylmethyl)-2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_101109 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H43N5O4S" ; chebi:inchi "InChI=1S/C34H43N5O4S/c1-34(2,3)44(43)39-22-27-21-28(33(42)38-16-14-37(6)15-17-38)35-31(30(27)29(39)13-18-40)25-11-7-9-23(19-25)24-10-8-12-26(20-24)32(41)36(4)5/h7-12,19-21,29,40H,13-18,22H2,1-6H3/t29-,44-/m0/s1" ; chebi:inchikey "JAGKHPQTGSVHMY-RGLUPAHUSA-N" ; chebi:mass "617.804" ; chebi:monoisotopicmass "617.30358" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101109" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_10111 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23436 ; chebi:charge "0" ; chebi:formula "C14H17NO7" ; chebi:inchi "InChI=1S/C14H17NO7/c15-5-9(7-2-1-3-8(17)4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1" ; chebi:inchikey "KCVXNPDAHDGXFD-YOVYLDAJSA-N" ; chebi:mass "311.288" ; chebi:monoisotopicmass "311.10050" ; chebi:smiles "OC[C@H]1O[C@@H](O[C@H](C#N)c2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10111" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zierin" . obo:CHEBI_101110 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O5" ; chebi:inchi "InChI=1S/C25H33N3O5/c1-16-13-26-17(2)15-33-22-10-9-19(12-21(22)25(30)28(3)14-23(16)32-5)27-24(29)18-7-6-8-20(11-18)31-4/h6-12,16-17,23,26H,13-15H2,1-5H3,(H,27,29)/t16-,17+,23-/m0/s1" ; chebi:inchikey "OOHQDHOXZWVAAU-MFEFFIJZSA-N" ; chebi:mass "455.548" ; chebi:monoisotopicmass "455.24202" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101110" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101111 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C23H30N2O3" ; chebi:inchi "InChI=1S/C23H30N2O3/c1-16-13-25(17(2)14-26)23(27)21-11-7-6-10-20(21)19-9-5-4-8-18(19)15-28-22(16)12-24-3/h4-11,16-17,22,24,26H,12-15H2,1-3H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "VMUIUYUBOUUZSN-GSHUGGBRSA-N" ; chebi:mass "382.497" ; chebi:monoisotopicmass "382.22564" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CNC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101111" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12480" . obo:CHEBI_101112 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H34N2O6" ; chebi:inchi "InChI=1S/C25H34N2O6/c28-15-22-24-20(13-18(32-22)14-23(29)27-8-2-1-3-9-27)19-12-17(4-5-21(19)33-24)26-25(30)16-6-10-31-11-7-16/h4-5,12,16,18,20,22,24,28H,1-3,6-11,13-15H2,(H,26,30)/t18-,20+,22+,24-/m0/s1" ; chebi:inchikey "SADUCKDCBXEUGG-AYEZKCMBSA-N" ; chebi:mass "458.548" ; chebi:monoisotopicmass "458.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101112" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101113 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H27Cl2FN2O5" ; chebi:inchi "InChI=1S/C25H27Cl2FN2O5/c26-19-7-5-15(9-20(19)27)11-29-24(32)10-17-6-8-22-23(35-17)14-34-13-16(31)12-30(22)25(33)18-3-1-2-4-21(18)28/h1-5,7,9,16-17,22-23,31H,6,8,10-14H2,(H,29,32)/t16-,17-,22+,23-/m1/s1" ; chebi:inchikey "NLZWENHPOORBAO-ROEJJBDBSA-N" ; chebi:mass "525.398" ; chebi:monoisotopicmass "524.12811" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@H]1CC(=O)NCC4=CC(=C(C=C4)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101113" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_101114 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H32FN3O3" ; chebi:inchi "InChI=1S/C29H32FN3O3/c1-3-14-32-26-23(24(17-34)27(32)28(35)31-18(2)19-8-5-4-6-9-19)16-33-25(26)13-12-22(29(33)36)20-10-7-11-21(30)15-20/h4-13,15,18,23-24,26-27,34H,3,14,16-17H2,1-2H3,(H,31,35)/t18-,23-,24-,26+,27-/m1/s1" ; chebi:inchikey "FDXOBPCLNSDZHU-MQWSOPDOSA-N" ; chebi:mass "489.582" ; chebi:monoisotopicmass "489.24277" ; chebi:smiles "CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC(=CC=C4)F)[C@H]([C@@H]1C(=O)N[C@H](C)C5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101114" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101115 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21-,23-,25+,27+/m0/s1" ; chebi:inchikey "ISBRQPNQXSURAN-VRTJCWFZSA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101115" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101116 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C29H35N3O3" ; chebi:inchi "InChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-13-7-6-12-26(27)25-11-5-4-10-24(25)20-35-28(21)18-31(3)17-23-9-8-14-30-15-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22-,28-/m0/s1" ; chebi:inchikey "JEKWQBVWBTUQQJ-VPYPWEPUSA-N" ; chebi:mass "473.608" ; chebi:monoisotopicmass "473.26784" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CN=CC=C4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101116" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12485" . obo:CHEBI_101117 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C19H31N5O5" ; chebi:inchi "InChI=1S/C19H31N5O5/c1-12-18(13(2)29-23-12)22-19(27)21-15-7-6-14(28-16(15)11-25)10-17(26)20-8-5-9-24(3)4/h6-7,14-16,25H,5,8-11H2,1-4H3,(H,20,26)(H2,21,22,27)/t14-,15+,16+/m1/s1" ; chebi:inchikey "IXKFMJFBYVYICU-PMPSAXMXSA-N" ; chebi:mass "409.481" ; chebi:monoisotopicmass "409.23252" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101117" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2R,3S,6S)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101118 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C20H25N3O3" ; chebi:inchi "InChI=1S/C20H25N3O3/c1-2-3-15-4-6-16(7-5-15)20-17(12-21)23(18(20)14-24)19(25)13-22-8-10-26-11-9-22/h2-7,17-18,20,24H,8-11,13-14H2,1H3/t17-,18+,20-/m1/s1" ; chebi:inchikey "KJLVFPZXKUGLPF-WSTZPKSXSA-N" ; chebi:mass "355.432" ; chebi:monoisotopicmass "355.18959" ; chebi:smiles "CC=CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2C#N)C(=O)CN3CCOCC3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101118" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12487" . obo:CHEBI_101119 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21-,24-,26+,28+/m0/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-WIHQZPQOSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101119" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_10112 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38836 ; rdfs:subClassOf obo:CHEBI_47857 . _:b130 rdf:type owl:Restriction . obo:CHEBI_10112 rdfs:subClassOf _:b130 . _:b130 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35475 . _:b131 rdf:type owl:Restriction . obo:CHEBI_10112 rdfs:subClassOf _:b131 . _:b131 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_49159 . _:b132 rdf:type owl:Restriction . obo:CHEBI_10112 rdfs:subClassOf _:b132 . _:b132 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_49167 . _:b133 rdf:type owl:Restriction . obo:CHEBI_10112 rdfs:subClassOf _:b133 . _:b133 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_64964 . _:b134 rdf:type owl:Restriction . obo:CHEBI_10112 rdfs:subClassOf _:b134 . _:b134 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_35858 . obo:CHEBI_10112 obo:IAO_0000115 "A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogen at position 2 is replaced by a 1-[carbamoyl(hydroxy)amino]ethyl group. A selective 5-lipoxygenase inhibitor, it inhibits the formation of leukotrienes LTB4, LTC4, LDT4, and LTE4. It is used for the management of chronic asthma." ; chebi:charge "0" ; chebi:formula "C11H12N2O2S" ; chebi:inchi "InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)" ; chebi:inchikey "MWLSOWXNZPKENC-UHFFFAOYSA-N" ; chebi:mass "236.29126" ; chebi:monoisotopicmass "236.06195" ; chebi:smiles "CC(N(O)C(N)=O)c1cc2ccccc2s1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10112" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zileuton" . obo:CHEBI_101120 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-17-14-31(26(33)20-6-5-11-28-13-20)18(2)16-36-23-10-9-21(29-25(32)19-7-8-19)12-22(23)27(34)30(3)15-24(17)35-4/h5-6,9-13,17-19,24H,7-8,14-16H2,1-4H3,(H,29,32)/t17-,18+,24+/m1/s1" ; chebi:inchikey "DILHJWACXDWAEF-YTZAWJCFSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101120" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(3-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101121 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c28-21-8-4-5-9-22(21)31-27(34)30-17-10-11-23-19(12-17)20-13-18(35-24(15-32)26(20)36-23)14-25(33)29-16-6-2-1-3-7-16/h4-5,8-12,16,18,20,24,26,32H,1-3,6-7,13-15H2,(H,29,33)(H2,30,31,34)/t18-,20-,24+,26+/m0/s1" ; chebi:inchikey "GAKFIKLLFOVZGV-DCCOOJGFSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101121" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_101122 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O8S" ; chebi:inchi "InChI=1S/C27H35N3O8S/c1-6-39(33,34)28-20-8-10-22-21(12-20)27(32)29(4)14-25(35-5)17(2)13-30(18(3)15-36-22)26(31)19-7-9-23-24(11-19)38-16-37-23/h7-12,17-18,25,28H,6,13-16H2,1-5H3/t17-,18-,25-/m0/s1" ; chebi:inchikey "UZJARJIYRQCXCT-RPPIVITFSA-N" ; chebi:mass "561.649" ; chebi:monoisotopicmass "561.21449" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC4=C(C=C3)OCO4)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101122" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-[1,3-benzodioxol-5-yl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_101123 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H24N2O3S" ; chebi:inchi "InChI=1S/C23H24N2O3S/c24-15-21-23(19-13-11-18(12-14-19)17-7-3-1-4-8-17)22(16-26)25(21)29(27,28)20-9-5-2-6-10-20/h2,5-7,9-14,21-23,26H,1,3-4,8,16H2/t21-,22+,23-/m0/s1" ; chebi:inchikey "POAXSVANNSAIAV-ZRBLBEILSA-N" ; chebi:mass "408.515" ; chebi:monoisotopicmass "408.15076" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@H](N([C@H]3C#N)S(=O)(=O)C4=CC=CC=C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101123" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101124 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H34N4O7" ; chebi:inchi "InChI=1S/C32H34N4O7/c1-36-26-11-10-23(15-30(37)33-21-8-7-19-16-41-17-20(19)13-21)43-29(26)18-42-27-12-9-22(14-24(27)31(36)38)34-32(39)35-25-5-3-4-6-28(25)40-2/h3-9,12-14,23,26,29H,10-11,15-18H2,1-2H3,(H,33,37)(H2,34,35,39)/t23-,26+,29-/m1/s1" ; chebi:inchikey "XZXFEFKMJGRIPH-ZSOKXDGFSA-N" ; chebi:mass "586.636" ; chebi:monoisotopicmass "586.24275" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4OC)CC(=O)NC5=CC6=C(COC6)C=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101124" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(2-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(1,3-dihydroisobenzofuran-5-yl)acetamide" . obo:CHEBI_101125 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29N3O7S" ; chebi:inchi "InChI=1S/C21H29N3O7S/c1-23-17-5-4-15(12-20(25)24-7-9-29-10-8-24)31-19(17)13-30-18-6-3-14(22-32(2,27)28)11-16(18)21(23)26/h3,6,11,15,17,19,22H,4-5,7-10,12-13H2,1-2H3/t15-,17+,19-/m0/s1" ; chebi:inchikey "VPEDYPFQYJVQKE-WDYCEAGBSA-N" ; chebi:mass "467.538" ; chebi:monoisotopicmass "467.17262" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)N4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101125" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]methanesulfonamide" . obo:CHEBI_101126 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-10-9-20(27-24(30)18-7-6-8-19(26)11-18)12-21(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17-,23-/m0/s1" ; chebi:inchikey "CFNBOAHXJHVCOD-QQMNAOGKSA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101126" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101127 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c1-18(20-5-3-2-4-6-20)31-28(35)16-22-15-24-23-14-21(32-27(34)13-19-9-11-30-12-10-19)7-8-25(23)37-29(24)26(17-33)36-22/h2-12,14,18,22,24,26,29,33H,13,15-17H2,1H3,(H,31,35)(H,32,34)/t18-,22+,24+,26+,29-/m0/s1" ; chebi:inchikey "XWECZACFMCVSEP-VFSPHUKHSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101127" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101128 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H39N5O5" ; chebi:inchi "InChI=1S/C32H39N5O5/c1-19-15-37(20(2)17-38)31(39)30-28(25-13-9-10-14-26(25)36(30)6)24-12-8-7-11-23(24)18-41-27(19)16-35(5)32(40)33-29-21(3)34-42-22(29)4/h7-14,19-20,27,38H,15-18H2,1-6H3,(H,33,40)/t19-,20+,27-/m1/s1" ; chebi:inchikey "WBCPGODJHKXDGU-IOKPGSKQSA-N" ; chebi:mass "573.684" ; chebi:monoisotopicmass "573.29512" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101128" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12497" . obo:CHEBI_101129 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C19H29N3O4" ; chebi:inchi "InChI=1S/C19H29N3O4/c1-2-21-19(24)9-16-3-4-17-18(26-16)13-25-12-15(23)11-22(17)10-14-5-7-20-8-6-14/h5-8,15-18,23H,2-4,9-13H2,1H3,(H,21,24)/t15-,16-,17+,18-/m1/s1" ; chebi:inchikey "MKIQWJGRPCGZSV-ZJPYXAASSA-N" ; chebi:mass "363.452" ; chebi:monoisotopicmass "363.21581" ; chebi:smiles "CCNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2CC3=CC=NC=C3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101129" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(pyridin-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_10113 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_29105 ; owl:deprecated true . obo:CHEBI_101130 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H15FN2O3S" ; chebi:inchi "InChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(22,23)20-15(10-19)17(16(20)11-21)12-4-2-1-3-5-12/h1-9,15-17,21H,11H2/t15-,16-,17+/m1/s1" ; chebi:inchikey "LIAUQGYQVCFFMZ-ZACQAIPSSA-N" ; chebi:mass "346.378" ; chebi:monoisotopicmass "346.07874" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@H](N([C@@H]2C#N)S(=O)(=O)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101130" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_101131 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H23F3N2O6S" ; chebi:inchi "InChI=1S/C22H23F3N2O6S/c23-22(24,25)12-26-20(29)10-14-9-17-16-8-13(27-34(30,31)15-4-2-1-3-5-15)6-7-18(16)33-21(17)19(11-28)32-14/h1-8,14,17,19,21,27-28H,9-12H2,(H,26,29)/t14-,17-,19-,21+/m1/s1" ; chebi:inchikey "AWBUKOBMSNOSJG-QTRJSKNGSA-N" ; chebi:mass "500.490" ; chebi:monoisotopicmass "500.12289" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101131" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide" . obo:CHEBI_101132 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H30N4O7S" ; chebi:inchi "InChI=1S/C22H30N4O7S/c1-14-11-26(34(5,29)30)15(2)13-32-18-7-6-16(24-21(27)19-8-9-23-33-19)10-17(18)22(28)25(3)12-20(14)31-4/h6-10,14-15,20H,11-13H2,1-5H3,(H,24,27)/t14-,15-,20-/m1/s1" ; chebi:inchikey "CRZDWKBDRGRNEI-STXHMFSFSA-N" ; chebi:mass "494.563" ; chebi:monoisotopicmass "494.18352" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=NO3)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101132" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide" . obo:CHEBI_101133 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21+,22-,23+/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-UOXSANAJSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101133" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12502" . obo:CHEBI_101134 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H26FN3O3" ; chebi:inchi "InChI=1S/C23H26FN3O3/c1-26-19-11-27-18(10-9-16(23(27)30)13-5-7-14(24)8-6-13)21(26)20(17(19)12-28)22(29)25-15-3-2-4-15/h5-10,15,17,19-21,28H,2-4,11-12H2,1H3,(H,25,29)/t17-,19-,20+,21+/m1/s1" ; chebi:inchikey "JCKMTOKPWGTWPB-PBASOCQRSA-N" ; chebi:mass "411.470" ; chebi:monoisotopicmass "411.19582" ; chebi:smiles "CN1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]1[C@H]([C@@H]2CO)C(=O)NC5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101134" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12503" . obo:CHEBI_101135 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C34H43N3O4" ; chebi:inchi "InChI=1S/C34H43N3O4/c1-24-20-37(25(2)22-38)33(39)30-18-12-11-17-29(30)28-16-10-9-15-27(28)23-41-32(24)21-36(5)34(40)31(35(3)4)19-26-13-7-6-8-14-26/h6-18,24-25,31-32,38H,19-23H2,1-5H3/t24-,25+,31-,32-/m1/s1" ; chebi:inchikey "ZQFGNRPCSITOFH-JAORTXGNSA-N" ; chebi:mass "557.724" ; chebi:monoisotopicmass "557.32536" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101135" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12504" . obo:CHEBI_101136 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18+,19+,20+/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-TTYHFUOFSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101136" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_101137 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-9-26(31)28-22-12-13-24-23(14-22)27(32)29(4)17-25(33-5)19(2)15-30(20(3)18-34-24)16-21-10-7-8-11-21/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20+,25-/m0/s1" ; chebi:inchikey "VSOIFNIWZGPCNV-DFIYOIEZSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101137" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101138 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35ClN4O5" ; chebi:inchi "InChI=1S/C27H35ClN4O5/c1-6-25(33)32-14-17(2)24(36-5)15-31(4)26(34)22-12-11-21(13-23(22)37-16-18(32)3)30-27(35)29-20-9-7-19(28)8-10-20/h7-13,17-18,24H,6,14-16H2,1-5H3,(H2,29,30,35)/t17-,18-,24+/m1/s1" ; chebi:inchikey "FPIGUEAYUNMTQH-GGUMNFRJSA-N" ; chebi:mass "531.045" ; chebi:monoisotopicmass "530.22960" ; chebi:smiles "CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101138" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-chlorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101139 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H30N4O4S" ; chebi:inchi "InChI=1S/C25H30N4O4S/c1-15-12-26-16(2)14-33-20-11-17(9-10-18(20)25(31)29(3)13-21(15)32-4)27-23(30)24-28-19-7-5-6-8-22(19)34-24/h5-11,15-16,21,26H,12-14H2,1-4H3,(H,27,30)/t15-,16-,21+/m1/s1" ; chebi:inchikey "HNVRJEXAKGMODG-ZOCZFRKYSA-N" ; chebi:mass "482.597" ; chebi:monoisotopicmass "482.19878" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101139" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_10114 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28783 ; owl:deprecated true . obo:CHEBI_101140 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H34N2O6" ; chebi:inchi "InChI=1S/C25H34N2O6/c28-15-22-24-20(13-18(32-22)14-23(29)27-8-2-1-3-9-27)19-12-17(4-5-21(19)33-24)26-25(30)16-6-10-31-11-7-16/h4-5,12,16,18,20,22,24,28H,1-3,6-11,13-15H2,(H,26,30)/t18-,20-,22+,24+/m1/s1" ; chebi:inchikey "SADUCKDCBXEUGG-NROSNUSPSA-N" ; chebi:mass "458.548" ; chebi:monoisotopicmass "458.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101140" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101141 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24-,25+,31+/m0/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-CNFUJFEGSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101141" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12510" . obo:CHEBI_101142 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C23H34FN3O4" ; chebi:inchi "InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20-,21+,22-/m1/s1" ; chebi:inchikey "UZQWVSGPDQQYNK-YUMYIRISSA-N" ; chebi:mass "435.533" ; chebi:monoisotopicmass "435.25333" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC(=CC=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101142" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_101143 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H29N3O5" ; chebi:inchi "InChI=1S/C25H29N3O5/c1-26(2)25(32)22-19(13-29)18-12-27-20(21(18)28(22)23(30)14-7-8-14)10-9-17(24(27)31)15-5-4-6-16(11-15)33-3/h4-6,9-11,14,18-19,21-22,29H,7-8,12-13H2,1-3H3/t18-,19-,21+,22-/m1/s1" ; chebi:inchikey "GXOJNSFKOZUWBX-KRXUUXHPSA-N" ; chebi:mass "451.516" ; chebi:monoisotopicmass "451.21072" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)OC)[C@H]2N1C(=O)C5CC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101143" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-7-(3-methoxyphenyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101144 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H35N3O7S" ; chebi:inchi "InChI=1S/C31H35N3O7S/c1-20-8-12-24(13-9-20)42(37,38)33-22-10-15-28-25(16-22)31(36)34(2)26-14-11-23(41-29(26)19-40-28)17-30(35)32-18-21-6-4-5-7-27(21)39-3/h4-10,12-13,15-16,23,26,29,33H,11,14,17-19H2,1-3H3,(H,32,35)/t23-,26+,29+/m1/s1" ; chebi:inchikey "GYVRMNXHBKDJFJ-IXLXJOPFSA-N" ; chebi:mass "593.693" ; chebi:monoisotopicmass "593.21957" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@@H](O4)CC(=O)NCC5=CC=CC=C5OC)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101144" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101145 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H30N4O6" ; chebi:inchi "InChI=1S/C28H30N4O6/c1-36-20-8-5-17(6-9-20)31-28(35)32-18-7-10-24-22(12-18)23-13-21(37-25(16-33)27(23)38-24)14-26(34)30-15-19-4-2-3-11-29-19/h2-12,21,23,25,27,33H,13-16H2,1H3,(H,30,34)(H2,31,32,35)/t21-,23-,25+,27+/m1/s1" ; chebi:inchikey "FWDZHOQSJMEDFJ-RESCMLIYSA-N" ; chebi:mass "518.562" ; chebi:monoisotopicmass "518.21653" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101145" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_101146 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C30H35FN2O3" ; chebi:inchi "InChI=1S/C30H35FN2O3/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-36-29(21)18-32(3)17-23-9-8-11-25(31)15-23/h4-15,21-22,29,34H,16-20H2,1-3H3/t21-,22+,29+/m0/s1" ; chebi:inchikey "ZIZYGTWNPVBARE-DKGMKSHISA-N" ; chebi:mass "490.610" ; chebi:monoisotopicmass "490.26317" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC(=CC=C4)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101146" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12515" . obo:CHEBI_101147 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-6-9-27-22(32)30-11-15(2)20(35-5)12-29(4)21(31)18-8-7-17(10-19(18)36-13-16(30)3)28-37(33,34)14-23(24,25)26/h7-8,10,15-16,20,28H,6,9,11-14H2,1-5H3,(H,27,32)/t15-,16-,20+/m1/s1" ; chebi:inchikey "LVUSIZZVUUASSP-QINHECLXSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "CCCNC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101147" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_101148 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C24H23F3N2O6" ; chebi:inchi "InChI=1S/C24H23F3N2O6/c1-29-18-7-6-16(11-21(30)31)35-20(18)12-34-19-8-5-15(10-17(19)23(29)33)28-22(32)13-3-2-4-14(9-13)24(25,26)27/h2-5,8-10,16,18,20H,6-7,11-12H2,1H3,(H,28,32)(H,30,31)/t16-,18-,20-/m0/s1" ; chebi:inchikey "MPULVBUDJGIXBK-QRFRQXIXSA-N" ; chebi:mass "492.445" ; chebi:monoisotopicmass "492.15082" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101148" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_101149 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30F2N4O4" ; chebi:inchi "InChI=1S/C24H30F2N4O4/c1-14-11-27-15(2)13-34-21-8-6-17(10-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-20-9-16(25)5-7-19(20)26/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15+,22-/m1/s1" ; chebi:inchikey "KJNJKXAQFIYZGQ-ZCCHDVMBSA-N" ; chebi:mass "476.517" ; chebi:monoisotopicmass "476.22351" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101149" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_10115 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33643 ; rdfs:subClassOf obo:CHEBI_35189 . _:b135 rdf:type owl:Restriction . obo:CHEBI_10115 rdfs:subClassOf _:b135 . _:b135 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_583099 . obo:CHEBI_10115 obo:IAO_0000115 "2-Methylcyclohexa-1,3-diene in which a hydrogen at the 5 position is substituted (R configuration) by a 6-methyl-hept-5-en-2-yl group (S configuration). It is a sesquiterpene found in the dried rhizomes of Indonesian ginger, Zingiber officinale." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3/t14-,15+/m0/s1" ; chebi:inchikey "KKOXKGNSUHTUBV-LSDHHAIUSA-N" ; chebi:mass "204.35110" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "[H][C@@]1(CC=C(C)C=C1)[C@@H](C)CCC=C(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10115" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zingiberene" . obo:CHEBI_101150 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H24N2O3S" ; chebi:inchi "InChI=1S/C23H24N2O3S/c24-15-21-23(19-13-11-18(12-14-19)17-7-3-1-4-8-17)22(16-26)25(21)29(27,28)20-9-5-2-6-10-20/h2,5-7,9-14,21-23,26H,1,3-4,8,16H2/t21-,22-,23+/m0/s1" ; chebi:inchikey "POAXSVANNSAIAV-RJGXRXQPSA-N" ; chebi:mass "408.515" ; chebi:monoisotopicmass "408.15076" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)S(=O)(=O)C4=CC=CC=C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101150" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101151 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H35N3O4S" ; chebi:inchi "InChI=1S/C29H35N3O4S/c1-6-30-28(34)24-17-22-18-32(37(35)29(2,3)4)25(13-14-33)26(22)27(31-24)21-11-7-9-19(15-21)20-10-8-12-23(16-20)36-5/h7-12,15-17,25,33H,6,13-14,18H2,1-5H3,(H,30,34)/t25-,37-/m0/s1" ; chebi:inchikey "YHQIULRSPQCSKT-RSUXDYMJSA-N" ; chebi:mass "521.673" ; chebi:monoisotopicmass "521.23483" ; chebi:smiles "CCNC(=O)C1=NC(=C2[C@@H](N(CC2=C1)[S@@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101151" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-N-ethyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101152 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H30FN3O4S2" ; chebi:inchi "InChI=1S/C20H30FN3O4S2/c1-15(19(28-4)12-23(3)13-20-22-9-10-29-20)11-24(16(2)14-25)30(26,27)18-7-5-17(21)6-8-18/h5-10,15-16,19,25H,11-14H2,1-4H3/t15-,16+,19-/m1/s1" ; chebi:inchikey "HDBUQVYPKWOJFH-JTDSTZFVSA-N" ; chebi:mass "459.601" ; chebi:monoisotopicmass "459.16618" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)CC2=NC=CS2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101152" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide" . obo:CHEBI_101153 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C28H33N3O6" ; chebi:inchi "InChI=1S/C28H33N3O6/c1-31-23-11-10-21(14-26(32)29-15-17-3-4-17)37-25(23)16-36-24-12-7-19(13-22(24)28(31)34)30-27(33)18-5-8-20(35-2)9-6-18/h5-9,12-13,17,21,23,25H,3-4,10-11,14-16H2,1-2H3,(H,29,32)(H,30,33)/t21-,23-,25-/m1/s1" ; chebi:inchikey "IGRBOWQNYYEHHT-GZGNHOFSSA-N" ; chebi:mass "507.579" ; chebi:monoisotopicmass "507.23694" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101153" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide" . obo:CHEBI_101154 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C27H29F2N3O6" ; chebi:inchi "InChI=1S/C27H29F2N3O6/c1-31-22-6-4-18(14-25(33)32-8-10-36-11-9-32)38-24(22)15-37-23-7-3-17(13-19(23)27(31)35)30-26(34)16-2-5-20(28)21(29)12-16/h2-3,5,7,12-13,18,22,24H,4,6,8-11,14-15H2,1H3,(H,30,34)/t18-,22-,24+/m0/s1" ; chebi:inchikey "RISZPRWRWDPXQV-JKFKMHIGSA-N" ; chebi:mass "529.533" ; chebi:monoisotopicmass "529.20244" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101154" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_101155 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H26N2O5" ; chebi:inchi "InChI=1S/C18H26N2O5/c1-12(22)20-16-7-6-15(25-17(16)11-21)9-18(23)19-10-13-4-3-5-14(8-13)24-2/h3-5,8,15-17,21H,6-7,9-11H2,1-2H3,(H,19,23)(H,20,22)/t15-,16+,17-/m0/s1" ; chebi:inchikey "QHWKOKDSIMAAGX-BBWFWOEESA-N" ; chebi:mass "350.410" ; chebi:monoisotopicmass "350.18417" ; chebi:smiles "CC(=O)N[C@@H]1CC[C@H](O[C@H]1CO)CC(=O)NCC2=CC(=CC=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101155" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101156 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18-,20+,21+/m1/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-NXXWWENFSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101156" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101157 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31N5O5" ; chebi:inchi "InChI=1S/C24H31N5O5/c1-15-12-29(24(32)20-11-25-8-9-26-20)16(2)14-34-21-7-6-18(27-17(3)30)10-19(21)23(31)28(4)13-22(15)33-5/h6-11,15-16,22H,12-14H2,1-5H3,(H,27,30)/t15-,16-,22-/m1/s1" ; chebi:inchikey "PQYPJTAQDSWLTB-XCGNWRKASA-N" ; chebi:mass "469.534" ; chebi:monoisotopicmass "469.23252" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=NC=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101157" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101158 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C17H28N2O4" ; chebi:inchi "InChI=1S/C17H28N2O4/c20-10-15-14(19-17(22)12-2-1-3-12)7-6-13(23-15)8-16(21)18-9-11-4-5-11/h11-15,20H,1-10H2,(H,18,21)(H,19,22)/t13-,14+,15+/m0/s1" ; chebi:inchikey "MSNHHRRUCLPTHC-RRFJBIMHSA-N" ; chebi:mass "324.416" ; chebi:monoisotopicmass "324.20491" ; chebi:smiles "C1CC(C1)C(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101158" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide" . obo:CHEBI_101159 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-11-6-5-10-20(21)25)22(33-4)14-27(3)34(31,32)19-9-7-8-18(24)12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17-,22+/m1/s1" ; chebi:inchikey "QUGGTUJVTWBVOW-YVHKJVDXSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101159" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[(3-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_10116 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24897 ; chebi:charge "0" ; chebi:formula "C15H19NO3" ; chebi:inchi "InChI=1S/C15H19NO3/c1-9(2)5-6-19-13-7-11-12(8-16-15(11)17)14(18-4)10(13)3/h5,7H,6,8H2,1-4H3,(H,16,17)" ; chebi:inchikey "DSOITGJEUKHAJN-UHFFFAOYSA-N" ; chebi:mass "261.317" ; chebi:monoisotopicmass "261.13649" ; chebi:smiles "COc1c2CNC(=O)c2cc(OCC=C(C)C)c1C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10116" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zinnimidine" . obo:CHEBI_101160 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c1-22(2)13-5-6-17-15(7-13)16-8-14(25-18(11-23)20(16)26-17)9-19(24)21-10-12-3-4-12/h5-7,12,14,16,18,20,23H,3-4,8-11H2,1-2H3,(H,21,24)/t14-,16+,18-,20-/m1/s1" ; chebi:inchikey "JLJMCVQNTFDIRA-IHMNZUQTSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101160" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_101161 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H24F5N3O4" ; chebi:inchi "InChI=1S/C23H24F5N3O4/c24-15-7-13(8-16(25)9-15)11-29-21(33)10-18-5-6-19(20(12-32)35-18)31-22(34)30-17-3-1-14(2-4-17)23(26,27)28/h1-4,7-9,18-20,32H,5-6,10-12H2,(H,29,33)(H2,30,31,34)/t18-,19+,20+/m1/s1" ; chebi:inchikey "CXBDXCVDLXJCMX-AABGKKOBSA-N" ; chebi:mass "501.447" ; chebi:monoisotopicmass "501.16870" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=CC(=CC(=C2)F)F)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101161" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,5-difluorophenyl)methyl]-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_101162 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C29H33N3O4" ; chebi:inchi "InChI=1S/C29H33N3O4/c1-20-16-32(21(2)18-33)29(35)26-11-7-6-10-25(26)24-9-5-4-8-23(24)19-36-27(20)17-31(3)28(34)22-12-14-30-15-13-22/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21+,27+/m0/s1" ; chebi:inchikey "VHVNEVJWYRMESY-FYQCMVGJSA-N" ; chebi:mass "487.591" ; chebi:monoisotopicmass "487.24711" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101162" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12531" . obo:CHEBI_101163 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C22H29N5O5S" ; chebi:inchi "InChI=1S/C22H29N5O5S/c1-25-14-21(23-16-25)33(30,31)24-19-8-7-18(32-20(19)15-28)13-22(29)27-11-9-26(10-12-27)17-5-3-2-4-6-17/h2-8,14,16,18-20,24,28H,9-13,15H2,1H3/t18-,19+,20+/m0/s1" ; chebi:inchikey "ADNYLXRIKBBTKJ-XUVXKRRUSA-N" ; chebi:mass "475.563" ; chebi:monoisotopicmass "475.18894" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)N3CCN(CC3)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101163" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_101164 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26961 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H31N3O6S" ; chebi:inchi "InChI=1S/C29H31N3O6S/c1-32-23-10-9-21(15-27(33)30-16-18-5-3-6-20(13-18)36-2)38-25(23)17-37-24-11-8-19(14-22(24)29(32)35)31-28(34)26-7-4-12-39-26/h3-8,11-14,21,23,25H,9-10,15-17H2,1-2H3,(H,30,33)(H,31,34)/t21-,23-,25-/m0/s1" ; chebi:inchikey "DZYZVJKKUJSUJU-RSEQLOHWSA-N" ; chebi:mass "549.640" ; chebi:monoisotopicmass "549.19336" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101164" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide" . obo:CHEBI_101165 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31F3N2O4S" ; chebi:inchi "InChI=1S/C23H31F3N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17-,23-/m0/s1" ; chebi:inchikey "HABLAPXLJDLSLY-QQMNAOGKSA-N" ; chebi:mass "488.565" ; chebi:monoisotopicmass "488.19566" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101165" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101166 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32Cl2N2O4S" ; chebi:inchi "InChI=1S/C23H32Cl2N2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)25)23(31-4)15-26(3)32(29,30)21-11-9-20(24)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18+,23+/m0/s1" ; chebi:inchikey "JYNGQINEBKOLSY-YZZKKUAISA-N" ; chebi:mass "503.484" ; chebi:monoisotopicmass "502.14598" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101166" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_101167 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H35N3O3" ; chebi:inchi "InChI=1S/C26H35N3O3/c30-16-21-20-15-28-22(11-10-19(25(28)31)18-6-2-3-7-18)23(20)29(14-17-8-9-17)24(21)26(32)27-12-4-1-5-13-27/h6,10-11,17,20-21,23-24,30H,1-5,7-9,12-16H2/t20-,21-,23+,24-/m1/s1" ; chebi:inchikey "JLGYBICAMNQLPS-CJTFWIGWSA-N" ; chebi:mass "437.575" ; chebi:monoisotopicmass "437.26784" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CCCC5)[C@H]3N2CC6CC6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101167" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-2-[oxo(1-piperidinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_101168 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18-,20-,22+,25+/m1/s1" ; chebi:inchikey "ALLGXHRZPBERLG-UUTHAWMKSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101168" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101169 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C20H19FN2O3S" ; chebi:inchi "InChI=1S/C20H19FN2O3S/c1-2-4-14-7-9-15(10-8-14)20-18(12-22)23(19(20)13-24)27(25,26)17-6-3-5-16(21)11-17/h2-11,18-20,24H,13H2,1H3/t18-,19-,20-/m1/s1" ; chebi:inchikey "CRECGCTYSBAAAJ-VAMGGRTRSA-N" ; chebi:mass "386.442" ; chebi:monoisotopicmass "386.11004" ; chebi:smiles "CC=CC1=CC=C(C=C1)[C@H]2[C@H](N([C@@H]2C#N)S(=O)(=O)C3=CC=CC(=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101169" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12538" . obo:CHEBI_10117 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C15H22O4" ; chebi:inchi "InChI=1S/C15H22O4/c1-10(2)5-6-19-14-7-12(8-16)13(9-17)15(18-4)11(14)3/h5,7,16-17H,6,8-9H2,1-4H3" ; chebi:inchikey "DUMQPTRUYCCSEZ-UHFFFAOYSA-N" ; chebi:mass "266.333" ; chebi:monoisotopicmass "266.15181" ; chebi:smiles "COc1c(C)c(OCC=C(C)C)cc(CO)c1CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10117" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zinniol" . obo:CHEBI_101170 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O5S" ; chebi:inchi "InChI=1S/C23H34N4O5S/c1-31-21-9-5-6-10-23(21)33(29,30)25-19-12-11-18(32-22(19)16-28)13-14-27-15-20(24-26-27)17-7-3-2-4-8-17/h5-6,9-10,15,17-19,22,25,28H,2-4,7-8,11-14,16H2,1H3/t18-,19-,22-/m1/s1" ; chebi:inchikey "HBWIVVUPODMQBV-WOIUINJBSA-N" ; chebi:mass "478.607" ; chebi:monoisotopicmass "478.22499" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCN3C=C(N=N3)C4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101170" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methoxybenzenesulfonamide" . obo:CHEBI_101171 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29ClN4O5S" ; chebi:inchi "InChI=1S/C21H29ClN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16+,20+/m0/s1" ; chebi:inchikey "FDINZZIDFRBVPX-RZQQEMMASA-N" ; chebi:mass "484.999" ; chebi:monoisotopicmass "484.15472" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101171" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_101172 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H37FN4O3" ; chebi:inchi "InChI=1S/C29H37FN4O3/c1-21(17-34(22(2)20-35)29(36)32-26-14-12-25(30)13-15-26)28(37-4)19-33(3)18-23-8-10-24(11-9-23)27-7-5-6-16-31-27/h5-16,21-22,28,35H,17-20H2,1-4H3,(H,32,36)/t21-,22-,28+/m1/s1" ; chebi:inchikey "XSSRKRLNCLGOQF-XJGOYTCSSA-N" ; chebi:mass "508.629" ; chebi:monoisotopicmass "508.28497" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=CC=C(C=C2)C3=CC=CC=N3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101172" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea" . obo:CHEBI_101173 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b136 rdf:type owl:Restriction . obo:CHEBI_101173 rdfs:subClassOf _:b136 . _:b136 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_101173 chebi:charge "0" ; chebi:formula "C19H19F2N3O3" ; chebi:inchi "InChI=1S/C19H19F2N3O3/c20-11-4-10(5-12(21)6-11)7-22-19(27)17-13(9-25)14-8-24-15(18(17)23-14)2-1-3-16(24)26/h1-6,13-14,17-18,23,25H,7-9H2,(H,22,27)/t13-,14-,17+,18+/m0/s1" ; chebi:inchikey "ZFBXTHNADMEDJT-LBTBCDHLSA-N" ; chebi:mass "375.370" ; chebi:monoisotopicmass "375.13945" ; chebi:smiles "C1[C@H]2[C@@H]([C@H]([C@H](N2)C3=CC=CC(=O)N31)C(=O)NCC4=CC(=CC(=C4)F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101173" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12542" . obo:CHEBI_101174 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H31F3N4O4" ; chebi:inchi "InChI=1S/C25H31F3N4O4/c1-15-12-29-16(2)14-36-21-10-9-19(11-20(21)23(33)32(3)13-22(15)35-4)31-24(34)30-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,29H,12-14H2,1-4H3,(H2,30,31,34)/t15-,16-,22+/m1/s1" ; chebi:inchikey "GXRZKRPKTHFHBM-MCFFVMPBSA-N" ; chebi:mass "508.534" ; chebi:monoisotopicmass "508.22974" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101174" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101175 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-6-9-25(32)29-20-11-12-23-21(14-20)26(33)30(4)16-24(35-5)18(2)15-31(19(3)17-36-23)27(34)22-10-7-8-13-28-22/h7-8,10-14,18-19,24H,6,9,15-17H2,1-5H3,(H,29,32)/t18-,19-,24-/m1/s1" ; chebi:inchikey "ZTXXWNNQGVNFQF-KHCICDEESA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101175" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101176 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C31H41N3O6" ; chebi:inchi "InChI=1S/C31H41N3O6/c1-38-28-10-6-5-9-26(28)32-31(37)34-19-24(35)20-39-21-29-27(34)12-11-25(40-29)18-30(36)33-15-13-23(14-16-33)17-22-7-3-2-4-8-22/h2-10,23-25,27,29,35H,11-21H2,1H3,(H,32,37)/t24-,25-,27-,29+/m0/s1" ; chebi:inchikey "PLPDORRRKBPITR-SEGPTPNXSA-N" ; chebi:mass "551.675" ; chebi:monoisotopicmass "551.29954" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101176" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101177 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H37N3O5S" ; chebi:inchi "InChI=1S/C26H37N3O5S/c1-6-14-29-16-19(2)25(33-5)17-28(4)26(30)23-15-21(12-13-24(23)34-18-20(29)3)27-35(31,32)22-10-8-7-9-11-22/h7-13,15,19-20,25,27H,6,14,16-18H2,1-5H3/t19-,20-,25+/m1/s1" ; chebi:inchikey "HWYKCLATECFWDF-FHAGJXEFSA-N" ; chebi:mass "503.656" ; chebi:monoisotopicmass "503.24539" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101177" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101178 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-17(2)26-24(29)25-15-14-20-10-13-22(23(16-28)33-20)27-34(30,31)21-11-8-19(9-12-21)32-18-6-4-3-5-7-18/h3-9,11-12,17,20,22-23,27-28H,10,13-16H2,1-2H3,(H2,25,26,29)/t20-,22+,23-/m0/s1" ; chebi:inchikey "URVFCIGKBRHLNA-WWNPGLIZSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "CC(C)NC(=O)NCC[C@@H]1CC[C@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101178" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea" . obo:CHEBI_101179 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C15H16FNO5" ; chebi:inchi "InChI=1S/C15H16FNO5/c16-11-4-2-1-3-10(11)15(21)17-12-6-5-9(7-14(19)20)22-13(12)8-18/h1-6,9,12-13,18H,7-8H2,(H,17,21)(H,19,20)/t9-,12+,13+/m0/s1" ; chebi:inchikey "QPJNNDOFKLWHFX-ZWKOPEQDSA-N" ; chebi:mass "309.290" ; chebi:monoisotopicmass "309.10125" ; chebi:smiles "C1=CC=C(C(=C1)C(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)O)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101179" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid" . obo:CHEBI_10118 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38831 ; chebi:charge "0" ; chebi:formula "C15H18O5" ; chebi:inchi "InChI=1S/C15H18O5/c1-8(2)5-6-19-11-7-10-12(13(18-4)9(11)3)15(17)20-14(10)16/h5,7,15,17H,6H2,1-4H3" ; chebi:inchikey "CYYPEFYKFZTPFE-UHFFFAOYSA-N" ; chebi:mass "278.301" ; chebi:monoisotopicmass "278.11542" ; chebi:smiles "COc1c2C(O)OC(=O)c2cc(OCC=C(C)C)c1C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10118" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zinnolide" . obo:CHEBI_101180 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C18H23N3O4" ; chebi:inchi "InChI=1S/C18H23N3O4/c22-11-16-15(21-18(24)13-5-7-19-8-6-13)4-3-14(25-16)9-17(23)20-10-12-1-2-12/h3-8,12,14-16,22H,1-2,9-11H2,(H,20,23)(H,21,24)/t14-,15+,16+/m1/s1" ; chebi:inchikey "UGRHUCUWEJLITN-PMPSAXMXSA-N" ; chebi:mass "345.394" ; chebi:monoisotopicmass "345.16886" ; chebi:smiles "C1CC1CNC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101180" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_101181 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H34N2O7S" ; chebi:inchi "InChI=1S/C25H34N2O7S/c1-17-6-9-21(10-7-17)35(30,31)27(19(3)15-28)13-18(2)24(32-5)14-26(4)25(29)20-8-11-22-23(12-20)34-16-33-22/h6-12,18-19,24,28H,13-16H2,1-5H3/t18-,19+,24-/m0/s1" ; chebi:inchikey "XFQUVXMASIHRAZ-GLDPYIMESA-N" ; chebi:mass "506.614" ; chebi:monoisotopicmass "506.20867" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101181" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101182 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H30FN3O5" ; chebi:inchi "InChI=1S/C21H30FN3O5/c22-16-3-1-2-15(10-16)12-23-20(27)11-17-4-5-18(19(14-26)30-17)24-21(28)13-25-6-8-29-9-7-25/h1-3,10,17-19,26H,4-9,11-14H2,(H,23,27)(H,24,28)/t17-,18+,19-/m1/s1" ; chebi:inchikey "ZEQYNXCYKJRRAG-CEXWTWQISA-N" ; chebi:mass "423.479" ; chebi:monoisotopicmass "423.21695" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)NCC2=CC(=CC=C2)F)CO)NC(=O)CN3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101182" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_101183 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31ClN2O6S" ; chebi:inchi "InChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20+,22+,23-/m1/s1" ; chebi:inchikey "JLFHHDVKVXKGLO-DWQJTFDBSA-N" ; chebi:mass "523.043" ; chebi:monoisotopicmass "522.15914" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101183" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_101184 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H26ClN3O5S" ; chebi:inchi "InChI=1S/C21H26ClN3O5S/c22-17-5-1-2-6-20(17)31(28,29)24-11-9-16-7-8-18(19(14-26)30-16)25-21(27)12-15-4-3-10-23-13-15/h1-6,10,13,16,18-19,24,26H,7-9,11-12,14H2,(H,25,27)/t16-,18+,19+/m1/s1" ; chebi:inchikey "WMHOVAQHNBVIPJ-NEWSRXKRSA-N" ; chebi:mass "467.968" ; chebi:monoisotopicmass "467.12817" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNS(=O)(=O)C2=CC=CC=C2Cl)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101184" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_101185 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-16-13-25-17(2)15-33-20-11-10-18(12-19(20)24(28)27(3)14-22(16)32-5)26-34(29,30)23-9-7-6-8-21(23)31-4/h6-12,16-17,22,25-26H,13-15H2,1-5H3/t16-,17-,22+/m1/s1" ; chebi:inchikey "VZMYSNMKMPUTCO-YVHKJVDXSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101185" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101186 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O4" ; chebi:inchi "InChI=1S/C32H46N4O4/c1-23-20-36(18-17-25-11-7-5-8-12-25)24(2)22-40-29-16-15-27(34-32(38)33-26-13-9-6-10-14-26)19-28(29)31(37)35(3)21-30(23)39-4/h5,7-8,11-12,15-16,19,23-24,26,30H,6,9-10,13-14,17-18,20-22H2,1-4H3,(H2,33,34,38)/t23-,24-,30-/m1/s1" ; chebi:inchikey "ONZMGLOOFFOJCP-BOYVUMAVSA-N" ; chebi:mass "550.733" ; chebi:monoisotopicmass "550.35191" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3CCCCC3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101186" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101187 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30N2O7S" ; chebi:inchi "InChI=1S/C25H30N2O7S/c1-32-17-5-7-19(8-6-17)35(30,31)27-16-4-9-22-20(10-16)21-11-18(33-23(14-28)25(21)34-22)12-24(29)26-13-15-2-3-15/h4-10,15,18,21,23,25,27-28H,2-3,11-14H2,1H3,(H,26,29)/t18-,21+,23+,25-/m0/s1" ; chebi:inchikey "UYFCGOQSYKFWAJ-PFJUQGFLSA-N" ; chebi:mass "502.582" ; chebi:monoisotopicmass "502.17737" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101187" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_101188 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C37H46N4O4" ; chebi:inchi "InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26-,32-,33+/m1/s1" ; chebi:inchikey "UJZHWGMAKJZUOC-JRRLLMCYSA-N" ; chebi:mass "610.787" ; chebi:monoisotopicmass "610.35191" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101188" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12557" . obo:CHEBI_101189 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C24H22N2O3" ; chebi:inchi "InChI=1S/C24H22N2O3/c1-29-22-5-3-2-4-17(22)9-6-16-7-10-18(11-8-16)23-20(14-25)26(21(23)15-27)24(28)19-12-13-19/h2-5,7-8,10-11,19-21,23,27H,12-13,15H2,1H3/t20-,21-,23+/m0/s1" ; chebi:inchikey "VFHDDKSZNLSDOB-QNWVGRARSA-N" ; chebi:mass "386.444" ; chebi:monoisotopicmass "386.16304" ; chebi:smiles "COC1=CC=CC=C1C#CC2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)C4CC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101189" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_10119 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24829 ; rdfs:subClassOf obo:CHEBI_26144 ; rdfs:subClassOf obo:CHEBI_36683 ; rdfs:subClassOf obo:CHEBI_55505 . _:b137 rdf:type owl:Restriction . obo:CHEBI_10119 rdfs:subClassOf _:b137 . _:b137 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35471 . _:b138 rdf:type owl:Restriction . obo:CHEBI_10119 rdfs:subClassOf _:b138 . _:b138 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35476 . _:b139 rdf:type owl:Restriction . obo:CHEBI_10119 rdfs:subClassOf _:b139 . _:b139 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_37956 . _:b140 rdf:type owl:Restriction . obo:CHEBI_10119 rdfs:subClassOf _:b140 . _:b140 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_48279 . _:b141 rdf:type owl:Restriction . obo:CHEBI_10119 rdfs:subClassOf _:b141 . _:b141 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_48561 . _:b142 rdf:type owl:Restriction . obo:CHEBI_10119 rdfs:subClassOf _:b142 . _:b142 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_48876 . obo:CHEBI_10119 obo:IAO_0000115 "A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms." ; chebi:charge "0" ; chebi:formula "C21H21ClN4OS" ; chebi:inchi "InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)" ; chebi:inchikey "MVWVFYHBGMAFLY-UHFFFAOYSA-N" ; chebi:mass "412.93600" ; chebi:monoisotopicmass "412.11246" ; chebi:smiles "Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10119" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "ziprasidone" . obo:CHEBI_101190 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27N3O6S" ; chebi:inchi "InChI=1S/C22H27N3O6S/c1-30-17-2-5-19(6-3-17)32(28,29)25-20-7-4-18(31-21(20)15-26)14-22(27)24-13-10-16-8-11-23-12-9-16/h2-9,11-12,18,20-21,25-26H,10,13-15H2,1H3,(H,24,27)/t18-,20-,21-/m0/s1" ; chebi:inchikey "SKMIIEGWSYGYOW-JBACZVJFSA-N" ; chebi:mass "461.533" ; chebi:monoisotopicmass "461.16206" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101190" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101191 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34FN3O6S" ; chebi:inchi "InChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23-,25-,27+/m0/s1" ; chebi:inchikey "PHBUKTREHITDBU-WHTZKJIOSA-N" ; chebi:mass "547.641" ; chebi:monoisotopicmass "547.21524" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101191" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101192 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40F3N3O5S" ; chebi:inchi "InChI=1S/C26H40F3N3O5S/c1-18-13-32(14-20-8-6-5-7-9-20)19(2)16-37-23-11-10-21(30-38(34,35)17-26(27,28)29)12-22(23)25(33)31(3)15-24(18)36-4/h10-12,18-20,24,30H,5-9,13-17H2,1-4H3/t18-,19-,24-/m0/s1" ; chebi:inchikey "IQLGILJFFYEPBE-JXQFQVJHSA-N" ; chebi:mass "563.675" ; chebi:monoisotopicmass "563.26408" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101192" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide" . obo:CHEBI_101193 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H27FN2O4" ; chebi:inchi "InChI=1S/C23H27FN2O4/c1-26(2)16-6-7-20-18(9-16)19-10-17(29-21(13-27)23(19)30-20)11-22(28)25-12-14-4-3-5-15(24)8-14/h3-9,17,19,21,23,27H,10-13H2,1-2H3,(H,25,28)/t17-,19-,21+,23+/m1/s1" ; chebi:inchikey "WXYXTVXIMWIJFY-YZBYQZESSA-N" ; chebi:mass "414.471" ; chebi:monoisotopicmass "414.19549" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101193" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_101194 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32ClFN2O4S" ; chebi:inchi "InChI=1S/C23H32ClFN2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)24)23(31-4)15-26(3)32(29,30)21-11-9-20(25)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18+,23-/m1/s1" ; chebi:inchikey "IVUAVXPBXQRVFC-IEGUWTFLSA-N" ; chebi:mass "487.029" ; chebi:monoisotopicmass "486.17553" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101194" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_101195 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-6-10-28-23(33)29-18-7-8-19-20(12-18)35-15-17(3)31(11-9-24(25,26)27)13-16(2)21(34-5)14-30(4)22(19)32/h7-8,12,16-17,21H,6,9-11,13-15H2,1-5H3,(H2,28,29,33)/t16-,17+,21+/m0/s1" ; chebi:inchikey "VNTQRTFIXZLISU-CSODHUTKSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@@H](CO2)C)CCC(F)(F)F)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101195" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_101196 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O5" ; chebi:inchi "InChI=1S/C27H32N2O5/c30-16-24-26-22(14-20(33-24)15-25(31)28-12-11-17-5-2-1-3-6-17)21-13-19(9-10-23(21)34-26)29-27(32)18-7-4-8-18/h1-3,5-6,9-10,13,18,20,22,24,26,30H,4,7-8,11-12,14-16H2,(H,28,31)(H,29,32)/t20-,22+,24-,26-/m0/s1" ; chebi:inchikey "XBPCNRNKOXKUQA-YXOQKGKWSA-N" ; chebi:mass "464.554" ; chebi:monoisotopicmass "464.23112" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101196" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_101197 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C35H32N2O8" ; chebi:inchi "InChI=1S/C35H32N2O8/c38-19-32-34-28(27-15-23(9-13-29(27)45-34)37-35(40)22-8-12-30-31(14-22)42-20-41-30)16-26(44-32)17-33(39)36-18-21-6-10-25(11-7-21)43-24-4-2-1-3-5-24/h1-15,26,28,32,34,38H,16-20H2,(H,36,39)(H,37,40)/t26-,28-,32+,34+/m0/s1" ; chebi:inchikey "HZYAIKCNCGBDKG-WDLXLEKTSA-N" ; chebi:mass "608.639" ; chebi:monoisotopicmass "608.21587" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=C(C=C6)OC7=CC=CC=C7" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101197" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101198 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C25H29N3O3" ; chebi:inchi "InChI=1S/C25H29N3O3/c1-31-21-13-11-18(12-14-21)17-7-9-19(10-8-17)24-22(15-26)28(23(24)16-29)25(30)27-20-5-3-2-4-6-20/h7-14,20,22-24,29H,2-6,16H2,1H3,(H,27,30)/t22-,23-,24+/m0/s1" ; chebi:inchikey "UEJLJRRJJUOYFY-KMDXXIMOSA-N" ; chebi:mass "419.517" ; chebi:monoisotopicmass "419.22089" ; chebi:smiles "COC1=CC=C(C=C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)NC4CCCCC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101198" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide" . obo:CHEBI_101199 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22-/m0/s1" ; chebi:inchikey "PIYRLUCWZXVSBU-JKSBSHDWSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101199" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_1012 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26388 ; chebi:charge "0" ; chebi:formula "C10H15N6O6P" ; chebi:inchi "InChI=1S/C10H15N6O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1" ; chebi:inchikey "WCNLOVDQFDDWLB-QYYRPYCUSA-N" ; chebi:mass "346.237" ; chebi:monoisotopicmass "346.07907" ; chebi:smiles "N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:1012" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-AminoAMP" . obo:CHEBI_10120 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_61778 ; chebi:charge "0" ; chebi:formula "C51H80O18" ; chebi:inchi "InChI=1S/C51H80O18/c1-23(2)18-28-19-49(11,69-45-41(65-27(6)53)40(64-26(5)52)35(55)25(4)63-45)42-29-12-13-32-47(9)16-15-33(46(7,8)31(47)14-17-48(32,10)50(29)21-51(42,68-28)61-22-50)67-43-38(58)36(56)30(20-60-43)66-44-39(59)37(57)34(54)24(3)62-44/h18,24-25,28-45,54-59H,12-17,19-22H2,1-11H3/t24-,25-,28-,29+,30-,31-,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,47-,48+,49-,50-,51-/m0/s1" ; chebi:inchikey "SPFBVQWRJFUDBB-FYBFSNJASA-N" ; chebi:mass "981.172" ; chebi:monoisotopicmass "980.53447" ; chebi:smiles "C[C@@H]1O[C@@H](O[C@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC[C@@H]4[C@@H]6[C@]7(C[C@@]54CO7)O[C@H](C[C@]6(C)O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)C=C(C)C)C3(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10120" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Ziziphin" . obo:CHEBI_101200 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32ClFN2O4S" ; chebi:inchi "InChI=1S/C23H32ClFN2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)24)23(31-4)15-26(3)32(29,30)21-11-9-20(25)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18+,23-/m0/s1" ; chebi:inchikey "IVUAVXPBXQRVFC-IXFSTUDKSA-N" ; chebi:mass "487.029" ; chebi:monoisotopicmass "486.17553" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101200" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_101201 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H27FN2O6" ; chebi:inchi "InChI=1S/C24H27FN2O6/c1-31-13-23(30)27-15-6-7-20-17(8-15)18-9-16(32-21(12-28)24(18)33-20)10-22(29)26-11-14-4-2-3-5-19(14)25/h2-8,16,18,21,24,28H,9-13H2,1H3,(H,26,29)(H,27,30)/t16-,18+,21-,24-/m1/s1" ; chebi:inchikey "QLCUJBUUXYDXPU-QCHQBCSNSA-N" ; chebi:mass "458.480" ; chebi:monoisotopicmass "458.18531" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101201" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101202 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H39N3O8S" ; chebi:inchi "InChI=1S/C25H39N3O8S/c1-33-20-4-2-5-22(14-20)37(31,32)28-16-19(29)17-35-18-24-23(28)7-6-21(36-24)15-25(30)26-8-3-9-27-10-12-34-13-11-27/h2,4-5,14,19,21,23-24,29H,3,6-13,15-18H2,1H3,(H,26,30)/t19-,21-,23+,24-/m0/s1" ; chebi:inchikey "KOAYSPOFMXWQDS-SJROBZAFSA-N" ; chebi:mass "541.660" ; chebi:monoisotopicmass "541.24579" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCCCN4CCOCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101202" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101203 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C22H29N5O5S" ; chebi:inchi "InChI=1S/C22H29N5O5S/c1-25-14-21(23-16-25)33(30,31)24-19-8-7-18(32-20(19)15-28)13-22(29)27-11-9-26(10-12-27)17-5-3-2-4-6-17/h2-8,14,16,18-20,24,28H,9-13,15H2,1H3/t18-,19-,20+/m0/s1" ; chebi:inchikey "ADNYLXRIKBBTKJ-SLFFLAALSA-N" ; chebi:mass "475.563" ; chebi:monoisotopicmass "475.18894" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)N3CCN(CC3)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101203" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_101204 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H31N3O7S" ; chebi:inchi "InChI=1S/C21H31N3O7S/c1-4-32(27,28)23-14-5-8-18-16(11-14)21(26)24(2)17-7-6-15(31-19(17)13-30-18)12-20(25)22-9-10-29-3/h5,8,11,15,17,19,23H,4,6-7,9-10,12-13H2,1-3H3,(H,22,25)/t15-,17-,19+/m0/s1" ; chebi:inchikey "RVSYYJUWHXUHRD-VDZJLULYSA-N" ; chebi:mass "469.554" ; chebi:monoisotopicmass "469.18827" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@H](O3)CC(=O)NCCOC)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101204" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101205 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c32-17-24-26-22(14-20(35-24)15-25(33)29-9-12-31-10-2-1-3-11-31)21-13-19(6-7-23(21)36-26)30-27(34)18-5-4-8-28-16-18/h4-8,13,16,20,22,24,26,32H,1-3,9-12,14-15,17H2,(H,29,33)(H,30,34)/t20-,22+,24-,26-/m0/s1" ; chebi:inchikey "SWOCEPZEXMNKQZ-YXOQKGKWSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101205" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101206 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-6-9-25(32)29-20-11-12-23-21(14-20)26(33)30(4)16-24(35-5)18(2)15-31(19(3)17-36-23)27(34)22-10-7-8-13-28-22/h7-8,10-14,18-19,24H,6,9,15-17H2,1-5H3,(H,29,32)/t18-,19+,24-/m0/s1" ; chebi:inchikey "ZTXXWNNQGVNFQF-GLDPYIMESA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101206" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101207 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H40N4O4S" ; chebi:inchi "InChI=1S/C33H40N4O4S/c1-33(2,3)42(41)37-20-25-19-27(31(39)34-26-10-7-11-26)35-30(29(25)28(37)16-17-38)24-9-6-8-23(18-24)21-12-14-22(15-13-21)32(40)36(4)5/h6,8-9,12-15,18-19,26,28,38H,7,10-11,16-17,20H2,1-5H3,(H,34,39)/t28-,42-/m0/s1" ; chebi:inchikey "XRIKJANOQKUWJP-PJVIOAIDSA-N" ; chebi:mass "588.762" ; chebi:monoisotopicmass "588.27703" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NC5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101207" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101208 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H43N3O4" ; chebi:inchi "InChI=1S/C28H43N3O4/c32-21-26-25(29-27(33)13-16-30-14-5-2-6-15-30)10-9-24(35-26)20-28(34)31-17-11-23(12-18-31)19-22-7-3-1-4-8-22/h1,3-4,7-8,23-26,32H,2,5-6,9-21H2,(H,29,33)/t24-,25-,26-/m1/s1" ; chebi:inchikey "HBACCIGQRKGJSE-TWJOJJKGSA-N" ; chebi:mass "485.660" ; chebi:monoisotopicmass "485.32536" ; chebi:smiles "C1CCN(CC1)CCC(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101208" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_101209 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H35N3O5" ; chebi:inchi "InChI=1S/C31H35N3O5/c1-34(2)18-30(37)33-23-12-13-27-25(14-23)26-15-24(38-28(19-35)31(26)39-27)16-29(36)32-17-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-14,24,26,28,31,35H,15-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,28-,31+/m1/s1" ; chebi:inchikey "BRDKARYWUSDFKE-GMOQGOKBSA-N" ; chebi:mass "529.628" ; chebi:monoisotopicmass "529.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101209" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_10121 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23449 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-8-20(3)27(35-31(40)28(36(5)6)21(4)9-2)32(41)38-18-15-25-29(38)33(42)37-17-10-11-24(37)30(39)34-16-14-22-12-13-23(44-25)19-26(22)43-7/h12-14,16,19-21,24-25,27-29H,8-11,15,17-18H2,1-7H3,(H,34,39)(H,35,40)/b16-14-/t20-,21-,24-,25-,27-,28-,29-/m0/s1" ; chebi:inchikey "NXCUAFMNFVTKHA-YEEQOOFQSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C)C(=O)N1CC[C@@H]2Oc3ccc(\\C=C/NC(=O)[C@@H]4CCCN4C(=O)[C@@H]12)c(OC)c3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10121" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zizyphine A" . obo:CHEBI_101210 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34FN3O5" ; chebi:inchi "InChI=1S/C27H34FN3O5/c1-6-25(32)29-21-11-12-22-23(13-21)36-16-18(3)31(26(33)19-7-9-20(28)10-8-19)14-17(2)24(35-5)15-30(4)27(22)34/h7-13,17-18,24H,6,14-16H2,1-5H3,(H,29,32)/t17-,18-,24+/m0/s1" ; chebi:inchikey "DLQPGZNWCDDUSB-LLJLJFOGSA-N" ; chebi:mass "499.575" ; chebi:monoisotopicmass "499.24825" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)C(=O)C3=CC=C(C=C3)F)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101210" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-[(4-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_101211 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21-,23+,25-,27-/m1/s1" ; chebi:inchikey "SNGIXDWGPLKZOT-NZAHZBTPSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101211" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101212 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O5" ; chebi:inchi "InChI=1S/C19H32N2O5/c1-20(2)18(23)9-15-7-8-16-17(26-15)12-25-11-14(22)10-21(16)19(24)13-5-3-4-6-13/h13-17,22H,3-12H2,1-2H3/t14-,15-,16+,17-/m0/s1" ; chebi:inchikey "XUIBJKJBLJUMMA-NXOAAHMSSA-N" ; chebi:mass "368.469" ; chebi:monoisotopicmass "368.23112" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2C(=O)C3CCCC3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101212" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_101213 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25+,28-,30+/m1/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-ZQTJCAEQSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101213" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_101214 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C26H28F3N3O6" ; chebi:inchi "InChI=1S/C26H28F3N3O6/c1-32-20-8-7-18(12-23(33)30-14-26(27,28)29)38-22(20)13-37-21-9-6-16(11-19(21)25(32)35)31-24(34)15-4-3-5-17(10-15)36-2/h3-6,9-11,18,20,22H,7-8,12-14H2,1-2H3,(H,30,33)(H,31,34)/t18-,20+,22+/m0/s1" ; chebi:inchikey "RKECGHSSKXUWCJ-CZTZKLFOSA-N" ; chebi:mass "535.513" ; chebi:monoisotopicmass "535.19302" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101214" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide" . obo:CHEBI_101215 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O5" ; chebi:inchi "InChI=1S/C26H31N3O5/c30-15-23-25-21(12-19(33-23)13-24(31)28-17-6-2-1-3-7-17)20-11-18(8-9-22(20)34-25)29-26(32)16-5-4-10-27-14-16/h4-5,8-11,14,17,19,21,23,25,30H,1-3,6-7,12-13,15H2,(H,28,31)(H,29,32)/t19-,21-,23+,25+/m1/s1" ; chebi:inchikey "CCIDSNZUNACLPU-ASASOQJESA-N" ; chebi:mass "465.542" ; chebi:monoisotopicmass "465.22637" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101215" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101216 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H22N2O3S" ; chebi:inchi "InChI=1S/C23H22N2O3S/c1-16-4-2-3-5-22(16)29(27,28)25-20(14-24)23(21(25)15-26)19-12-10-18(11-13-19)9-8-17-6-7-17/h2-5,10-13,17,20-21,23,26H,6-7,15H2,1H3/t20-,21+,23-/m0/s1" ; chebi:inchikey "WYRXOKNMJBDANC-XJUOHMSHSA-N" ; chebi:mass "406.499" ; chebi:monoisotopicmass "406.13511" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2[C@@H]([C@H]([C@@H]2C#N)C3=CC=C(C=C3)C#CC4CC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101216" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-(2-methylphenyl)sulfonyl-2-azetidinecarbonitrile" . obo:CHEBI_101217 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c1-14-2-7-17(8-3-14)28(25,26)21-11-10-16-6-9-18(19(13-23)27-16)22-20(24)12-15-4-5-15/h2-3,7-8,15-16,18-19,21,23H,4-6,9-13H2,1H3,(H,22,24)/t16-,18+,19-/m0/s1" ; chebi:inchikey "VPHPWASIVZFRRJ-UHOSZYNNSA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)CC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101217" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-cyclopropyl-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]acetamide" . obo:CHEBI_101218 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H34FN3O5" ; chebi:inchi "InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18-,24+/m1/s1" ; chebi:inchikey "DMFJOGMIMQDBLX-GGUMNFRJSA-N" ; chebi:mass "475.554" ; chebi:monoisotopicmass "475.24825" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101218" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_101219 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O4" ; chebi:inchi "InChI=1S/C24H38N4O4/c1-16-13-25-17(2)15-32-21-12-19(27-24(30)26-18-8-6-5-7-9-18)10-11-20(21)23(29)28(3)14-22(16)31-4/h10-12,16-18,22,25H,5-9,13-15H2,1-4H3,(H2,26,27,30)/t16-,17-,22-/m1/s1" ; chebi:inchikey "IWXLMTPNFQAQHO-DRSNIGMVSA-N" ; chebi:mass "446.584" ; chebi:monoisotopicmass "446.28931" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3CCCCC3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101219" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_10122 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23449 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-7-19(3)26(34-30(40)27(35(5)6)20(4)8-2)31(41)37-17-14-25-28(37)32(42)36-16-9-10-23(36)29(39)33-15-13-21-11-12-22(43-25)18-24(21)38/h11-13,15,18-20,23,25-28,38H,7-10,14,16-17H2,1-6H3,(H,33,39)(H,34,40)/b15-13-/t19-,20-,23-,25-,26-,27-,28-/m0/s1" ; chebi:inchikey "BRUITOXHBSVJME-IIMYRAIISA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C)C(=O)N1CC[C@@H]2Oc3ccc(\\C=C/NC(=O)[C@@H]4CCCN4C(=O)[C@@H]12)c(O)c3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10122" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zizyphine F" . obo:CHEBI_101220 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H25F2N3O3" ; chebi:inchi "InChI=1S/C23H25F2N3O3/c24-14-7-8-17(25)13(9-14)10-28-19-11-27-18(5-2-6-20(27)30)22(28)21(16(19)12-29)23(31)26-15-3-1-4-15/h2,5-9,15-16,19,21-22,29H,1,3-4,10-12H2,(H,26,31)/t16-,19-,21+,22+/m0/s1" ; chebi:inchikey "GICHBVCHVQBVRX-NTSGDEEZSA-N" ; chebi:mass "429.461" ; chebi:monoisotopicmass "429.18640" ; chebi:smiles "C1CC(C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3CC5=C(C=CC(=C5)F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101220" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12589" . obo:CHEBI_101221 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H36N2O6S" ; chebi:inchi "InChI=1S/C22H36N2O6S/c1-17(21(29-4)15-23(3)22(26)19-10-12-30-13-11-19)14-24(18(2)16-25)31(27,28)20-8-6-5-7-9-20/h5-9,17-19,21,25H,10-16H2,1-4H3/t17-,18+,21-/m1/s1" ; chebi:inchikey "SLHJHGLJXJFOQY-LVCYWYKZSA-N" ; chebi:mass "456.598" ; chebi:monoisotopicmass "456.22941" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101221" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_101222 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O7S" ; chebi:inchi "InChI=1S/C26H32N2O7S/c1-33-18-6-5-7-20(13-18)36(31,32)27-17-8-9-23-21(12-17)22-14-19(34-24(16-29)26(22)35-23)15-25(30)28-10-3-2-4-11-28/h5-9,12-13,19,22,24,26-27,29H,2-4,10-11,14-16H2,1H3/t19-,22+,24-,26-/m1/s1" ; chebi:inchikey "RXCSFWYPJHKPEM-OLTCJGHMSA-N" ; chebi:mass "516.609" ; chebi:monoisotopicmass "516.19302" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101222" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide" . obo:CHEBI_101223 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_9334 ; owl:deprecated true . obo:CHEBI_101224 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25697 ; rdfs:subClassOf obo:CHEBI_35274 . _:b143 rdf:type owl:Restriction . obo:CHEBI_101224 rdfs:subClassOf _:b143 . _:b143 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_101064 . obo:CHEBI_101224 obo:IAO_0000115 "An organic cation obtained by protonation of the tertiary amino group of Ro 48-8071." ; chebi:charge "+1" ; chebi:formula "C23H28BrFNO2" ; chebi:inchi "InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3/p+1" ; chebi:inchikey "CMYCCJYVZIMDFU-UHFFFAOYSA-O" ; chebi:mass "449.377" ; chebi:monoisotopicmass "448.12820" ; chebi:smiles "C(=O)(C1=CC=C(C=C1F)OCCCCCC[NH+](CC=C)C)C=2C=CC(=CC2)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101224" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "Ro 48-8071(1+)" . obo:CHEBI_101225 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H33FN2O5S" ; chebi:inchi "InChI=1S/C24H33FN2O5S/c1-17-10-12-20(13-11-17)33(30,31)27(19(3)16-28)14-18(2)23(32-5)15-26(4)24(29)21-8-6-7-9-22(21)25/h6-13,18-19,23,28H,14-16H2,1-5H3/t18-,19-,23+/m0/s1" ; chebi:inchikey "NDGBDPWBOPYDPZ-SFYKDHMMSA-N" ; chebi:mass "480.595" ; chebi:monoisotopicmass "480.20942" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101225" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2S,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_101226 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O5" ; chebi:inchi "InChI=1S/C27H39N5O5/c1-16-12-32(13-20-7-8-20)17(2)15-36-23-11-21(28-27(34)29-25-18(3)30-37-19(25)4)9-10-22(23)26(33)31(5)14-24(16)35-6/h9-11,16-17,20,24H,7-8,12-15H2,1-6H3,(H2,28,29,34)/t16-,17+,24-/m0/s1" ; chebi:inchikey "BVCIWUWSCCLIPT-SRGWNRLKSA-N" ; chebi:mass "513.630" ; chebi:monoisotopicmass "513.29512" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101226" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6S,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea" . obo:CHEBI_101227 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H30F3N3O5" ; chebi:inchi "InChI=1S/C30H30F3N3O5/c1-17(18-5-3-2-4-6-18)34-27(38)15-22-14-24-23-13-21(11-12-25(23)41-28(24)26(16-37)40-22)36-29(39)35-20-9-7-19(8-10-20)30(31,32)33/h2-13,17,22,24,26,28,37H,14-16H2,1H3,(H,34,38)(H2,35,36,39)/t17-,22+,24+,26+,28-/m0/s1" ; chebi:inchikey "HZCFRKFPOJNJBV-BEYJYYPNSA-N" ; chebi:mass "569.573" ; chebi:monoisotopicmass "569.21376" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101227" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101228 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C30H35FN2O3" ; chebi:inchi "InChI=1S/C30H35FN2O3/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-36-29(21)18-32(3)17-23-9-8-11-25(31)15-23/h4-15,21-22,29,34H,16-20H2,1-3H3/t21-,22-,29-/m0/s1" ; chebi:inchikey "ZIZYGTWNPVBARE-SYZUXVNWSA-N" ; chebi:mass "490.610" ; chebi:monoisotopicmass "490.26317" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101228" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12596" . obo:CHEBI_101229 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H32N4O5S" ; chebi:inchi "InChI=1S/C19H32N4O5S/c1-23-11-19(21-13-23)29(26,27)22-16-8-7-15(28-17(16)12-24)9-18(25)20-10-14-5-3-2-4-6-14/h11,13-17,22,24H,2-10,12H2,1H3,(H,20,25)/t15-,16-,17-/m0/s1" ; chebi:inchikey "VHNINRJVEBHVBF-ULQDDVLXSA-N" ; chebi:mass "428.548" ; chebi:monoisotopicmass "428.20934" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)NCC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101229" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(cyclohexylmethyl)-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_10123 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C20H34O4" ; chebi:inchi "InChI=1S/C20H34O4/c1-15(2)7-9-18(22)16(3)6-5-12-20(4)19(23)10-8-17(11-13-21)14-24-20/h7,11,16,19,21,23H,5-6,8-10,12-14H2,1-4H3/b17-11+/t16-,19-,20+/m1/s1" ; chebi:inchikey "XRDHAXIOHKTIGF-JECBFZOVSA-N" ; chebi:mass "338.482" ; chebi:monoisotopicmass "338.24571" ; chebi:smiles "C[C@H](CCC[C@]1(C)OC\\C(CC[C@H]1O)=C\\CO)C(=O)CC=C(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10123" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zoapatanol" . obo:CHEBI_101230 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H34FN3O5" ; chebi:inchi "InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18+,24-/m1/s1" ; chebi:inchikey "DMFJOGMIMQDBLX-NXMSCROESA-N" ; chebi:mass "475.554" ; chebi:monoisotopicmass "475.24825" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101230" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_101231 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H29FN2O6S" ; chebi:inchi "InChI=1S/C29H29FN2O6S/c30-20-5-8-23(9-6-20)39(35,36)31-21-7-10-26-24(13-21)25-14-22(37-27(17-33)29(25)38-26)15-28(34)32-12-11-18-3-1-2-4-19(18)16-32/h1-10,13,22,25,27,29,31,33H,11-12,14-17H2/t22-,25-,27+,29+/m0/s1" ; chebi:inchikey "RHYJRBPAXZYDBS-RMBZFECLSA-N" ; chebi:mass "552.616" ; chebi:monoisotopicmass "552.17304" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@@H]4[C@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NS(=O)(=O)C6=CC=C(C=C6)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101231" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-fluorobenzenesulfonamide" . obo:CHEBI_101232 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H31N5O5" ; chebi:inchi "InChI=1S/C19H31N5O5/c1-12-18(13(2)29-22-12)21-19(27)20-15-5-4-14(28-16(15)11-25)10-17(26)24-8-6-23(3)7-9-24/h14-16,25H,4-11H2,1-3H3,(H2,20,21,27)/t14-,15+,16-/m1/s1" ; chebi:inchikey "ZKSUBHWMVQQNNI-OWCLPIDISA-N" ; chebi:mass "409.481" ; chebi:monoisotopicmass "409.23252" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CC(=O)N3CCN(CC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101232" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea" . obo:CHEBI_101233 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30N4O5S" ; chebi:inchi "InChI=1S/C21H30N4O5S/c1-16(20(30-4)14-24(3)21(27)19-12-22-10-11-23-19)13-25(17(2)15-26)31(28,29)18-8-6-5-7-9-18/h5-12,16-17,20,26H,13-15H2,1-4H3/t16-,17+,20+/m0/s1" ; chebi:inchikey "RULZJLKRRRCHIA-SQGPQFPESA-N" ; chebi:mass "450.554" ; chebi:monoisotopicmass "450.19369" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101233" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_101234 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26N4O5S" ; chebi:inchi "InChI=1S/C20H26N4O5S/c1-14-3-2-4-16(11-14)30(27,28)24-17-6-5-15(29-19(17)13-25)7-8-23-20(26)18-12-21-9-10-22-18/h2-4,9-12,15,17,19,24-25H,5-8,13H2,1H3,(H,23,26)/t15-,17-,19-/m1/s1" ; chebi:inchikey "LUVVHBIYDBULDN-SZVBFZGTSA-N" ; chebi:mass "434.511" ; chebi:monoisotopicmass "434.16239" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)C3=NC=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101234" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_101235 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F5N3O3" ; chebi:inchi "InChI=1S/C25H32F5N3O3/c1-16(23(36-4)14-32(3)13-18-11-20(26)7-10-22(18)27)12-33(17(2)15-34)24(35)31-21-8-5-19(6-9-21)25(28,29)30/h5-11,16-17,23,34H,12-15H2,1-4H3,(H,31,35)/t16-,17-,23-/m0/s1" ; chebi:inchikey "JTIGHJUHEGWKGG-QQMNAOGKSA-N" ; chebi:mass "517.533" ; chebi:monoisotopicmass "517.23638" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101235" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101236 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O6" ; chebi:inchi "InChI=1S/C24H38N4O6/c1-15(2)25-24(31)28-11-16(3)21(33-7)12-27(5)23(30)19-9-8-18(26-22(29)14-32-6)10-20(19)34-13-17(28)4/h8-10,15-17,21H,11-14H2,1-7H3,(H,25,31)(H,26,29)/t16-,17-,21+/m0/s1" ; chebi:inchikey "AOOMHDUDPOWWMY-XGHQBKJUSA-N" ; chebi:mass "478.583" ; chebi:monoisotopicmass "478.27913" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101236" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6S,9S)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_101237 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O8S" ; chebi:inchi "InChI=1S/C26H32N2O8S/c1-17-2-6-21(7-3-17)37(31,32)28-13-19(29)14-33-15-25-22(28)8-5-20(36-25)11-26(30)27-12-18-4-9-23-24(10-18)35-16-34-23/h2-4,6-7,9-10,19-20,22,25,29H,5,8,11-16H2,1H3,(H,27,30)/t19-,20+,22-,25+/m1/s1" ; chebi:inchikey "HNAQDDNENYJUKU-GFMPLVLUSA-N" ; chebi:mass "532.608" ; chebi:monoisotopicmass "532.18794" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101237" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_101238 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O6" ; chebi:inchi "InChI=1S/C27H32N2O6/c1-33-19-8-5-16(6-9-19)14-28-25(31)13-20-12-22-21-11-18(29-27(32)17-3-2-4-17)7-10-23(21)35-26(22)24(15-30)34-20/h5-11,17,20,22,24,26,30H,2-4,12-15H2,1H3,(H,28,31)(H,29,32)/t20-,22-,24-,26+/m0/s1" ; chebi:inchikey "QQFSWHWRRZLIPD-IFPZXYOKSA-N" ; chebi:mass "480.554" ; chebi:monoisotopicmass "480.22604" ; chebi:smiles "COC1=CC=C(C=C1)CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101238" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_101239 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H33N3O6" ; chebi:inchi "InChI=1S/C26H33N3O6/c1-29(2)14-25(32)28-17-8-9-22-19(10-17)20-11-18(34-23(15-30)26(20)35-22)12-24(31)27-13-16-6-4-5-7-21(16)33-3/h4-10,18,20,23,26,30H,11-15H2,1-3H3,(H,27,31)(H,28,32)/t18-,20-,23-,26+/m0/s1" ; chebi:inchikey "YCZDHCVCWSKGTE-AHNRGXKQSA-N" ; chebi:mass "483.558" ; chebi:monoisotopicmass "483.23694" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=C4OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101239" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_10124 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_27162 ; rdfs:subClassOf obo:CHEBI_55374 . _:b144 rdf:type owl:Restriction . obo:CHEBI_10124 rdfs:subClassOf _:b144 . _:b144 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35472 . _:b145 rdf:type owl:Restriction . obo:CHEBI_10124 rdfs:subClassOf _:b145 . _:b145 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35941 . _:b146 rdf:type owl:Restriction . obo:CHEBI_10124 rdfs:subClassOf _:b146 . _:b146 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50514 . _:b147 rdf:type owl:Restriction . obo:CHEBI_10124 rdfs:subClassOf _:b147 . _:b147 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_28969 . obo:CHEBI_10124 obo:IAO_0000115 "A member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine." ; chebi:charge "0" ; chebi:formula "C16H21N3O2" ; chebi:inchi "InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1" ; chebi:inchikey "ULSDMUVEXKOYBU-ZDUSSCGKSA-N" ; chebi:mass "287.357" ; chebi:monoisotopicmass "287.16338" ; chebi:smiles "C1=C2C(=CNC2=CC=C1C[C@@H]3NC(=O)OC3)CCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10124" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zolmitriptan" . obo:CHEBI_101240 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25FN2O6" ; chebi:inchi "InChI=1S/C24H25FN2O6/c1-27-19-9-8-15(12-22(28)31-2)33-21(19)13-32-20-10-7-14(11-17(20)24(27)30)26-23(29)16-5-3-4-6-18(16)25/h3-7,10-11,15,19,21H,8-9,12-13H2,1-2H3,(H,26,29)/t15-,19-,21+/m1/s1" ; chebi:inchikey "QVBIDJFZXMTPPC-VMRPVKRXSA-N" ; chebi:mass "456.464" ; chebi:monoisotopicmass "456.16966" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101240" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101241 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H26F5N3O5" ; chebi:inchi "InChI=1S/C29H26F5N3O5/c30-17-3-7-23(31)15(9-17)13-35-26(39)12-20-11-22-21-10-19(6-8-24(21)42-27(22)25(14-38)41-20)37-28(40)36-18-4-1-16(2-5-18)29(32,33)34/h1-10,20,22,25,27,38H,11-14H2,(H,35,39)(H2,36,37,40)/t20-,22-,25-,27+/m1/s1" ; chebi:inchikey "ZUHKGHKDCFDVCR-GKYRZQBGSA-N" ; chebi:mass "591.527" ; chebi:monoisotopicmass "591.17926" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101241" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101242 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N5O6" ; chebi:inchi "InChI=1S/C25H33N5O6/c1-16-12-30(23(31)15-34-4)17(2)14-36-21-10-18(28-24(32)20-11-26-8-9-27-20)6-7-19(21)25(33)29(3)13-22(16)35-5/h6-11,16-17,22H,12-15H2,1-5H3,(H,28,32)/t16-,17+,22+/m1/s1" ; chebi:inchikey "CTEQLXWVFDYWAW-JLHGSKIFSA-N" ; chebi:mass "499.560" ; chebi:monoisotopicmass "499.24308" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101242" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_101243 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C25H23N3O3" ; chebi:inchi "InChI=1S/C25H23N3O3/c1-31-21-4-2-3-20(14-21)18-5-7-19(8-6-18)25-22(15-26)28(23(25)16-29)24(30)13-17-9-11-27-12-10-17/h2-12,14,22-23,25,29H,13,16H2,1H3/t22-,23-,25-/m0/s1" ; chebi:inchikey "QYAAHEQVWPVPBC-LSQMVHIFSA-N" ; chebi:mass "413.469" ; chebi:monoisotopicmass "413.17394" ; chebi:smiles "COC1=CC=CC(=C1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@H]3C#N)C(=O)CC4=CC=NC=C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101243" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-4-(hydroxymethyl)-3-[4-(3-methoxyphenyl)phenyl]-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101244 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C12H21NO5" ; chebi:inchi "InChI=1S/C12H21NO5/c1-16-12(15)4-9-2-3-10-11(18-9)7-17-6-8(14)5-13-10/h8-11,13-14H,2-7H2,1H3/t8-,9-,10-,11+/m0/s1" ; chebi:inchikey "FKMAUGDURCCEJG-XWLWVQCSSA-N" ; chebi:mass "259.299" ; chebi:monoisotopicmass "259.14197" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101244" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101245 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H41N3O5" ; chebi:inchi "InChI=1S/C27H41N3O5/c1-18-14-30(15-20-5-6-20)19(2)17-35-24-8-7-22(28-26(31)21-9-11-34-12-10-21)13-23(24)27(32)29(3)16-25(18)33-4/h7-8,13,18-21,25H,5-6,9-12,14-17H2,1-4H3,(H,28,31)/t18-,19+,25-/m0/s1" ; chebi:inchikey "WQZORWGHLUMPIH-CEYNDMKZSA-N" ; chebi:mass "487.633" ; chebi:monoisotopicmass "487.30462" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101245" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_101246 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H27F2N3O4" ; chebi:inchi "InChI=1S/C24H27F2N3O4/c25-17-5-7-19(26)21(11-17)28-24(32)27-20-8-6-18(33-22(20)14-30)12-23(31)29-10-9-15-3-1-2-4-16(15)13-29/h1-5,7,11,18,20,22,30H,6,8-10,12-14H2,(H2,27,28,32)/t18-,20-,22-/m0/s1" ; chebi:inchikey "BOSRLBMZBBTOKS-VCOUNFBDSA-N" ; chebi:mass "459.487" ; chebi:monoisotopicmass "459.19696" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)N2CCC3=CC=CC=C3C2)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101246" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(2R,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]urea" . obo:CHEBI_101247 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-30-21-10-9-19(13-24(31)27-14-16-6-7-16)35-23(21)15-34-22-11-8-18(12-20(22)25(30)32)29-26(33)28-17-4-2-3-5-17/h8,11-12,16-17,19,21,23H,2-7,9-10,13-15H2,1H3,(H,27,31)(H2,28,29,33)/t19-,21+,23+/m1/s1" ; chebi:inchikey "OPKRVFTXMKZUJR-NWSQWKLXSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4CCCC4)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101247" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_101248 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c30-17-23-21(28-25(32)22-16-26-10-11-27-22)7-6-20(33-23)15-24(31)29-12-8-19(9-13-29)14-18-4-2-1-3-5-18/h1-7,10-11,16,19-21,23,30H,8-9,12-15,17H2,(H,28,32)/t20-,21-,23+/m0/s1" ; chebi:inchikey "USGDOGGJJOICMT-QNWVGRARSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "C1CN(CCC1CC2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@@H]([C@H](O3)CO)NC(=O)C4=NC=CN=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101248" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide" . obo:CHEBI_101249 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H25N3O5" ; chebi:inchi "InChI=1S/C22H25N3O5/c1-25(2)20(27)10-15-9-17-16-8-14(24-22(28)13-4-3-7-23-11-13)5-6-18(16)30-21(17)19(12-26)29-15/h3-8,11,15,17,19,21,26H,9-10,12H2,1-2H3,(H,24,28)/t15-,17+,19-,21-/m1/s1" ; chebi:inchikey "IUZUJTQXZTXMFN-UKHYVGRKSA-N" ; chebi:mass "411.452" ; chebi:monoisotopicmass "411.17942" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101249" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_10125 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46908 . _:b148 rdf:type owl:Restriction . obo:CHEBI_10125 rdfs:subClassOf _:b148 . _:b148 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35488 . _:b149 rdf:type owl:Restriction . obo:CHEBI_10125 rdfs:subClassOf _:b149 . _:b149 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35717 . _:b150 rdf:type owl:Restriction . obo:CHEBI_10125 rdfs:subClassOf _:b150 . _:b150 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_51373 . obo:CHEBI_10125 obo:IAO_0000115 "An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position." ; chebi:charge "0" ; chebi:formula "C19H21N3O" ; chebi:inchi "InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3" ; chebi:inchikey "ZAFYATHCZYHLPB-UHFFFAOYSA-N" ; chebi:mass "307.38950" ; chebi:monoisotopicmass "307.16846" ; chebi:smiles "CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10125" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zolpidem" . obo:CHEBI_101250 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N5O5S" ; chebi:inchi "InChI=1S/C24H37N5O5S/c1-7-10-29-12-17(2)22(33-6)13-28(5)24(30)20-9-8-19(11-21(20)34-15-18(29)3)26-35(31,32)23-14-27(4)16-25-23/h8-9,11,14,16-18,22,26H,7,10,12-13,15H2,1-6H3/t17-,18+,22-/m0/s1" ; chebi:inchikey "LWIIWTGMFNHRDM-SVMVAKDDSA-N" ; chebi:mass "507.648" ; chebi:monoisotopicmass "507.25154" ; chebi:smiles "CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101250" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_101251 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O6" ; chebi:inchi "InChI=1S/C27H32N2O6/c1-33-19-8-5-16(6-9-19)14-28-25(31)13-20-12-22-21-11-18(29-27(32)17-3-2-4-17)7-10-23(21)35-26(22)24(15-30)34-20/h5-11,17,20,22,24,26,30H,2-4,12-15H2,1H3,(H,28,31)(H,29,32)/t20-,22+,24-,26-/m0/s1" ; chebi:inchikey "QQFSWHWRRZLIPD-YXOQKGKWSA-N" ; chebi:mass "480.554" ; chebi:monoisotopicmass "480.22604" ; chebi:smiles "COC1=CC=C(C=C1)CNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101251" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_101252 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H32N2O8" ; chebi:inchi "InChI=1S/C28H32N2O8/c31-14-25-27-21(20-10-18(2-4-22(20)38-27)30-28(33)17-5-7-34-8-6-17)11-19(37-25)12-26(32)29-13-16-1-3-23-24(9-16)36-15-35-23/h1-4,9-10,17,19,21,25,27,31H,5-8,11-15H2,(H,29,32)(H,30,33)/t19-,21+,25+,27-/m0/s1" ; chebi:inchikey "MOISLORHFJLABX-UTMJBXDJSA-N" ; chebi:mass "524.563" ; chebi:monoisotopicmass "524.21587" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101252" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101253 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H16FN3O2" ; chebi:inchi "InChI=1S/C18H16FN3O2/c19-13-7-4-8-14(9-13)21-18(24)22-15(10-20)17(16(22)11-23)12-5-2-1-3-6-12/h1-9,15-17,23H,11H2,(H,21,24)/t15-,16+,17-/m1/s1" ; chebi:inchikey "NDKYDEPQZPJKDZ-IXDOHACOSA-N" ; chebi:mass "325.338" ; chebi:monoisotopicmass "325.12265" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2C#N)C(=O)NC3=CC(=CC=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101253" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide" . obo:CHEBI_101254 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H33N3O5S" ; chebi:inchi "InChI=1S/C22H33N3O5S/c1-17-5-8-19(9-6-17)31(28,29)24-20-10-7-18(30-21(20)16-26)15-22(27)23-11-14-25-12-3-2-4-13-25/h5-10,18,20-21,24,26H,2-4,11-16H2,1H3,(H,23,27)/t18-,20-,21-/m0/s1" ; chebi:inchikey "VUOOERVJSWLFKU-JBACZVJFSA-N" ; chebi:mass "451.581" ; chebi:monoisotopicmass "451.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCN3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101254" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101255 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C19H27N3O5" ; chebi:inchi "InChI=1S/C19H27N3O5/c1-21(2)18(24)9-15-3-4-16-17(27-15)12-26-11-14(23)10-22(16)19(25)13-5-7-20-8-6-13/h5-8,14-17,23H,3-4,9-12H2,1-2H3/t14-,15+,16-,17+/m1/s1" ; chebi:inchikey "JDHZCDHPHAWVKT-TWMKSMIVSA-N" ; chebi:mass "377.436" ; chebi:monoisotopicmass "377.19507" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)C3=CC=NC=C3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101255" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_101256 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28794 ; owl:deprecated true . obo:CHEBI_101257 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_21644 ; rdfs:subClassOf obo:CHEBI_22702 ; rdfs:subClassOf obo:CHEBI_24780 ; rdfs:subClassOf obo:CHEBI_25018 ; rdfs:subClassOf obo:CHEBI_25477 ; rdfs:subClassOf obo:CHEBI_48975 ; rdfs:subClassOf obo:CHEBI_50995 ; rdfs:subClassOf obo:CHEBI_64459 . _:b151 rdf:type owl:Restriction . obo:CHEBI_101257 rdfs:subClassOf _:b151 . _:b151 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_67267 . _:b152 rdf:type owl:Restriction . obo:CHEBI_101257 rdfs:subClassOf _:b152 . _:b152 owl:onProperty chebi2:is_conjugate_base_of ; owl:someValuesFrom obo:CHEBI_101333 . obo:CHEBI_101257 obo:IAO_0000115 "An N-acyl-L-amino acid obtained by condensation of the carboxy group of 4-{[(imidazol-4-yl)methyl]amino}-2-(naphthalen-1-yl)benzoic acid with the amino group of L-leucine. An inhibitor of geranylgeranyltransferase type I." ; chebi:charge "0" ; chebi:formula "C27H28N4O3" ; chebi:inchi "InChI=1S/C27H28N4O3/c1-17(2)12-25(27(33)34)31-26(32)23-11-10-19(29-15-20-14-28-16-30-20)13-24(23)22-9-5-7-18-6-3-4-8-21(18)22/h3-11,13-14,16-17,25,29H,12,15H2,1-2H3,(H,28,30)(H,31,32)(H,33,34)/t25-/m0/s1" ; chebi:inchikey "ODTFPKNIFYMEHP-VWLOTQADSA-N" ; chebi:mass "456.537" ; chebi:monoisotopicmass "456.21614" ; chebi:smiles "C([C@H](CC(C)C)NC(=O)C1=C(C=C(C=C1)NCC=2NC=NC2)C=3C4=C(C=CC=C4)C=CC3)(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101257" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "GGTI-2133 free base" . obo:CHEBI_101258 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H31N3O5S" ; chebi:inchi "InChI=1S/C19H31N3O5S/c1-13-10-21(3)14(2)12-27-17-8-7-15(20-28(6,24)25)9-16(17)19(23)22(4)11-18(13)26-5/h7-9,13-14,18,20H,10-12H2,1-6H3/t13-,14-,18-/m1/s1" ; chebi:inchikey "DDFPKKGQTCCPIA-HBUWYVDXSA-N" ; chebi:mass "413.533" ; chebi:monoisotopicmass "413.19844" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101258" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101259 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C19H27N3O5" ; chebi:inchi "InChI=1S/C19H27N3O5/c1-21(2)18(24)9-15-3-4-16-17(27-15)12-26-11-14(23)10-22(16)19(25)13-5-7-20-8-6-13/h5-8,14-17,23H,3-4,9-12H2,1-2H3/t14-,15-,16-,17+/m1/s1" ; chebi:inchikey "JDHZCDHPHAWVKT-VQHPVUNQSA-N" ; chebi:mass "377.436" ; chebi:monoisotopicmass "377.19507" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)C3=CC=NC=C3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101259" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_10126 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50562 . _:b153 rdf:type owl:Restriction . obo:CHEBI_10126 rdfs:subClassOf _:b153 . _:b153 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_10125 . obo:CHEBI_10126 obo:IAO_0000115 "The hemitartrate salt of zolpidem." ; chebi:charge "0" ; chebi:formula "2C19H21N3O.C4H6O6" ; chebi:formula "C42H48N6O8" ; chebi:inchi "InChI=1S/2C19H21N3O.C4H6O6/c2*1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;5-1(3(7)8)2(6)4(9)10/h2*5-10,12H,11H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1" ; chebi:inchikey "VXRDAMSNTXUHFX-CEAXSRTFSA-N" ; chebi:mass "764.86590" ; chebi:monoisotopicmass "764.35336" ; chebi:smiles "O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1.CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10126" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zolpidem tartrate" . obo:CHEBI_101260 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H28F2N2O5" ; chebi:inchi "InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17+,18+,19-/m0/s1" ; chebi:inchikey "LJZGTTWSAOWWCB-MANSERQUSA-N" ; chebi:mass "426.455" ; chebi:monoisotopicmass "426.19663" ; chebi:smiles "CCC(=O)N1C[C@@H](COC[C@H]2[C@H]1CC[C@@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101260" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101261 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H40N4O4S" ; chebi:inchi "InChI=1S/C32H40N4O4S/c1-32(2,3)41(39)36-21-24-20-26(31(38)35-16-14-34(4)15-17-35)33-30(29(24)27(36)13-18-37)23-10-8-9-22(19-23)25-11-6-7-12-28(25)40-5/h6-12,19-20,27,37H,13-18,21H2,1-5H3/t27-,41-/m0/s1" ; chebi:inchikey "XPPDMEIYHITZLE-JNGYJVBXSA-N" ; chebi:mass "576.752" ; chebi:monoisotopicmass "576.27703" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4OC)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101261" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_101262 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H31F3N4O4" ; chebi:inchi "InChI=1S/C25H31F3N4O4/c1-15-12-29-16(2)14-36-21-10-9-19(11-20(21)23(33)32(3)13-22(15)35-4)31-24(34)30-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,29H,12-14H2,1-4H3,(H2,30,31,34)/t15-,16+,22+/m1/s1" ; chebi:inchikey "GXRZKRPKTHFHBM-VVBPWWLESA-N" ; chebi:mass "508.534" ; chebi:monoisotopicmass "508.22974" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101262" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101263 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H25FN2O5" ; chebi:inchi "InChI=1S/C26H25FN2O5/c1-34-17-7-4-6-15(11-17)18-9-10-21-24-23(26(32)33)19(14-30)22(13-29(21)25(18)31)28(24)12-16-5-2-3-8-20(16)27/h2-11,19,22-24,30H,12-14H2,1H3,(H,32,33)/t19-,22-,23+,24+/m1/s1" ; chebi:inchikey "MDNKBVDDURCBLA-JFTIXFDTSA-N" ; chebi:mass "464.486" ; chebi:monoisotopicmass "464.17475" ; chebi:smiles "COC1=CC=CC(=C1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4CC5=CC=CC=C5F)CN3C2=O)CO)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101263" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12630" . obo:CHEBI_101264 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O3S" ; chebi:inchi "InChI=1S/C27H35N3O3S/c1-27(2,3)34(33)30-17-21-16-22(26(32)29(4)5)28-25(24(21)23(30)13-14-31)20-12-8-11-19(15-20)18-9-6-7-10-18/h8-9,11-12,15-16,23,31H,6-7,10,13-14,17H2,1-5H3/t23-,34-/m0/s1" ; chebi:inchikey "PGDAOJJPUPXGSS-HUBRWUETSA-N" ; chebi:mass "481.652" ; chebi:monoisotopicmass "481.23991" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC(=CC=C3)C4=CCCC4)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101264" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101265 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C15H19NO5" ; chebi:inchi "InChI=1S/C15H19NO5/c1-19-14(18)6-9-5-11-10-4-8(16)2-3-12(10)21-15(11)13(7-17)20-9/h2-4,9,11,13,15,17H,5-7,16H2,1H3/t9-,11+,13-,15-/m1/s1" ; chebi:inchikey "HQNYHUFQGPMYGV-VDYMJLGFSA-N" ; chebi:mass "293.316" ; chebi:monoisotopicmass "293.12632" ; chebi:smiles "COC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101265" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-amino-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101266 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H24N2O4" ; chebi:inchi "InChI=1S/C18H24N2O4/c21-11-16-15(20-18(23)12-6-7-12)9-8-14(24-16)10-17(22)19-13-4-2-1-3-5-13/h1-5,12,14-16,21H,6-11H2,(H,19,22)(H,20,23)/t14-,15+,16-/m1/s1" ; chebi:inchikey "SOYBDXBXTZOLGY-OWCLPIDISA-N" ; chebi:mass "332.395" ; chebi:monoisotopicmass "332.17361" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)NC2=CC=CC=C2)CO)NC(=O)C3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101266" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide" . obo:CHEBI_101267 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-9-26(31)28-22-12-13-24-23(14-22)27(32)29(4)17-25(33-5)19(2)15-30(20(3)18-34-24)16-21-10-7-8-11-21/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20-,25+/m0/s1" ; chebi:inchikey "VSOIFNIWZGPCNV-ZYLNGJIFSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101267" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101268 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O6" ; chebi:inchi "InChI=1S/C27H36N4O6/c1-18-14-31(26(33)11-20-7-6-10-28-13-20)19(2)16-37-23-9-8-21(29-25(32)17-35-4)12-22(23)27(34)30(3)15-24(18)36-5/h6-10,12-13,18-19,24H,11,14-17H2,1-5H3,(H,29,32)/t18-,19+,24+/m0/s1" ; chebi:inchikey "JHQFRDYLQMIJCM-XLNZFTOWSA-N" ; chebi:mass "512.599" ; chebi:monoisotopicmass "512.26348" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101268" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101269 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H39N3O5" ; chebi:inchi "InChI=1S/C28H39N3O5/c1-30-18-24-23(34-3)11-10-21(36-24)12-15-35-26-20(17-29)8-7-9-22(26)27(33)31(2)19-28(16-25(30)32)13-5-4-6-14-28/h7-9,21,23-24H,4-6,10-16,18-19H2,1-3H3/t21-,23+,24+/m1/s1" ; chebi:inchikey "NNLRSZHLKPFWRY-NHTMILBNSA-N" ; chebi:mass "497.627" ; chebi:monoisotopicmass "497.28897" ; chebi:smiles "CN1C[C@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(CC4(CCCCC4)CC1=O)C)C#N)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101269" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12636" . obo:CHEBI_10127 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; rdfs:subClassOf obo:CHEBI_51545 . _:b154 rdf:type owl:Restriction . obo:CHEBI_10127 rdfs:subClassOf _:b154 . _:b154 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_22586 . _:b155 rdf:type owl:Restriction . obo:CHEBI_10127 rdfs:subClassOf _:b155 . _:b155 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35470 . _:b156 rdf:type owl:Restriction . obo:CHEBI_10127 rdfs:subClassOf _:b156 . _:b156 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35623 . _:b157 rdf:type owl:Restriction . obo:CHEBI_10127 rdfs:subClassOf _:b157 . _:b157 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50267 . obo:CHEBI_10127 obo:IAO_0000115 "A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position." ; chebi:charge "0" ; chebi:formula "C8H8N2O3S" ; chebi:inchi "InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)" ; chebi:inchikey "UBQNRHZMVUUOMG-UHFFFAOYSA-N" ; chebi:mass "212.22600" ; chebi:monoisotopicmass "212.02556" ; chebi:smiles "NS(=O)(=O)Cc1noc2ccccc12" ; oboInOwl:hasAlternativeId "CHEBI:139857" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10127" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zonisamide" . obo:CHEBI_101270 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H31N5O4" ; chebi:inchi "InChI=1S/C25H31N5O4/c1-28(2)13-21(32)30-20-12-29-19(9-8-17(25(29)34)15-5-4-10-26-11-15)23(30)22(18(20)14-31)24(33)27-16-6-3-7-16/h4-5,8-11,16,18,20,22-23,31H,3,6-7,12-14H2,1-2H3,(H,27,33)/t18-,20-,22+,23+/m0/s1" ; chebi:inchikey "BUXSVEZUKJHFER-NEKRIBJYSA-N" ; chebi:mass "465.546" ; chebi:monoisotopicmass "465.23760" ; chebi:smiles "CN(C)CC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NC5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101270" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12637" . obo:CHEBI_101271 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O5" ; chebi:inchi "InChI=1S/C24H37N3O5/c1-16-11-27(12-18-6-7-18)17(2)14-32-21-10-19(25-23(28)15-30-4)8-9-20(21)24(29)26(3)13-22(16)31-5/h8-10,16-18,22H,6-7,11-15H2,1-5H3,(H,25,28)/t16-,17-,22+/m0/s1" ; chebi:inchikey "MDBZRSBKDCCZHT-PNLZDCPESA-N" ; chebi:mass "447.569" ; chebi:monoisotopicmass "447.27332" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101271" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_101272 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-20-16-33(17-22-6-5-11-30-15-22)21(2)19-38-26-8-7-24(31-28(34)23-9-12-37-13-10-23)14-25(26)29(35)32(3)18-27(20)36-4/h5-8,11,14-15,20-21,23,27H,9-10,12-13,16-19H2,1-4H3,(H,31,34)/t20-,21-,27+/m0/s1" ; chebi:inchikey "WKDBULKSLWTRKP-NOMHHCBYSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101272" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_101273 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H28N2O5" ; chebi:inchi "InChI=1S/C28H28N2O5/c31-19-26-25(30-28(33)21-7-3-1-4-8-21)16-15-24(35-26)17-27(32)29-18-20-11-13-23(14-12-20)34-22-9-5-2-6-10-22/h1-16,24-26,31H,17-19H2,(H,29,32)(H,30,33)/t24-,25+,26-/m0/s1" ; chebi:inchikey "KKHGDJJULHRULI-NXCFDTQHSA-N" ; chebi:mass "472.533" ; chebi:monoisotopicmass "472.19982" ; chebi:smiles "C1=CC=C(C=C1)C(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101273" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_101274 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C24H23F3N2O6" ; chebi:inchi "InChI=1S/C24H23F3N2O6/c1-29-18-7-6-16(11-21(30)31)35-20(18)12-34-19-8-5-15(10-17(19)23(29)33)28-22(32)13-3-2-4-14(9-13)24(25,26)27/h2-5,8-10,16,18,20H,6-7,11-12H2,1H3,(H,28,32)(H,30,31)/t16-,18+,20+/m0/s1" ; chebi:inchikey "MPULVBUDJGIXBK-ILZDJORESA-N" ; chebi:mass "492.445" ; chebi:monoisotopicmass "492.15082" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101274" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_101275 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H38FN3O6S" ; chebi:inchi "InChI=1S/C31H38FN3O6S/c1-21-17-35(18-23-9-6-7-12-28(23)32)22(2)20-41-29-15-24(13-14-27(29)31(36)34(3)19-30(21)40-5)33-42(37,38)26-11-8-10-25(16-26)39-4/h6-16,21-22,30,33H,17-20H2,1-5H3/t21-,22+,30+/m0/s1" ; chebi:inchikey "WUHLCXCEWBJVDE-IABYTQIASA-N" ; chebi:mass "599.716" ; chebi:monoisotopicmass "599.24654" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@H]1OC)C)C)CC4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101275" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzenesulfonamide" . obo:CHEBI_101276 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17-,19+,20-/m0/s1" ; chebi:inchikey "WNHZFTQVONQUSH-UUXHPUJUSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101276" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12643" . obo:CHEBI_101277 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClF2N2O4S" ; chebi:inchi "InChI=1S/C23H31ClF2N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17+,23+/m1/s1" ; chebi:inchikey "UIWWHFNWICLZIF-DGGJZMOXSA-N" ; chebi:mass "505.020" ; chebi:monoisotopicmass "504.16611" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101277" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2R,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101278 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_82814 . _:b158 rdf:type owl:Restriction . obo:CHEBI_101278 rdfs:subClassOf _:b158 . _:b158 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35620 . _:b159 rdf:type owl:Restriction . obo:CHEBI_101278 rdfs:subClassOf _:b159 . _:b159 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35674 . _:b160 rdf:type owl:Restriction . obo:CHEBI_101278 rdfs:subClassOf _:b160 . _:b160 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_38215 . _:b161 rdf:type owl:Restriction . obo:CHEBI_101278 rdfs:subClassOf _:b161 . _:b161 owl:onProperty chebi2:is_conjugate_base_of ; owl:someValuesFrom obo:CHEBI_82812 . _:b162 rdf:type owl:Restriction . obo:CHEBI_101278 rdfs:subClassOf _:b162 . _:b162 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_82813 . obo:CHEBI_101278 obo:IAO_0000115 "A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension." ; chebi:charge "0" ; chebi:formula "C22H26N2O4S" ; chebi:inchi "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1" ; chebi:inchikey "HSUGRBWQSSZJOP-RTWAWAEBSA-N" ; chebi:mass "414.51800" ; chebi:monoisotopicmass "414.16133" ; chebi:smiles "COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O" ; oboInOwl:hasAlternativeId "CHEBI:4602" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101278" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "diltiazem" . obo:CHEBI_101279 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46850 . _:b163 rdf:type owl:Restriction . obo:CHEBI_101279 rdfs:subClassOf _:b163 . _:b163 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_101333 . _:b164 rdf:type owl:Restriction . obo:CHEBI_101279 rdfs:subClassOf _:b164 . _:b164 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_27110 . _:b165 rdf:type owl:Restriction . obo:CHEBI_101279 rdfs:subClassOf _:b165 . _:b165 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_67267 . obo:CHEBI_101279 obo:IAO_0000115 "An organoammonium salt resulting from the mixing of equimolar amounts of GGTI-2133 free base and trifluoroacetic acid. An inhibitor of geranylgeranyltransferase type I." ; chebi:charge "0" ; chebi:formula "C29H29F3N4O5" ; chebi:inchi "InChI=1S/C27H28N4O3.C2HF3O2/c1-17(2)12-25(27(33)34)31-26(32)23-11-10-19(29-15-20-14-28-16-30-20)13-24(23)22-9-5-7-18-6-3-4-8-21(18)22;3-2(4,5)1(6)7/h3-11,13-14,16-17,25,29H,12,15H2,1-2H3,(H,28,30)(H,31,32)(H,33,34);(H,6,7)/t25-;/m0./s1" ; chebi:inchikey "FXXUNOYBYJFSRB-UQIIZPHYSA-N" ; chebi:mass "570.561" ; chebi:monoisotopicmass "570.20900" ; chebi:smiles "C(C([O-])=O)(F)(F)F.C([C@H](CC(C)C)NC(=O)C1=C(C=C(C=C1)[NH2+]CC=2NC=NC2)C=3C4=C(C=CC=C4)C=CC3)(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101279" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "GGTI-2133" . obo:CHEBI_101280 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20+,21+,22+/m0/s1" ; chebi:inchikey "XYLRKRISJMFHFX-HRZDXHFQSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101280" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12646" . obo:CHEBI_101281 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O6" ; chebi:inchi "InChI=1S/C22H29Cl2N3O6/c23-14-7-15(24)9-16(8-14)25-22(30)27-11-17(28)12-32-13-20-19(27)2-1-18(33-20)10-21(29)26-3-5-31-6-4-26/h7-9,17-20,28H,1-6,10-13H2,(H,25,30)/t17-,18-,19-,20+/m0/s1" ; chebi:inchikey "IDLNHXHJUITYBI-LWYYNNOASA-N" ; chebi:mass "502.389" ; chebi:monoisotopicmass "501.14334" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)NC3=CC(=CC(=C3)Cl)Cl)O)O[C@@H]1CC(=O)N4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101281" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101282 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN4O5" ; chebi:inchi "InChI=1S/C21H27FN4O5/c1-12-19(13(2)31-26-12)25-21(29)23-10-9-16-7-8-17(18(11-27)30-16)24-20(28)14-3-5-15(22)6-4-14/h3-6,16-18,27H,7-11H2,1-2H3,(H,24,28)(H2,23,25,29)/t16-,17-,18+/m1/s1" ; chebi:inchikey "VZLRHERICGIZBB-KURKYZTESA-N" ; chebi:mass "434.462" ; chebi:monoisotopicmass "434.19655" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NCC[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101282" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide" . obo:CHEBI_101283 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H44F3N3O5" ; chebi:inchi "InChI=1S/C28H44F3N3O5/c1-19-16-34(20(2)18-35)27(37)23-15-22(32(4)5)10-11-24(23)39-21(3)9-7-8-14-38-25(19)17-33(6)26(36)12-13-28(29,30)31/h10-11,15,19-21,25,35H,7-9,12-14,16-18H2,1-6H3/t19-,20+,21+,25-/m0/s1" ; chebi:inchikey "IUWUHICBQVKRRR-SMTRIPRVSA-N" ; chebi:mass "559.662" ; chebi:monoisotopicmass "559.32331" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101283" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide" . obo:CHEBI_101284 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20+,22-,24+/m1/s1" ; chebi:inchikey "YBRLGVDHYMUGPQ-NKXAJQEDSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CCNC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@H](O3)CC(=O)N[C@H](C)C4=CC=CC=C4)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101284" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101285 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-27-16-7-2-4-14(10-16)12-22-20(25)11-17-8-9-18(19(13-24)28-17)23-21(26)15-5-3-6-15/h2,4,7-10,15,17-19,24H,3,5-6,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18+,19-/m1/s1" ; chebi:inchikey "QDYPPDFKKOAHDR-CEXWTWQISA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3CCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101285" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide" . obo:CHEBI_101286 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-16(2)27-26(33)28-20-10-11-22-21(12-20)25(32)29(5)14-23(34-6)17(3)13-30(18(4)15-35-22)24(31)19-8-7-9-19/h10-12,16-19,23H,7-9,13-15H2,1-6H3,(H2,27,28,33)/t17-,18+,23-/m1/s1" ; chebi:inchikey "FNBLPFIHIJQMKK-IEGUWTFLSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101286" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_101287 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O4" ; chebi:inchi "InChI=1S/C26H36N4O4/c1-6-25(31)28-21-7-8-23-22(13-21)26(32)29(4)16-24(33-5)18(2)14-30(19(3)17-34-23)15-20-9-11-27-12-10-20/h7-13,18-19,24H,6,14-17H2,1-5H3,(H,28,31)/t18-,19+,24-/m1/s1" ; chebi:inchikey "AICRRUIGWBNRBB-YDIMBITNSA-N" ; chebi:mass "468.589" ; chebi:monoisotopicmass "468.27366" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101287" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_101288 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C31H30FN3O7" ; chebi:inchi "InChI=1S/C31H30FN3O7/c1-35-24-9-8-20(14-29(36)33-15-18-6-10-26-27(12-18)41-17-40-26)42-28(24)16-39-25-11-7-19(13-22(25)31(35)38)34-30(37)21-4-2-3-5-23(21)32/h2-7,10-13,20,24,28H,8-9,14-17H2,1H3,(H,33,36)(H,34,37)/t20-,24+,28+/m1/s1" ; chebi:inchikey "GPWYEVCXUJXIOI-COVQPCOOSA-N" ; chebi:mass "575.585" ; chebi:monoisotopicmass "575.20678" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101288" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide" . obo:CHEBI_101289 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21+,22-,27+/m0/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-JLFWUPFSSA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@@H](C)C(C)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101289" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12655" . obo:CHEBI_10129 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33551 ; chebi:charge "0" ; chebi:formula "C19H41NO3S" ; chebi:inchi "InChI=1S/C19H41NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(2,3)18-16-19-24(21,22)23/h4-19H2,1-3H3" ; chebi:inchikey "BHATUINFZWUDIX-UHFFFAOYSA-N" ; chebi:mass "363.601" ; chebi:monoisotopicmass "363.28072" ; chebi:smiles "CCCCCCCCCCCCCC[N+](C)(C)CCCS([O-])(=O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10129" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zwittergent 3-14" . obo:CHEBI_101290 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C28H29FN4O3" ; chebi:inchi "InChI=1S/C28H29FN4O3/c29-20-5-1-3-18(11-20)12-31-27(35)25-22(16-34)24-15-33-23(26(25)32(24)14-17-6-7-17)9-8-21(28(33)36)19-4-2-10-30-13-19/h1-5,8-11,13,17,22,24-26,34H,6-7,12,14-16H2,(H,31,35)/t22-,24-,25+,26+/m0/s1" ; chebi:inchikey "BFDAKIJRIQBPOO-ADXHGGABSA-N" ; chebi:mass "488.554" ; chebi:monoisotopicmass "488.22237" ; chebi:smiles "C1CC1CN2[C@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@@H]2[C@@H]([C@H]3CO)C(=O)NCC6=CC(=CC=C6)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101290" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12656" . obo:CHEBI_101291 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H27N5O3S" ; chebi:inchi "InChI=1S/C25H27N5O3S/c31-14-18-20-12-30-19(4-3-17(25(30)33)16-5-7-26-8-6-16)23(29(20)13-21-27-9-10-34-21)22(18)24(32)28-11-15-1-2-15/h3-10,15,18,20,22-23,31H,1-2,11-14H2,(H,28,32)/t18-,20-,22+,23+/m0/s1" ; chebi:inchikey "HSQWCVQVATZDQW-NEKRIBJYSA-N" ; chebi:mass "477.581" ; chebi:monoisotopicmass "477.18346" ; chebi:smiles "C1CC1CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@H]2N3CC6=NC=CS6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101291" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12657" . obo:CHEBI_101292 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H38N4O5" ; chebi:inchi "InChI=1S/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20-,26-/m0/s1" ; chebi:inchikey "ZWMNFEZEGHFZOH-DYLHXGEVSA-N" ; chebi:mass "522.637" ; chebi:monoisotopicmass "522.28422" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101292" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8R)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea" . obo:CHEBI_101293 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H34F3N3O5S" ; chebi:inchi "InChI=1S/C22H34F3N3O5S/c1-6-34(30,31)26-17-7-8-19-18(11-17)21(29)27(4)13-20(32-5)15(2)12-28(16(3)14-33-19)10-9-22(23,24)25/h7-8,11,15-16,20,26H,6,9-10,12-14H2,1-5H3/t15-,16-,20+/m1/s1" ; chebi:inchikey "QTXSGNVPDCTZEW-QINHECLXSA-N" ; chebi:mass "509.585" ; chebi:monoisotopicmass "509.21713" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CCC(F)(F)F)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101293" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_101294 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-17-14-29(3)18(2)16-35-22-12-11-19(13-20(22)25(31)30(4)15-24(17)34-6)27-26(32)28-21-9-7-8-10-23(21)33-5/h7-13,17-18,24H,14-16H2,1-6H3,(H2,27,28,32)/t17-,18+,24-/m0/s1" ; chebi:inchikey "MQWQDAVBIBJDRV-RHGYRFJNSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101294" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-methoxyphenyl)-3-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101295 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C27H33N3O3" ; chebi:inchi "InChI=1S/C27H33N3O3/c1-2-29-23-17-30-22(14-13-20(26(30)32)12-11-19-9-5-3-6-10-19)25(29)24(21(23)18-31)27(33)28-15-7-4-8-16-28/h3,5-6,9-14,21,23-25,31H,2,4,7-8,15-18H2,1H3/t21-,23-,24+,25+/m1/s1" ; chebi:inchikey "YGSIRKPQRSDRAD-VGCGRUFVSA-N" ; chebi:mass "447.570" ; chebi:monoisotopicmass "447.25219" ; chebi:smiles "CCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101295" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12661" . obo:CHEBI_101296 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H24N2O6" ; chebi:inchi "InChI=1S/C22H24N2O6/c1-28-20(26)11-15-10-17-16-9-14(24-22(27)23-13-5-3-2-4-6-13)7-8-18(16)30-21(17)19(12-25)29-15/h2-9,15,17,19,21,25H,10-12H2,1H3,(H2,23,24,27)/t15-,17+,19-,21-/m1/s1" ; chebi:inchikey "BVQWYDMOVFWUGX-UKHYVGRKSA-N" ; chebi:mass "412.437" ; chebi:monoisotopicmass "412.16344" ; chebi:smiles "COC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101296" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101297 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H35N3O4" ; chebi:inchi "InChI=1S/C30H35N3O4/c1-20-17-31-21(2)19-37-27-16-25(14-15-26(27)30(35)33(3)18-28(20)36-4)32-29(34)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-16,20-21,28,31H,17-19H2,1-4H3,(H,32,34)/t20-,21+,28+/m1/s1" ; chebi:inchikey "HAJBOXZNCGYLAF-GGJMMHKRSA-N" ; chebi:mass "501.618" ; chebi:monoisotopicmass "501.26276" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101297" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenylbenzamide" . obo:CHEBI_101298 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c1-32-24-8-7-22(16-27(33)30-19-4-3-5-21(14-19)36-2)39-26(24)17-38-25-9-6-20(15-23(25)29(32)35)31-28(34)18-10-12-37-13-11-18/h3-6,9,14-15,18,22,24,26H,7-8,10-13,16-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,24+,26-/m0/s1" ; chebi:inchikey "VRPVHEJOGHTQDQ-FBILRYNDSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101298" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_101299 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C26H29N5O4" ; chebi:inchi "InChI=1S/C26H29N5O4/c32-14-21-20-13-30-22(5-4-19(25(30)33)17-6-8-27-9-7-17)23(20)31(12-18-15-35-16-28-18)24(21)26(34)29-10-2-1-3-11-29/h4-9,15-16,20-21,23-24,32H,1-3,10-14H2/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "KRPKJWJGWXBFEA-ZQRMPTRQSA-N" ; chebi:mass "475.541" ; chebi:monoisotopicmass "475.22195" ; chebi:smiles "C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@@H]3N2CC6=COC=N6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101299" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-(4-oxazolylmethyl)-2-[oxo(1-piperidinyl)methyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_1013 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17123 ; owl:deprecated true . obo:CHEBI_10130 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22315 ; chebi:charge "0" ; chebi:formula "C27H43NO7" ; chebi:inchi "InChI=1S/C27H43NO7/c1-13-4-7-18-24(3,32)20-14(12-28(18)11-13)15-10-25-17(26(15,33)22(31)21(20)30)6-5-16-23(25,2)9-8-19(29)27(16,34)35-25/h13-22,29-34H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1" ; chebi:inchikey "NPNDUIMQBJIGQS-IDFKWMMPSA-N" ; chebi:mass "493.634" ; chebi:monoisotopicmass "493.30395" ; chebi:smiles "C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@@]45O[C@@]6(O)[C@@H](CC[C@H]4[C@]3(O)[C@@H](O)[C@H](O)[C@@H]1[C@]2(C)O)[C@]5(C)CC[C@@H]6O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10130" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zygadenine" . obo:CHEBI_101300 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H37N3O5S" ; chebi:inchi "InChI=1S/C26H37N3O5S/c1-6-14-29-16-19(2)25(33-5)17-28(4)26(30)23-15-21(12-13-24(23)34-18-20(29)3)27-35(31,32)22-10-8-7-9-11-22/h7-13,15,19-20,25,27H,6,14,16-18H2,1-5H3/t19-,20+,25+/m1/s1" ; chebi:inchikey "HWYKCLATECFWDF-RNHFSVANSA-N" ; chebi:mass "503.656" ; chebi:monoisotopicmass "503.24539" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101300" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101301 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H23FN2O4" ; chebi:inchi "InChI=1S/C25H23FN2O4/c26-20-9-5-4-8-16(20)12-28-22-18(19(14-29)23(28)25(31)32)13-27-21(22)11-10-17(24(27)30)15-6-2-1-3-7-15/h1-11,18-19,22-23,29H,12-14H2,(H,31,32)/t18-,19-,22+,23-/m0/s1" ; chebi:inchikey "CTVHZJUSZJAUDM-LBVMUVSTSA-N" ; chebi:mass "434.460" ; chebi:monoisotopicmass "434.16419" ; chebi:smiles "C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=C(C(=O)N31)C4=CC=CC=C4)CC5=CC=CC=C5F)C(=O)O)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101301" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid" . obo:CHEBI_101302 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H31N5O5" ; chebi:inchi "InChI=1S/C19H31N5O5/c1-12-18(13(2)29-22-12)21-19(27)20-15-5-4-14(28-16(15)11-25)10-17(26)24-8-6-23(3)7-9-24/h14-16,25H,4-11H2,1-3H3,(H2,20,21,27)/t14-,15+,16+/m0/s1" ; chebi:inchikey "ZKSUBHWMVQQNNI-ARFHVFGLSA-N" ; chebi:mass "409.481" ; chebi:monoisotopicmass "409.23252" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCN(CC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101302" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea" . obo:CHEBI_101303 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H29N3O3" ; chebi:inchi "InChI=1S/C28H29N3O3/c1-29-25-22(16-31-24(25)12-11-21(27(31)33)19-8-3-2-4-9-19)23(17-32)26(29)28(34)30-14-13-18-7-5-6-10-20(18)15-30/h2-12,22-23,25-26,32H,13-17H2,1H3/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "YSTNLTHHZDJVRS-LJCOXQHRSA-N" ; chebi:mass "455.549" ; chebi:monoisotopicmass "455.22089" ; chebi:smiles "CN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4)[C@@H]([C@H]1C(=O)N5CCC6=CC=CC=C6C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101303" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-1-methyl-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_101304 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C24H30N4O3" ; chebi:inchi "InChI=1S/C24H30N4O3/c1-2-11-27-21-18(19(14-29)22(27)23(30)26-16-6-3-7-16)13-28-20(21)9-8-17(24(28)31)15-5-4-10-25-12-15/h4-5,8-10,12,16,18-19,21-22,29H,2-3,6-7,11,13-14H2,1H3,(H,26,30)/t18-,19-,21+,22-/m1/s1" ; chebi:inchikey "FSWHIZWXGPVXBM-KRXUUXHPSA-N" ; chebi:mass "422.521" ; chebi:monoisotopicmass "422.23179" ; chebi:smiles "CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CN=CC=C4)[C@H]([C@@H]1C(=O)NC5CCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101304" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-cyclobutyl-3-(hydroxymethyl)-6-oxo-1-propyl-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101305 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H39N3O7S" ; chebi:inchi "InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23-,25+,27-,28+/m1/s1" ; chebi:inchikey "IXXIZSABFJAVRH-LXKKXDFRSA-N" ; chebi:mass "573.703" ; chebi:monoisotopicmass "573.25087" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101305" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_101306 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H30FN3O4S2" ; chebi:inchi "InChI=1S/C20H30FN3O4S2/c1-15(19(28-4)12-23(3)13-20-22-9-10-29-20)11-24(16(2)14-25)30(26,27)18-7-5-17(21)6-8-18/h5-10,15-16,19,25H,11-14H2,1-4H3/t15-,16+,19+/m1/s1" ; chebi:inchikey "HDBUQVYPKWOJFH-GJYPPUQNSA-N" ; chebi:mass "459.601" ; chebi:monoisotopicmass "459.16618" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)CC2=NC=CS2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101306" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide" . obo:CHEBI_101307 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31F3N4O5S2" ; chebi:inchi "InChI=1S/C23H31F3N4O5S2/c1-15-10-30(12-21-27-7-8-36-21)16(2)13-35-19-6-5-17(28-37(32,33)14-23(24,25)26)9-18(19)22(31)29(3)11-20(15)34-4/h5-9,15-16,20,28H,10-14H2,1-4H3/t15-,16+,20+/m1/s1" ; chebi:inchikey "CQZVRHUHRGDROH-GUXCAODWSA-N" ; chebi:mass "564.644" ; chebi:monoisotopicmass "564.16880" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101307" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_101308 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-19(24)12-21)22(32-4)14-25(3)33(28,29)20-10-8-18(23)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22-/m1/s1" ; chebi:inchikey "JTCZGLOUSBJUER-HYFFOGBASA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101308" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101309 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H35N3O6S" ; chebi:inchi "InChI=1S/C29H35N3O6S/c1-20-17-30-21(2)19-37-27-16-22(10-15-26(27)29(33)32(3)18-28(20)36-4)31-39(34,35)25-13-11-24(12-14-25)38-23-8-6-5-7-9-23/h5-16,20-21,28,30-31H,17-19H2,1-4H3/t20-,21+,28+/m0/s1" ; chebi:inchikey "NZYQBFQVYSNMPI-BALWLHIASA-N" ; chebi:mass "553.672" ; chebi:monoisotopicmass "553.22466" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101309" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenoxybenzenesulfonamide" . obo:CHEBI_10131 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18252 ; owl:deprecated true . obo:CHEBI_101310 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C23H26N2O6S" ; chebi:inchi "InChI=1S/C23H26N2O6S/c1-25-18-7-6-15(11-22(27)29-2)31-20(18)13-30-19-8-5-14(10-17(19)23(25)28)24-21(26)12-16-4-3-9-32-16/h3-5,8-10,15,18,20H,6-7,11-13H2,1-2H3,(H,24,26)/t15-,18+,20+/m0/s1" ; chebi:inchikey "VIAXYKVUXVILCJ-QKYXUNIQSA-N" ; chebi:mass "458.529" ; chebi:monoisotopicmass "458.15116" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101310" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101311 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23+,25+,26-/m0/s1" ; chebi:inchikey "DIIJYNJFSHJSFY-JMQONQOQSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "CN1C[C@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101311" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12677" . obo:CHEBI_101312 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H18N2O3S" ; chebi:inchi "InChI=1S/C18H18N2O3S/c19-11-16-18(15-9-5-2-6-10-15)17(12-21)20(16)24(22,23)13-14-7-3-1-4-8-14/h1-10,16-18,21H,12-13H2/t16-,17+,18+/m0/s1" ; chebi:inchikey "SEDZELNMUHOWSZ-RCCFBDPRSA-N" ; chebi:mass "342.414" ; chebi:monoisotopicmass "342.10381" ; chebi:smiles "C1=CC=C(C=C1)CS(=O)(=O)N2[C@@H]([C@@H]([C@@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101312" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile" . obo:CHEBI_101313 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN2O6S2" ; chebi:inchi "InChI=1S/C21H27FN2O6S2/c22-17-6-9-19(10-7-17)32(28,29)24-20-11-8-18(30-21(20)14-25)12-13-23-31(26,27)15-16-4-2-1-3-5-16/h1-7,9-10,18,20-21,23-25H,8,11-15H2/t18-,20+,21-/m0/s1" ; chebi:inchikey "ZTKNNPSVJPUDLJ-TYPHKJRUSA-N" ; chebi:mass "486.580" ; chebi:monoisotopicmass "486.12946" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101313" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_101314 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C31H36N2O5" ; chebi:inchi "InChI=1S/C31H36N2O5/c1-21-15-33(22(2)18-34)31(35)27-11-7-6-10-26(27)25-9-5-4-8-24(25)19-36-30(21)17-32(3)16-23-12-13-28-29(14-23)38-20-37-28/h4-14,21-22,30,34H,15-20H2,1-3H3/t21-,22-,30-/m0/s1" ; chebi:inchikey "VTMUWCMJICVSQX-PWWNZBMUSA-N" ; chebi:mass "516.629" ; chebi:monoisotopicmass "516.26242" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101314" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12680" . obo:CHEBI_101315 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c28-21-8-4-5-9-22(21)31-27(34)30-17-10-11-23-19(12-17)20-13-18(35-24(15-32)26(20)36-23)14-25(33)29-16-6-2-1-3-7-16/h4-5,8-12,16,18,20,24,26,32H,1-3,6-7,13-15H2,(H,29,33)(H2,30,31,34)/t18-,20+,24+,26-/m1/s1" ; chebi:inchikey "GAKFIKLLFOVZGV-SNXCTZGFSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101315" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_101316 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-19(24)12-21)22(32-4)14-25(3)33(28,29)20-10-8-18(23)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22+/m1/s1" ; chebi:inchikey "JTCZGLOUSBJUER-JLHGSKIFSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101316" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101317 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O5" ; chebi:inchi "InChI=1S/C24H30N2O5/c1-26(2)16-8-9-21-18(10-16)19-11-17(30-22(14-27)24(19)31-21)12-23(28)25-13-15-6-4-5-7-20(15)29-3/h4-10,17,19,22,24,27H,11-14H2,1-3H3,(H,25,28)/t17-,19+,22-,24-/m1/s1" ; chebi:inchikey "YXRWVZTUBKEEPU-KSZDXEJVSA-N" ; chebi:mass "426.506" ; chebi:monoisotopicmass "426.21547" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=C4OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101317" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101318 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25+,28-,30-/m1/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-DZRWVVDBSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101318" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_101319 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C25H37N5O4" ; chebi:inchi "InChI=1S/C25H37N5O4/c1-33-20-7-5-19(6-8-20)23-17-30(28-27-23)16-11-21-9-10-22(24(18-31)34-21)26-25(32)12-15-29-13-3-2-4-14-29/h5-8,17,21-22,24,31H,2-4,9-16,18H2,1H3,(H,26,32)/t21-,22+,24+/m1/s1" ; chebi:inchikey "CTEVGNUGMCZMIF-GPXNEJASSA-N" ; chebi:mass "471.593" ; chebi:monoisotopicmass "471.28455" ; chebi:smiles "COC1=CC=C(C=C1)C2=CN(N=N2)CC[C@H]3CC[C@@H]([C@@H](O3)CO)NC(=O)CCN4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101319" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_101320 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H24N2O7" ; chebi:inchi "InChI=1S/C22H24N2O7/c1-29-14-5-2-12(3-6-14)23-22(28)24-13-4-7-18-16(8-13)17-9-15(10-20(26)27)30-19(11-25)21(17)31-18/h2-8,15,17,19,21,25H,9-11H2,1H3,(H,26,27)(H2,23,24,28)/t15-,17+,19+,21-/m1/s1" ; chebi:inchikey "WGYNXZDTDZWEBG-ZWVMGRIOSA-N" ; chebi:mass "428.436" ; chebi:monoisotopicmass "428.15835" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101320" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_101321 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H15FN2O2" ; chebi:inchi "InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16-,17+/m0/s1" ; chebi:inchikey "BPKNALSRVQDTLI-YESZJQIVSA-N" ; chebi:mass "310.323" ; chebi:monoisotopicmass "310.11176" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)C(=O)C3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101321" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_101322 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H23N3O3" ; chebi:inchi "InChI=1S/C21H23N3O3/c25-11-16-15-10-24-17(6-3-7-18(24)26)19(15)23-20(16)21(27)22-14-8-12-4-1-2-5-13(12)9-14/h1-7,14-16,19-20,23,25H,8-11H2,(H,22,27)/t15-,16-,19+,20-/m1/s1" ; chebi:inchikey "WRJPWVKEXURTAG-YAJHFMINSA-N" ; chebi:mass "365.426" ; chebi:monoisotopicmass "365.17394" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H](N[C@@H]2C3=CC=CC(=O)N31)C(=O)NC4CC5=CC=CC=C5C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101322" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101323 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C15H19NO5" ; chebi:inchi "InChI=1S/C15H19NO5/c1-19-14(18)6-9-5-11-10-4-8(16)2-3-12(10)21-15(11)13(7-17)20-9/h2-4,9,11,13,15,17H,5-7,16H2,1H3/t9-,11-,13+,15+/m1/s1" ; chebi:inchikey "HQNYHUFQGPMYGV-RNKJKDHYSA-N" ; chebi:mass "293.316" ; chebi:monoisotopicmass "293.12632" ; chebi:smiles "COC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101323" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-amino-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101324 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H32N2O7" ; chebi:inchi "InChI=1S/C28H32N2O7/c31-14-25-27-21(12-19(36-25)13-26(32)29-17-4-2-1-3-5-17)20-11-18(7-9-22(20)37-27)30-28(33)16-6-8-23-24(10-16)35-15-34-23/h6-11,17,19,21,25,27,31H,1-5,12-15H2,(H,29,32)(H,30,33)/t19-,21+,25+,27-/m1/s1" ; chebi:inchikey "VAJXXPPWCPTEHE-ZPNKKQCCSA-N" ; chebi:mass "508.564" ; chebi:monoisotopicmass "508.22095" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101324" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101325 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H33N3O7S" ; chebi:inchi "InChI=1S/C21H33N3O7S/c1-14-10-24(20(25)13-29-4)15(2)12-31-18-9-16(22-32(6,27)28)7-8-17(18)21(26)23(3)11-19(14)30-5/h7-9,14-15,19,22H,10-13H2,1-6H3/t14-,15-,19+/m1/s1" ; chebi:inchikey "ALCDIEWMKTXBKO-CLCXKQKWSA-N" ; chebi:mass "471.570" ; chebi:monoisotopicmass "471.20392" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101325" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101326 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H35N3O5" ; chebi:inchi "InChI=1S/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20-,22+,24+/m1/s1" ; chebi:inchikey "GFIPGJIGSRXJBU-NROSNUSPSA-N" ; chebi:mass "457.563" ; chebi:monoisotopicmass "457.25767" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101326" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea" . obo:CHEBI_101327 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H26F2N2O7" ; chebi:inchi "InChI=1S/C29H26F2N2O7/c30-17-2-4-22(31)16(7-17)12-32-27(35)11-19-10-21-20-9-18(3-6-23(20)40-28(21)26(13-34)39-19)33-29(36)15-1-5-24-25(8-15)38-14-37-24/h1-9,19,21,26,28,34H,10-14H2,(H,32,35)(H,33,36)/t19-,21-,26-,28+/m1/s1" ; chebi:inchikey "JRAPIMFHFBSUKE-ACEAMVEQSA-N" ; chebi:mass "552.524" ; chebi:monoisotopicmass "552.17081" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=C(C=CC(=C6)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101327" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101328 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31N5O5" ; chebi:inchi "InChI=1S/C24H31N5O5/c1-15-12-29(24(32)20-11-25-8-9-26-20)16(2)14-34-21-7-6-18(27-17(3)30)10-19(21)23(31)28(4)13-22(15)33-5/h6-11,15-16,22H,12-14H2,1-5H3,(H,27,30)/t15-,16-,22+/m0/s1" ; chebi:inchikey "PQYPJTAQDSWLTB-PONJGIIJSA-N" ; chebi:mass "469.534" ; chebi:monoisotopicmass "469.23252" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=NC=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101328" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101329 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S" ; chebi:inchi "InChI=1S/C27H36N2O6S/c1-34-22-7-10-24(11-8-22)36(32,33)28-25-12-9-23(35-26(25)19-30)18-27(31)29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-8,10-11,21,23,25-26,28,30H,9,12-19H2,1H3/t23-,25-,26+/m0/s1" ; chebi:inchikey "JXWMWOXWMMUZLT-AYRHNUGRSA-N" ; chebi:mass "516.652" ; chebi:monoisotopicmass "516.22941" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101329" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide" . obo:CHEBI_101330 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H21FN2O2" ; chebi:inchi "InChI=1S/C23H21FN2O2/c1-15(2)6-7-16-8-10-17(11-9-16)22-20(13-25)26(21(22)14-27)23(28)18-4-3-5-19(24)12-18/h3-5,8-12,15,20-22,27H,14H2,1-2H3/t20-,21+,22-/m1/s1" ; chebi:inchikey "DGEMMPDKDCWCNC-BHIFYINESA-N" ; chebi:mass "376.424" ; chebi:monoisotopicmass "376.15871" ; chebi:smiles "CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2C#N)C(=O)C3=CC(=CC=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101330" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_101331 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C33H44N4O3S" ; chebi:inchi "InChI=1S/C33H44N4O3S/c1-33(2,3)41(40)37-23-27-22-28(32(39)36-18-16-35(4)17-19-36)34-31(30(27)29(37)15-20-38)26-14-8-13-25(21-26)12-7-11-24-9-5-6-10-24/h8,13-14,21-22,24,29,38H,5-6,9-11,15-20,23H2,1-4H3/t29-,41?/m0/s1" ; chebi:inchikey "LIWWQJPEXSZFEM-XLSVDPLXSA-N" ; chebi:mass "576.795" ; chebi:monoisotopicmass "576.31341" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C#CCC4CCCC4)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101331" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-tert-butylsulfinyl-4-[3-(3-cyclopentylprop-1-ynyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_101332 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_643228 ; owl:deprecated true . obo:CHEBI_101333 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25697 ; rdfs:subClassOf obo:CHEBI_35274 . _:b166 rdf:type owl:Restriction . obo:CHEBI_101333 rdfs:subClassOf _:b166 . _:b166 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_101257 . obo:CHEBI_101333 obo:IAO_0000115 "An organic cation obtained by protonation of GGTI-2133 free base." ; chebi:charge "+1" ; chebi:formula "C27H29N4O3" ; chebi:inchi "InChI=1S/C27H28N4O3/c1-17(2)12-25(27(33)34)31-26(32)23-11-10-19(29-15-20-14-28-16-30-20)13-24(23)22-9-5-7-18-6-3-4-8-21(18)22/h3-11,13-14,16-17,25,29H,12,15H2,1-2H3,(H,28,30)(H,31,32)(H,33,34)/p+1/t25-/m0/s1" ; chebi:inchikey "ODTFPKNIFYMEHP-VWLOTQADSA-O" ; chebi:mass "457.545" ; chebi:monoisotopicmass "457.22342" ; chebi:smiles "C([C@H](CC(C)C)NC(=O)C1=C(C=C(C=C1)[NH2+]CC=2NC=NC2)C=3C4=C(C=CC=C4)C=CC3)(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101333" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "GGTI-2133 free base(1+)" . obo:CHEBI_101334 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H33Cl2N3O3" ; chebi:inchi "InChI=1S/C24H33Cl2N3O3/c1-17(13-29(18(2)16-30)14-19-7-5-6-8-22(19)26)23(32-4)15-28(3)24(31)27-21-11-9-20(25)10-12-21/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,27,31)/t17-,18+,23-/m1/s1" ; chebi:inchikey "REZGKQRSIIUNQT-IEGUWTFLSA-N" ; chebi:mass "482.444" ; chebi:monoisotopicmass "481.18990" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101334" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-chlorophenyl)-1-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methylurea" . obo:CHEBI_101335 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-16(2)27-26(33)28-20-10-11-22-21(12-20)25(32)29(5)14-23(34-6)17(3)13-30(18(4)15-35-22)24(31)19-8-7-9-19/h10-12,16-19,23H,7-9,13-15H2,1-6H3,(H2,27,28,33)/t17-,18-,23+/m0/s1" ; chebi:inchikey "FNBLPFIHIJQMKK-IUKKYPGJSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101335" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_101336 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H34N4O6S" ; chebi:inchi "InChI=1S/C23H34N4O6S/c1-4-34(30,31)24-16-5-8-20-18(13-16)23(29)26(3)19-7-6-17(33-21(19)15-32-20)14-22(28)27-11-9-25(2)10-12-27/h5,8,13,17,19,21,24H,4,6-7,9-12,14-15H2,1-3H3/t17-,19-,21-/m1/s1" ; chebi:inchikey "RRCKKFPVDDPSKT-YFVAEKQCSA-N" ; chebi:mass "494.606" ; chebi:monoisotopicmass "494.21991" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@@H](O3)CC(=O)N4CCN(CC4)C)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101336" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]ethanesulfonamide" . obo:CHEBI_101337 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C28H37N3O7S" ; chebi:inchi "InChI=1S/C28H37N3O7S/c1-36-23-8-5-9-25(16-23)39(34,35)31-18-22(32)19-37-20-27-26(31)11-10-24(38-27)17-28(33)30-14-12-29(13-15-30)21-6-3-2-4-7-21/h2-9,16,22,24,26-27,32H,10-15,17-20H2,1H3/t22-,24-,26+,27-/m0/s1" ; chebi:inchikey "JIBJCGLYXNSLDN-IGSOQLKZSA-N" ; chebi:mass "559.676" ; chebi:monoisotopicmass "559.23522" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101337" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_101338 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34F3N3O4" ; chebi:inchi "InChI=1S/C24H34F3N3O4/c1-15-12-30(10-9-24(25,26)27)16(2)14-34-20-8-7-18(28-22(31)17-5-6-17)11-19(20)23(32)29(3)13-21(15)33-4/h7-8,11,15-17,21H,5-6,9-10,12-14H2,1-4H3,(H,28,31)/t15-,16+,21-/m0/s1" ; chebi:inchikey "LPOPNFSKLDAMKV-MRUHUIDDSA-N" ; chebi:mass "485.541" ; chebi:monoisotopicmass "485.25014" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101338" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101339 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5S" ; chebi:inchi "InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-14-7-8-15-28(27)35(31)4)26-13-6-5-10-23(26)20-41-29(21)18-34(3)42(39,40)25-12-9-11-24(33)16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22+,29+/m0/s1" ; chebi:inchikey "QBEIQJOXWRLXRW-DKGMKSHISA-N" ; chebi:mass "593.711" ; chebi:monoisotopicmass "593.23597" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101339" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12704" . obo:CHEBI_101340 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33FN2O5S" ; chebi:inchi "InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-37-27(20)17-31(3)38(35,36)28-15-9-8-14-26(28)30/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21-,27-/m0/s1" ; chebi:inchikey "QWRJLEHIBFFHOL-IZVMNLJQSA-N" ; chebi:mass "540.648" ; chebi:monoisotopicmass "540.20942" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101340" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12705" . obo:CHEBI_101341 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(18(3)31)17(2)15-35-23-11-10-19(28-25(32)20-8-6-7-9-22(20)27)12-21(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,32)/t16-,17+,24+/m0/s1" ; chebi:inchikey "MJQDMCPXEXXQJL-OBWXTZQISA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101341" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide" . obo:CHEBI_101342 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H35N5O3S" ; chebi:inchi "InChI=1S/C34H35N5O3S/c1-34(2,3)43(42)39-22-28-20-29(33(41)37-16-12-23-10-14-36-15-11-23)38-32(31(28)30(39)13-17-40)27-9-5-8-26(19-27)25-7-4-6-24(18-25)21-35/h4-11,14-15,18-20,30,40H,12-13,16-17,22H2,1-3H3,(H,37,41)/t30-,43-/m1/s1" ; chebi:inchikey "VJIZUSRNHDZCJF-QHKNHCAJSA-N" ; chebi:mass "593.741" ; chebi:monoisotopicmass "593.24606" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101342" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101343 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C28H30FN5O5" ; chebi:inchi "InChI=1S/C28H30FN5O5/c1-16-22(14-33(2)32-16)31-26(35)13-20-8-9-23-25(39-20)15-38-24-10-7-19(12-21(24)28(37)34(23)3)30-27(36)17-5-4-6-18(29)11-17/h4-7,10-12,14,20,23,25H,8-9,13,15H2,1-3H3,(H,30,36)(H,31,35)/t20-,23-,25-/m1/s1" ; chebi:inchikey "LLFGMIFPADLUOD-QFZRFWILSA-N" ; chebi:mass "535.568" ; chebi:monoisotopicmass "535.22310" ; chebi:smiles "CC1=NN(C=C1NC(=O)C[C@H]2CC[C@@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CC(=CC=C5)F)C(=O)N3C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101343" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide" . obo:CHEBI_101344 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C30H36FN3O5" ; chebi:inchi "InChI=1S/C30H36FN3O5/c1-34-25-13-12-22(16-28(35)32-17-20-9-5-6-10-24(20)31)39-27(25)18-38-26-14-11-21(15-23(26)30(34)37)33-29(36)19-7-3-2-4-8-19/h5-6,9-11,14-15,19,22,25,27H,2-4,7-8,12-13,16-18H2,1H3,(H,32,35)(H,33,36)/t22-,25-,27-/m1/s1" ; chebi:inchikey "CEZHWMAQWNYMAY-AVPJRLCVSA-N" ; chebi:mass "537.623" ; chebi:monoisotopicmass "537.26390" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCCCC4)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101344" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclohexanecarboxamide" . obo:CHEBI_101345 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H31N3O6" ; chebi:inchi "InChI=1S/C21H31N3O6/c1-23(2)20(26)10-17-7-8-18-19(30-17)13-29-12-15(25)11-24(18)21(27)22-14-5-4-6-16(9-14)28-3/h4-6,9,15,17-19,25H,7-8,10-13H2,1-3H3,(H,22,27)/t15-,17-,18-,19+/m0/s1" ; chebi:inchikey "SSPYWNJKRFMGCQ-DSLXNQLJSA-N" ; chebi:mass "421.488" ; chebi:monoisotopicmass "421.22129" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2C(=O)NC3=CC(=CC=C3)OC)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101345" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101346 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H34FN3O3S" ; chebi:inchi "InChI=1S/C29H34FN3O3S/c1-5-14-31-28(35)24-17-22-18-33(37(36)29(2,3)4)25(13-15-34)26(22)27(32-24)21-8-6-7-20(16-21)19-9-11-23(30)12-10-19/h6-12,16-17,25,34H,5,13-15,18H2,1-4H3,(H,31,35)/t25-,37-/m0/s1" ; chebi:inchikey "HVPPUANJBVTFMA-RSUXDYMJSA-N" ; chebi:mass "523.664" ; chebi:monoisotopicmass "523.23049" ; chebi:smiles "CCCNC(=O)C1=NC(=C2[C@@H](N(CC2=C1)[S@@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101346" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101347 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)12-25-11-16)9-20(24)22-15-7-13-3-1-2-4-14(13)8-15/h1-4,15-19,21,23H,5-12H2,(H,22,24)/t16-,17+,18+,19-/m1/s1" ; chebi:inchikey "VINMFOKKSKWMTO-YDZRNGNQSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)NC3CC4=CC=CC=C4C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101347" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_101348 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C36H40N4O4S" ; chebi:inchi "InChI=1S/C36H40N4O4S/c1-36(2,3)45(44)40-23-29-21-30(34(42)37-22-24-11-7-6-8-12-24)38-33(32(29)31(40)17-18-41)27-15-9-13-25(19-27)26-14-10-16-28(20-26)35(43)39(4)5/h6-16,19-21,31,41H,17-18,22-23H2,1-5H3,(H,37,42)/t31-,45-/m1/s1" ; chebi:inchikey "LFBXRJWXGRWLKM-OJFHYHFNSA-N" ; chebi:mass "624.795" ; chebi:monoisotopicmass "624.27703" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)NCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101348" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-[3-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101349 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O5S" ; chebi:inchi "InChI=1S/C33H39N3O5S/c1-23-18-36(24(2)20-37)33(38)32-31(28-16-10-11-17-29(28)35(32)4)27-15-9-8-14-26(27)21-41-30(23)19-34(3)42(39,40)22-25-12-6-5-7-13-25/h5-17,23-24,30,37H,18-22H2,1-4H3/t23-,24-,30-/m0/s1" ; chebi:inchikey "LJWHPXFZVGGEPZ-JYUFKMNQSA-N" ; chebi:mass "589.747" ; chebi:monoisotopicmass "589.26104" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101349" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12714" . obo:CHEBI_10135 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25235 ; rdfs:subClassOf obo:CHEBI_33853 ; rdfs:subClassOf obo:CHEBI_67265 ; chebi:charge "0" ; chebi:formula "C17H24O4" ; chebi:inchi "InChI=1S/C17H24O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,20H,3-7,9,12H2,1-2H3" ; chebi:inchikey "KMNVXQHNIWUUSE-UHFFFAOYSA-N" ; chebi:mass "292.371" ; chebi:monoisotopicmass "292.16746" ; chebi:smiles "CCCCCC(=O)CC(=O)CCc1ccc(O)c(OC)c1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10135" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[6]-Gingerdione" . obo:CHEBI_101350 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21-,23+,25-,27-/m0/s1" ; chebi:inchikey "SNGIXDWGPLKZOT-DWEXDDMVSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101350" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101351 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H24Cl2FN3O4" ; chebi:inchi "InChI=1S/C22H24Cl2FN3O4/c23-17-7-5-15(11-18(17)24)27-22(31)28-19-8-6-16(32-20(19)12-29)9-10-26-21(30)13-1-3-14(25)4-2-13/h1-5,7,11,16,19-20,29H,6,8-10,12H2,(H,26,30)(H2,27,28,31)/t16-,19+,20+/m1/s1" ; chebi:inchikey "ONEMPWMAPHHZJV-UXPWSPDFSA-N" ; chebi:mass "484.349" ; chebi:monoisotopicmass "483.11279" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNC(=O)C2=CC=C(C=C2)F)CO)NC(=O)NC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101351" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6R)-5-[[(3,4-dichloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-fluorobenzamide" . obo:CHEBI_101352 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23-,29+/m0/s1" ; chebi:inchikey "VHDWJFVGOVHSLC-SBZVUBOMSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101352" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12717" . obo:CHEBI_101353 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-9-10-23-24(13-22)36-18-20(3)32(16-21-8-7-12-28-14-21)15-19(2)25(35-5)17-31(4)26(23)33/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25+/m1/s1" ; chebi:inchikey "CHKBOEGZXMMFCS-RNHFSVANSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)CC3=CN=CC=C3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101353" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_101354 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_3082 ; owl:deprecated true . obo:CHEBI_101355 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25392 ; rdfs:subClassOf obo:CHEBI_35489 . _:b167 rdf:type owl:Restriction . obo:CHEBI_101355 rdfs:subClassOf _:b167 . _:b167 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50925 . obo:CHEBI_101355 obo:IAO_0000115 "An organic disulfide obtained by oxidative dimerisation of 1-sulfanylnaphthalen-2-ol." ; chebi:charge "0" ; chebi:formula "C20H14O2S2" ; chebi:inchi "InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H" ; chebi:inchikey "RFAXLXKIAKIUDT-UHFFFAOYSA-N" ; chebi:mass "350.457" ; chebi:monoisotopicmass "350.04352" ; chebi:smiles "S(SC=1C(=CC=C2C=CC=CC12)O)C=3C(=CC=C4C=CC=CC34)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101355" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "IPA-3" . obo:CHEBI_101356 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33N3O5S" ; chebi:inchi "InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)27-14-8-7-13-26(27)25-12-6-4-11-24(25)20-38-28(21)18-32(3)39(36,37)29-15-9-5-10-23(29)16-31/h4-15,21-22,28,34H,17-20H2,1-3H3/t21-,22-,28-/m0/s1" ; chebi:inchikey "CWLJLYLZQZUHCH-VPYPWEPUSA-N" ; chebi:mass "547.667" ; chebi:monoisotopicmass "547.21409" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C#N)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101356" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12720" . obo:CHEBI_101357 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-16-32(21(2)18-33)28(34)25-13-8-7-12-24(25)23-11-6-5-10-22(23)19-36-27(20)17-31(4)29(35)26-14-9-15-30(26)3/h5-8,10-13,20-21,26-27,33H,9,14-19H2,1-4H3/t20-,21-,26+,27-/m1/s1" ; chebi:inchikey "PIMBJQHAALXIRA-VFOOCMBXSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H]4CCCN4C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101357" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12721" . obo:CHEBI_101358 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c33-24-17-32(29(35)22-7-4-14-30-16-22)26-13-12-25(37-27(26)19-36-18-24)15-28(34)31-23-10-8-21(9-11-23)20-5-2-1-3-6-20/h1-11,14,16,24-27,33H,12-13,15,17-19H2,(H,31,34)/t24-,25-,26-,27+/m0/s1" ; chebi:inchikey "WTHWQCPYZWPYSX-YIPNQBBMSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CN=CC=C3)O)O[C@@H]1CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101358" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101359 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H25N3OS" ; chebi:inchi "InChI=1S/C22H25N3OS/c1-2-18-13-24-22(27-18)25-19(12-23)21(20(25)14-26)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h6,8-11,13,19-21,26H,2-5,7,14H2,1H3/t19-,20-,21-/m0/s1" ; chebi:inchikey "DBVJKEGLTFFIFT-ACRUOGEOSA-N" ; chebi:mass "379.520" ; chebi:monoisotopicmass "379.17183" ; chebi:smiles "CCC1=CN=C(S1)N2[C@H]([C@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CCCCC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101359" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_10136 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_134251 ; rdfs:subClassOf obo:CHEBI_55380 . _:b168 rdf:type owl:Restriction . obo:CHEBI_10136 rdfs:subClassOf _:b168 . _:b168 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . _:b169 rdf:type owl:Restriction . obo:CHEBI_10136 rdfs:subClassOf _:b169 . _:b169 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . obo:CHEBI_10136 obo:IAO_0000115 "A beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger." ; chebi:charge "0" ; chebi:formula "C17H26O4" ; chebi:inchi "InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1" ; chebi:inchikey "NLDDIKRKFXEWBK-AWEZNQCLSA-N" ; chebi:mass "294.38590" ; chebi:monoisotopicmass "294.18311" ; chebi:smiles "CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10136" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "gingerol" . obo:CHEBI_101360 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H36N4O5S" ; chebi:inchi "InChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(27-14-8-9-15-28(27)36(32)4)26-13-7-5-12-25(26)21-42-29(22)19-35(3)43(40,41)30-16-10-6-11-24(30)17-34/h5-16,22-23,29,38H,18-21H2,1-4H3/t22-,23+,29-/m0/s1" ; chebi:inchikey "VOTKEIORIBNPMA-CTWZREHQSA-N" ; chebi:mass "600.730" ; chebi:monoisotopicmass "600.24064" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C#N)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101360" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12724" . obo:CHEBI_101361 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H43N5O4S" ; chebi:inchi "InChI=1S/C34H43N5O4S/c1-34(2,3)44(43)39-22-27-21-28(33(42)38-16-14-37(6)15-17-38)35-31(30(27)29(39)13-18-40)25-11-7-9-23(19-25)24-10-8-12-26(20-24)32(41)36(4)5/h7-12,19-21,29,40H,13-18,22H2,1-6H3/t29-,44-/m1/s1" ; chebi:inchikey "JAGKHPQTGSVHMY-FUGCVYLMSA-N" ; chebi:mass "617.804" ; chebi:monoisotopicmass "617.30358" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101361" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_101362 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H23Cl2FN2O5S" ; chebi:inchi "InChI=1S/C21H23Cl2FN2O5S/c22-17-7-1-13(9-18(17)23)11-25-21(28)10-15-4-8-19(20(12-27)31-15)26-32(29,30)16-5-2-14(24)3-6-16/h1-3,5-7,9,15,19-20,26-27H,4,8,10-12H2,(H,25,28)/t15-,19+,20-/m1/s1" ; chebi:inchikey "IBEFNTNFDPOULD-UIAACRFSSA-N" ; chebi:mass "505.389" ; chebi:monoisotopicmass "504.06888" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)NCC2=CC(=C(C=C2)Cl)Cl)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101362" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,4-dichlorophenyl)methyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide" . obo:CHEBI_101363 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C17H27N3O3" ; chebi:inchi "InChI=1S/C17H27N3O3/c1-11-8-19-12(2)10-23-15-7-13(18)5-6-14(15)17(21)20(3)9-16(11)22-4/h5-7,11-12,16,19H,8-10,18H2,1-4H3/t11-,12-,16-/m1/s1" ; chebi:inchikey "QJVJBGSWJYMVMN-XHBSWPGZSA-N" ; chebi:mass "321.415" ; chebi:monoisotopicmass "321.20524" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)N)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101363" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6R,9R)-14-amino-5-methoxy-3,6,9-trimethyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one" . obo:CHEBI_101364 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H40N4O5S" ; chebi:inchi "InChI=1S/C33H40N4O5S/c1-33(2,3)43(41)37-21-26-20-27(32(40)36-13-16-42-17-14-36)34-30(29(26)28(37)12-15-38)24-10-6-8-22(18-24)23-9-7-11-25(19-23)31(39)35(4)5/h6-11,18-20,28,38H,12-17,21H2,1-5H3/t28-,43-/m0/s1" ; chebi:inchikey "FSDPWXFWDMXQOK-SBWXIOHRSA-N" ; chebi:mass "604.762" ; chebi:monoisotopicmass "604.27194" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)N5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101364" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_101365 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H16N2O4" ; chebi:inchi "InChI=1S/C19H16N2O4/c20-9-14-18(12-4-2-1-3-5-12)15(10-22)21(14)19(23)13-6-7-16-17(8-13)25-11-24-16/h1-8,14-15,18,22H,10-11H2/t14-,15+,18+/m1/s1" ; chebi:inchikey "NUSFKYNBTAYYBW-VKJFTORMSA-N" ; chebi:mass "336.342" ; chebi:monoisotopicmass "336.11101" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)C(=O)N3[C@H]([C@H]([C@H]3C#N)C4=CC=CC=C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101365" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_101366 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H31FN4O5" ; chebi:inchi "InChI=1S/C25H31FN4O5/c1-14(2)28-25(34)30-20-12-29-19(8-7-17(24(29)33)15-5-4-6-16(26)11-15)22(30)21(18(20)13-31)23(32)27-9-10-35-3/h4-8,11,14,18,20-22,31H,9-10,12-13H2,1-3H3,(H,27,32)(H,28,34)/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "RKZCTJVPZQLRIW-YJMBLLCNSA-N" ; chebi:mass "486.537" ; chebi:monoisotopicmass "486.22785" ; chebi:smiles "CC(C)NC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)F)[C@H]1[C@H]([C@@H]2CO)C(=O)NCCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101366" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12730" . obo:CHEBI_101367 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-30-10-9-24-22(27)13-16-12-19-18-11-15(25-33(28,29)17-5-3-2-4-6-17)7-8-20(18)32-23(19)21(14-26)31-16/h2-8,11,16,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t16-,19-,21-,23+/m1/s1" ; chebi:inchikey "GQLDDSCVBIFPRR-WACMXJRTSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "COCCNC(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101367" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101368 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H25N3O6" ; chebi:inchi "InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18+,20-/m1/s1" ; chebi:inchikey "HJRBVKTVNLVVPO-IMFGXOCKSA-N" ; chebi:mass "439.462" ; chebi:monoisotopicmass "439.17434" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101368" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_101369 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H43N3O4" ; chebi:inchi "InChI=1S/C28H43N3O4/c32-21-26-25(29-27(33)13-16-30-14-5-2-6-15-30)10-9-24(35-26)20-28(34)31-17-11-23(12-18-31)19-22-7-3-1-4-8-22/h1,3-4,7-8,23-26,32H,2,5-6,9-21H2,(H,29,33)/t24-,25-,26-/m0/s1" ; chebi:inchikey "HBACCIGQRKGJSE-GSDHBNRESA-N" ; chebi:mass "485.660" ; chebi:monoisotopicmass "485.32536" ; chebi:smiles "C1CCN(CC1)CCC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101369" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_10137 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_17087 ; rdfs:subClassOf obo:CHEBI_25235 ; rdfs:subClassOf obo:CHEBI_33853 ; chebi:charge "0" ; chebi:formula "C17H26O3" ; chebi:inchi "InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3" ; chebi:inchikey "CZNLTCTYLMYLHL-UHFFFAOYSA-N" ; chebi:mass "278.387" ; chebi:monoisotopicmass "278.18819" ; chebi:smiles "CCCCCCCC(=O)CCc1ccc(O)c(OC)c1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10137" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[6]-Paradol" . obo:CHEBI_101370 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C22H31FN2O4" ; chebi:inchi "InChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18+,20+,21-/m1/s1" ; chebi:inchikey "LTCDBOWOUBSGLM-YXYSEUPNSA-N" ; chebi:mass "406.492" ; chebi:monoisotopicmass "406.22679" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC=CC=C4F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101370" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_101371 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26N4O5S" ; chebi:inchi "InChI=1S/C20H26N4O5S/c1-14-3-2-4-16(11-14)30(27,28)24-17-6-5-15(29-19(17)13-25)7-8-23-20(26)18-12-21-9-10-22-18/h2-4,9-12,15,17,19,24-25H,5-8,13H2,1H3,(H,23,26)/t15-,17+,19+/m0/s1" ; chebi:inchikey "LUVVHBIYDBULDN-KVSKMBFKSA-N" ; chebi:mass "434.511" ; chebi:monoisotopicmass "434.16239" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)C3=NC=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101371" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_101372 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21+,22-,23-,24+/m1/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-HUUMMWPTSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@@H](COC[C@H]2[C@H]1CC[C@@H](O2)CC(=O)N[C@@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101372" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8R,10aR)-3-hydroxy-8-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101373 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H36N4O4" ; chebi:inchi "InChI=1S/C22H36N4O4/c1-14(2)23-22(28)24-17-8-9-18-19(10-17)30-13-16(4)25(5)11-15(3)20(29-7)12-26(6)21(18)27/h8-10,14-16,20H,11-13H2,1-7H3,(H2,23,24,28)/t15-,16+,20-/m1/s1" ; chebi:inchikey "AADVJQLQUVDEBP-GQIGUUNPSA-N" ; chebi:mass "420.546" ; chebi:monoisotopicmass "420.27366" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101373" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_101374 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C25H37FN2O4" ; chebi:inchi "InChI=1S/C25H37FN2O4/c26-20-8-6-18(7-9-20)13-27-25(30)12-22-10-11-23-24(32-22)17-31-16-21(29)15-28(23)14-19-4-2-1-3-5-19/h6-9,19,21-24,29H,1-5,10-17H2,(H,27,30)/t21-,22-,23-,24+/m0/s1" ; chebi:inchikey "CEWCLCSAKAWIOS-NEWJYFPISA-N" ; chebi:mass "448.572" ; chebi:monoisotopicmass "448.27374" ; chebi:smiles "C1CCC(CC1)CN2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC=C(C=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101374" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-(cyclohexylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_101375 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O5S" ; chebi:inchi "InChI=1S/C30H36N2O5S/c1-21-11-5-10-16-29(21)38(35,36)31(4)18-28-22(2)17-32(23(3)19-33)30(34)27-15-9-8-14-26(27)25-13-7-6-12-24(25)20-37-28/h5-16,22-23,28,33H,17-20H2,1-4H3/t22-,23-,28+/m1/s1" ; chebi:inchikey "RCQCJVVJEHACDL-MRJKTFCFSA-N" ; chebi:mass "536.684" ; chebi:monoisotopicmass "536.23449" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101375" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12739" . obo:CHEBI_101376 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O6" ; chebi:inchi "InChI=1S/C19H32N2O6/c1-2-20-18(23)9-15-3-4-16-17(27-15)12-26-11-14(22)10-21(16)19(24)13-5-7-25-8-6-13/h13-17,22H,2-12H2,1H3,(H,20,23)/t14-,15-,16-,17+/m0/s1" ; chebi:inchikey "MWTQFHHONBVRQP-LUKYLMHMSA-N" ; chebi:mass "384.468" ; chebi:monoisotopicmass "384.22604" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2C(=O)C3CCOCC3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101376" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[4-oxanyl(oxo)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_101377 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15-6-9-17(10-7-15)31(28,29)25-20-11-8-16(30-21(20)14-26)12-13-24-22(27)18-4-2-3-5-19(18)23/h2-7,9-10,16,20-21,25-26H,8,11-14H2,1H3,(H,24,27)/t16-,20-,21-/m1/s1" ; chebi:inchikey "SBFIZHFYYISGJV-MAODMQOUSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101377" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide" . obo:CHEBI_101378 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-18-13-30(14-21-8-6-7-11-27-21)19(2)16-35-23-10-9-20(28-25(31)17-33-4)12-22(23)26(32)29(3)15-24(18)34-5/h6-12,18-19,24H,13-17H2,1-5H3,(H,28,31)/t18-,19-,24-/m1/s1" ; chebi:inchikey "FQDNKYOBJJPTQR-KHCICDEESA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101378" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101379 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H34F3N3O4" ; chebi:inchi "InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-41-28(20)17-36(3)30(40)35-24-11-8-10-23(15-24)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21-,28+/m1/s1" ; chebi:inchikey "HSJIFMVKIOATEF-CJYOKPGZSA-N" ; chebi:mass "569.616" ; chebi:monoisotopicmass "569.25014" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC(=C4)C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101379" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12743" . obo:CHEBI_10138 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25235 ; rdfs:subClassOf obo:CHEBI_33853 ; rdfs:subClassOf obo:CHEBI_51689 ; chebi:charge "0" ; chebi:formula "C17H24O3" ; chebi:inchi "InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+" ; chebi:inchikey "OQWKEEOHDMUXEO-BQYQJAHWSA-N" ; chebi:mass "276.371" ; chebi:monoisotopicmass "276.17254" ; chebi:smiles "CCCCC\\C=C\\C(=O)CCc1ccc(O)c(OC)c1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10138" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[6]-Shogaol" . obo:CHEBI_101380 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_258351 ; owl:deprecated true . obo:CHEBI_101381 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23990 ; rdfs:subClassOf obo:CHEBI_25018 ; rdfs:subClassOf obo:CHEBI_29347 ; rdfs:subClassOf obo:CHEBI_32955 . _:b170 rdf:type owl:Restriction . obo:CHEBI_101381 rdfs:subClassOf _:b170 . _:b170 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_64932 . obo:CHEBI_101381 obo:IAO_0000115 "An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide." ; chebi:charge "0" ; chebi:formula "C17H30N2O5" ; chebi:inchi "InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1" ; chebi:inchikey "SRVFFFJZQVENJC-IHRRRGAJSA-N" ; chebi:mass "342.431" ; chebi:monoisotopicmass "342.21547" ; chebi:smiles "O1[C@@H]([C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C(=O)OCC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101381" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "aloxistatin" . obo:CHEBI_101382 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27N5O3" ; chebi:inchi "InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20+,22+/m0/s1" ; chebi:inchikey "HKZRXKNGDCOEMV-TUNNFDKTSA-N" ; chebi:mass "421.493" ; chebi:monoisotopicmass "421.21139" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=C3)CO)NC(=O)CC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101382" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_101383 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H24F2N2O6S" ; chebi:inchi "InChI=1S/C22H24F2N2O6S/c1-33(29,30)26-14-3-5-19-16(7-14)17-8-15(31-20(11-27)22(17)32-19)9-21(28)25-10-12-6-13(23)2-4-18(12)24/h2-7,15,17,20,22,26-27H,8-11H2,1H3,(H,25,28)/t15-,17+,20+,22-/m0/s1" ; chebi:inchikey "IELDZLYSVNRCSJ-QBLKZJFASA-N" ; chebi:mass "482.499" ; chebi:monoisotopicmass "482.13231" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101383" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101384 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H34N2O6" ; chebi:inchi "InChI=1S/C24H34N2O6/c27-18-13-26(12-17-4-7-21-22(10-17)31-16-30-21)20-6-5-19(32-23(20)15-29-14-18)11-24(28)25-8-2-1-3-9-25/h4,7,10,18-20,23,27H,1-3,5-6,8-9,11-16H2/t18-,19-,20-,23+/m0/s1" ; chebi:inchikey "TYHBJRPCTKOJBR-IHFIDZABSA-N" ; chebi:mass "446.537" ; chebi:monoisotopicmass "446.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101384" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_101385 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C20H27N3O5" ; chebi:inchi "InChI=1S/C20H27N3O5/c1-4-21-19(25)10-14-6-7-16-18(28-14)11-27-17-8-5-13(22-12(2)24)9-15(17)20(26)23(16)3/h5,8-9,14,16,18H,4,6-7,10-11H2,1-3H3,(H,21,25)(H,22,24)/t14-,16+,18+/m1/s1" ; chebi:inchikey "WVVDCAKHEAPTNY-HFTRVMKXSA-N" ; chebi:mass "389.446" ; chebi:monoisotopicmass "389.19507" ; chebi:smiles "CCNC(=O)C[C@H]1CC[C@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C)C(=O)N2C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101385" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide" . obo:CHEBI_101386 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C12H21NO5" ; chebi:inchi "InChI=1S/C12H21NO5/c1-16-12(15)4-9-2-3-10-11(18-9)7-17-6-8(14)5-13-10/h8-11,13-14H,2-7H2,1H3/t8-,9+,10-,11+/m1/s1" ; chebi:inchikey "FKMAUGDURCCEJG-YTWAJWBKSA-N" ; chebi:mass "259.299" ; chebi:monoisotopicmass "259.14197" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101386" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101387 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)13-25-12-16)9-20(24)22-8-7-14-3-1-2-4-15(14)11-22/h1-4,16-19,21,23H,5-13H2/t16-,17+,18-,19+/m1/s1" ; chebi:inchikey "MNYFKSZVIZZWBR-HCXYKTFWSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101387" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_101388 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H33N5O5" ; chebi:inchi "InChI=1S/C26H33N5O5/c32-20-16-31(26(34)22-15-27-8-9-28-22)23-7-6-21(36-24(23)18-35-17-20)14-25(33)30-12-10-29(11-13-30)19-4-2-1-3-5-19/h1-5,8-9,15,20-21,23-24,32H,6-7,10-14,16-18H2/t20-,21-,23-,24+/m1/s1" ; chebi:inchikey "LCHNJAZNAXXEPD-KOVSNXQUSA-N" ; chebi:mass "495.572" ; chebi:monoisotopicmass "495.24817" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@H]1CC(=O)N4CCN(CC4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101388" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_101389 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O5S2" ; chebi:inchi "InChI=1S/C22H32N4O5S2/c1-15-11-26(13-21-23-8-9-32-21)16(2)14-31-19-10-17(24-33(5,28)29)6-7-18(19)22(27)25(3)12-20(15)30-4/h6-10,15-16,20,24H,11-14H2,1-5H3/t15-,16-,20+/m0/s1" ; chebi:inchikey "ILRMXYQNFGXKSX-TWOQFEAHSA-N" ; chebi:mass "496.646" ; chebi:monoisotopicmass "496.18141" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101389" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101390 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O8S" ; chebi:inchi "InChI=1S/C26H32N2O8S/c1-17-2-6-21(7-3-17)37(31,32)28-13-19(29)14-33-15-25-22(28)8-5-20(36-25)11-26(30)27-12-18-4-9-23-24(10-18)35-16-34-23/h2-4,6-7,9-10,19-20,22,25,29H,5,8,11-16H2,1H3,(H,27,30)/t19-,20-,22+,25-/m0/s1" ; chebi:inchikey "HNAQDDNENYJUKU-JBAWTIAASA-N" ; chebi:mass "532.608" ; chebi:monoisotopicmass "532.18794" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101390" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_101391 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H31N3O5" ; chebi:inchi "InChI=1S/C21H31N3O5/c1-28-16-7-5-6-15(12-16)22-21(27)23-18-9-8-17(29-19(18)14-25)13-20(26)24-10-3-2-4-11-24/h5-7,12,17-19,25H,2-4,8-11,13-14H2,1H3,(H2,22,23,27)/t17-,18-,19+/m1/s1" ; chebi:inchikey "LPRUTVLBIHKZIS-QRVBRYPASA-N" ; chebi:mass "405.489" ; chebi:monoisotopicmass "405.22637" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)N3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101391" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea" . obo:CHEBI_101392 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H39N3O6" ; chebi:inchi "InChI=1S/C27H39N3O6/c31-17-24-26-22(15-20(35-24)16-25(32)28-8-11-30-9-2-1-3-10-30)21-14-19(4-5-23(21)36-26)29-27(33)18-6-12-34-13-7-18/h4-5,14,18,20,22,24,26,31H,1-3,6-13,15-17H2,(H,28,32)(H,29,33)/t20-,22+,24+,26-/m1/s1" ; chebi:inchikey "XIMMKRXXDKAOMK-GRTAZNFBSA-N" ; chebi:mass "501.616" ; chebi:monoisotopicmass "501.28389" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101392" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101393 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H30FN3O4S2" ; chebi:inchi "InChI=1S/C20H30FN3O4S2/c1-15(19(28-4)12-23(3)13-20-22-9-10-29-20)11-24(16(2)14-25)30(26,27)18-7-5-17(21)6-8-18/h5-10,15-16,19,25H,11-14H2,1-4H3/t15-,16+,19+/m0/s1" ; chebi:inchikey "HDBUQVYPKWOJFH-FRQCXROJSA-N" ; chebi:mass "459.601" ; chebi:monoisotopicmass "459.16618" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)CC2=NC=CS2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101393" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide" . obo:CHEBI_101394 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N5O4S" ; chebi:inchi "InChI=1S/C22H27N5O4S/c1-16-4-7-19(8-5-16)32(29,30)25-20-9-6-18(31-22(20)15-28)10-12-27-14-21(24-26-27)17-3-2-11-23-13-17/h2-5,7-8,11,13-14,18,20,22,25,28H,6,9-10,12,15H2,1H3/t18-,20+,22-/m0/s1" ; chebi:inchikey "AGCDJJGGWAFKHW-DWLFOUALSA-N" ; chebi:mass "457.548" ; chebi:monoisotopicmass "457.17838" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCN3C=C(N=N3)C4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101394" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide" . obo:CHEBI_101395 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C25H31N5O5S" ; chebi:inchi "InChI=1S/C25H31N5O5S/c1-28-7-9-30(10-8-28)23(31)12-17-4-5-20-22(35-17)13-34-21-6-3-16(11-18(21)25(33)29(20)2)27-24(32)19-14-36-15-26-19/h3,6,11,14-15,17,20,22H,4-5,7-10,12-13H2,1-2H3,(H,27,32)/t17-,20-,22+/m0/s1" ; chebi:inchikey "MBWHXZFHLNKYMT-RBDMOPTHSA-N" ; chebi:mass "513.611" ; chebi:monoisotopicmass "513.20459" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101395" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide" . obo:CHEBI_101396 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O6" ; chebi:inchi "InChI=1S/C28H29N3O6/c1-35-23-7-3-2-5-17(23)15-30-26(33)13-20-12-22-21-11-19(31-28(34)18-6-4-10-29-14-18)8-9-24(21)37-27(22)25(16-32)36-20/h2-11,14,20,22,25,27,32H,12-13,15-16H2,1H3,(H,30,33)(H,31,34)/t20-,22+,25-,27-/m1/s1" ; chebi:inchikey "FJJBSMMGLKBUIQ-IIKILRQQSA-N" ; chebi:mass "503.547" ; chebi:monoisotopicmass "503.20564" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101396" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101397 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21+,22-,23-/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-SSPLDBJCSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101397" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12760" . obo:CHEBI_101398 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H37N5O4" ; chebi:inchi "InChI=1S/C22H37N5O4/c28-16-21-19(23-22(29)15-26-10-12-30-13-11-26)7-6-18(31-21)8-9-27-14-20(24-25-27)17-4-2-1-3-5-17/h14,17-19,21,28H,1-13,15-16H2,(H,23,29)/t18-,19-,21+/m1/s1" ; chebi:inchikey "ASLPZONUTGKWLH-SBHAEUEKSA-N" ; chebi:mass "435.561" ; chebi:monoisotopicmass "435.28455" ; chebi:smiles "C1CCC(CC1)C2=CN(N=N2)CC[C@H]3CC[C@H]([C@@H](O3)CO)NC(=O)CN4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101398" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide" . obo:CHEBI_101399 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H32N2O5" ; chebi:inchi "InChI=1S/C29H32N2O5/c1-31(2)20-10-13-26-24(14-20)25-15-23(35-27(18-32)29(25)36-26)16-28(33)30-17-19-8-11-22(12-9-19)34-21-6-4-3-5-7-21/h3-14,23,25,27,29,32H,15-18H2,1-2H3,(H,30,33)/t23-,25-,27+,29+/m1/s1" ; chebi:inchikey "MRJCPWMBHXTRFB-UXLOVFDUSA-N" ; chebi:mass "488.576" ; chebi:monoisotopicmass "488.23112" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101399" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_1014 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26394 ; chebi:charge "0" ; chebi:formula "C10H14N6O4" ; chebi:inchi "InChI=1S/C10H14N6O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1" ; chebi:inchikey "ZDTFMPXQUSBYRL-UUOKFMHZSA-N" ; chebi:mass "282.256" ; chebi:monoisotopicmass "282.10765" ; chebi:smiles "Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:1014" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-Aminoadenosine" . obo:CHEBI_101400 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O7" ; chebi:inchi "InChI=1S/C23H34N4O7/c28-14-21-18(26-23(30)25-16-2-5-19-20(12-16)33-15-32-19)4-3-17(34-21)13-22(29)24-6-1-7-27-8-10-31-11-9-27/h2,5,12,17-18,21,28H,1,3-4,6-11,13-15H2,(H,24,29)(H2,25,26,30)/t17-,18-,21+/m1/s1" ; chebi:inchikey "WGFFUWNETOGMCB-OPYAIIAOSA-N" ; chebi:mass "478.540" ; chebi:monoisotopicmass "478.24275" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101400" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101401 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c23-13-19-18(22-28(25,26)14-15-5-2-1-3-6-15)10-9-17(27-19)11-12-21-20(24)16-7-4-8-16/h1-3,5-6,16-19,22-23H,4,7-14H2,(H,21,24)/t17-,18-,19-/m1/s1" ; chebi:inchikey "FGKXCNJDDMNFOM-GUDVDZBRSA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "C1CC(C1)C(=O)NCC[C@H]2CC[C@H]([C@H](O2)CO)NS(=O)(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101401" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide" . obo:CHEBI_101402 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23-,29+/m1/s1" ; chebi:inchikey "VHDWJFVGOVHSLC-SGQNLQFHSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101402" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12765" . obo:CHEBI_101403 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-17(2)27(33)30-19-7-12-24-22(13-19)28(34)31(3)23-11-10-21(37-25(23)16-36-24)14-26(32)29-15-18-5-8-20(35-4)9-6-18/h5-9,12-13,17,21,23,25H,10-11,14-16H2,1-4H3,(H,29,32)(H,30,33)/t21-,23-,25-/m1/s1" ; chebi:inchikey "WOMWNJCZYVCUPK-GZGNHOFSSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)OC)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101403" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide" . obo:CHEBI_101404 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O5" ; chebi:inchi "InChI=1S/C27H36FN3O5/c1-18-13-31(14-20-7-6-8-21(28)11-20)19(2)16-36-24-12-22(29-26(32)17-34-4)9-10-23(24)27(33)30(3)15-25(18)35-5/h6-12,18-19,25H,13-17H2,1-5H3,(H,29,32)/t18-,19-,25-/m1/s1" ; chebi:inchikey "KGYIFIZLZVXLPC-MPCDZSKCSA-N" ; chebi:mass "501.591" ; chebi:monoisotopicmass "501.26390" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101404" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_101405 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H27N3O3" ; chebi:inchi "InChI=1S/C23H27N3O3/c27-14-17-18-13-26-19(10-9-16(22(26)28)15-7-3-1-4-8-15)21(24-18)20(17)23(29)25-11-5-2-6-12-25/h1,3-4,7-10,17-18,20-21,24,27H,2,5-6,11-14H2/t17-,18-,20+,21+/m1/s1" ; chebi:inchikey "JIIRQJXSNNBKIS-QCFAMHMHSA-N" ; chebi:mass "393.480" ; chebi:monoisotopicmass "393.20524" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@@H]2N3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101405" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12768" . obo:CHEBI_101406 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29FN4O5S" ; chebi:inchi "InChI=1S/C21H29FN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16-,20-/m0/s1" ; chebi:inchikey "DJBLUNZOFTWTAE-FTRWYGJKSA-N" ; chebi:mass "468.544" ; chebi:monoisotopicmass "468.18427" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101406" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_101407 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H37ClN2O4" ; chebi:inchi "InChI=1S/C25H37ClN2O4/c26-20-8-4-7-19(11-20)14-28-15-21(29)16-31-17-24-23(28)10-9-22(32-24)12-25(30)27-13-18-5-2-1-3-6-18/h4,7-8,11,18,21-24,29H,1-3,5-6,9-10,12-17H2,(H,27,30)/t21-,22-,23+,24-/m1/s1" ; chebi:inchikey "UWGYAIIPASVTSB-JLLPCOHGSA-N" ; chebi:mass "465.026" ; chebi:monoisotopicmass "464.24419" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101407" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_101408 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H25FN2O7S" ; chebi:inchi "InChI=1S/C23H25FN2O7S/c1-26-19-9-6-16(12-22(27)31-2)33-21(19)13-32-20-10-5-15(11-18(20)23(26)28)25-34(29,30)17-7-3-14(24)4-8-17/h3-5,7-8,10-11,16,19,21,25H,6,9,12-13H2,1-2H3/t16-,19+,21+/m1/s1" ; chebi:inchikey "QOIMCQVGUSYUFV-PBEJRMEISA-N" ; chebi:mass "492.519" ; chebi:monoisotopicmass "492.13665" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101408" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101409 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21+,22+,23-/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-CIGBUEHFSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101409" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12772" . obo:CHEBI_101410 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H33N3O5" ; chebi:inchi "InChI=1S/C18H33N3O5/c1-25-10-9-19-17(23)11-14-7-8-15(16(12-22)26-14)21-18(24)20-13-5-3-2-4-6-13/h13-16,22H,2-12H2,1H3,(H,19,23)(H2,20,21,24)/t14-,15+,16-/m1/s1" ; chebi:inchikey "LJTZBZLXVQJQJX-OWCLPIDISA-N" ; chebi:mass "371.472" ; chebi:monoisotopicmass "371.24202" ; chebi:smiles "COCCNC(=O)C[C@H]1CC[C@@H]([C@H](O1)CO)NC(=O)NC2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101410" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6S)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101411 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C24H28FN3O3" ; chebi:inchi "InChI=1S/C24H28FN3O3/c25-15-6-4-5-14(11-15)17-9-10-20-21-18(12-28(20)24(17)31)19(13-29)22(27-21)23(30)26-16-7-2-1-3-8-16/h4-6,9-11,16,18-19,21-22,27,29H,1-3,7-8,12-13H2,(H,26,30)/t18-,19-,21+,22-/m0/s1" ; chebi:inchikey "VBHCGIGHTBBWQL-MPJJRAAHSA-N" ; chebi:mass "425.497" ; chebi:monoisotopicmass "425.21147" ; chebi:smiles "C1CCC(CC1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC(=CC=C5)F)[C@@H]3N2)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101411" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-cyclohexyl-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101412 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H39N3O5" ; chebi:inchi "InChI=1S/C34H39N3O5/c1-22-17-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-26(27)21-42-30(22)19-35(3)18-24-10-9-12-25(16-24)34(40)41/h5-16,22-23,30,38H,17-21H2,1-4H3,(H,40,41)/t22-,23+,30-/m0/s1" ; chebi:inchikey "LTECXWQWCPQLLD-BURCIIJTSA-N" ; chebi:mass "569.692" ; chebi:monoisotopicmass "569.28897" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101412" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12775" . obo:CHEBI_101413 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-11-6-5-10-20(21)25)22(33-4)14-27(3)34(31,32)19-9-7-8-18(24)12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22+/m1/s1" ; chebi:inchikey "QUGGTUJVTWBVOW-JLHGSKIFSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101413" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[(3-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_101414 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C31H38N2O4" ; chebi:inchi "InChI=1S/C31H38N2O4/c1-22-17-33(23(2)20-34)31(35)28-15-9-8-14-27(28)26-13-7-5-12-25(26)21-37-30(22)19-32(3)18-24-11-6-10-16-29(24)36-4/h5-16,22-23,30,34H,17-21H2,1-4H3/t22-,23+,30-/m0/s1" ; chebi:inchikey "VZCRYBFAFAJOLC-BURCIIJTSA-N" ; chebi:mass "502.646" ; chebi:monoisotopicmass "502.28316" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=CC=C4OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101414" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12777" . obo:CHEBI_101415 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-9-8-19(11-20(21)23(30)29(3)13-22(15)32-4)28-24(31)27-18-7-5-6-17(25)10-18/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16+,22+/m0/s1" ; chebi:inchikey "WJKSFTDVZIMVMK-WJONJSRFSA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101415" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101416 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b171 rdf:type owl:Restriction . obo:CHEBI_101416 rdfs:subClassOf _:b171 . _:b171 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_101416 chebi:charge "0" ; chebi:formula "C19H25N3O2" ; chebi:inchi "InChI=1S/C19H25N3O2/c20-13-16-19(15-7-3-1-4-8-15)17(14-23)22(16)18(24)9-12-21-10-5-2-6-11-21/h1,3-4,7-8,16-17,19,23H,2,5-6,9-12,14H2/t16-,17-,19-/m0/s1" ; chebi:inchikey "DNWBFORDJWKZCR-LNLFQRSKSA-N" ; chebi:mass "327.421" ; chebi:monoisotopicmass "327.19468" ; chebi:smiles "C1CCN(CC1)CCC(=O)N2[C@H]([C@H]([C@@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101416" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_101417 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H35N3O5" ; chebi:inchi "InChI=1S/C24H35N3O5/c1-2-10-25-22(29)13-17-12-19-18-11-16(27-24(30)26-15-6-4-3-5-7-15)8-9-20(18)32-23(19)21(14-28)31-17/h8-9,11,15,17,19,21,23,28H,2-7,10,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t17-,19+,21-,23-/m1/s1" ; chebi:inchikey "ALHQUDNRSCILRO-GUBFDYSESA-N" ; chebi:mass "445.553" ; chebi:monoisotopicmass "445.25767" ; chebi:smiles "CCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101417" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_101418 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H32N2O8" ; chebi:inchi "InChI=1S/C28H32N2O8/c31-14-25-27-21(20-10-18(2-4-22(20)38-27)30-28(33)17-5-7-34-8-6-17)11-19(37-25)12-26(32)29-13-16-1-3-23-24(9-16)36-15-35-23/h1-4,9-10,17,19,21,25,27,31H,5-8,11-15H2,(H,29,32)(H,30,33)/t19-,21+,25-,27-/m1/s1" ; chebi:inchikey "MOISLORHFJLABX-DBXGMPFESA-N" ; chebi:mass "524.563" ; chebi:monoisotopicmass "524.21587" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101418" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101419 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C33H36N2O7" ; chebi:inchi "InChI=1S/C33H36N2O7/c36-20-30-32-28(27-16-23(8-11-29(27)42-32)35-33(38)22-12-14-39-15-13-22)17-26(41-30)18-31(37)34-19-21-6-9-25(10-7-21)40-24-4-2-1-3-5-24/h1-11,16,22,26,28,30,32,36H,12-15,17-20H2,(H,34,37)(H,35,38)/t26-,28+,30-,32-/m0/s1" ; chebi:inchikey "MARYDHBQWVLAFX-YTXOVJPBSA-N" ; chebi:mass "572.649" ; chebi:monoisotopicmass "572.25225" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101419" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_10142 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_60027 ; chebi:formula "(C29H48O23)n" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10142" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Arabino-galacto-(1->6)]-(1->3)-beta-D-galactans" . obo:CHEBI_101420 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-23(2)20(26)10-14-9-16-15-8-13(22-19(25)7-12-3-4-12)5-6-17(15)28-21(16)18(11-24)27-14/h5-6,8,12,14,16,18,21,24H,3-4,7,9-11H2,1-2H3,(H,22,25)/t14-,16-,18-,21+/m0/s1" ; chebi:inchikey "PPHZKQYZEIZDOF-YZZRYBLGSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "CN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101420" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_101421 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O5" ; chebi:inchi "InChI=1S/C27H33F3N2O5/c28-27(29,30)12-13-32-16-20(33)17-35-18-25-24(32)11-10-23(37-25)14-26(34)31-15-19-6-8-22(9-7-19)36-21-4-2-1-3-5-21/h1-9,20,23-25,33H,10-18H2,(H,31,34)/t20-,23+,24-,25+/m0/s1" ; chebi:inchikey "HZAABOSBDYXUMN-WQDFSMHNSA-N" ; chebi:mass "522.558" ; chebi:monoisotopicmass "522.23416" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CCC(F)(F)F)O)O[C@H]1CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101421" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_101422 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33N3O5S" ; chebi:inchi "InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-38-29(21)18-32(3)39(36,37)25-11-8-9-23(15-25)16-31/h4-15,21-22,29,34H,17-20H2,1-3H3/t21-,22+,29+/m1/s1" ; chebi:inchikey "RWOMJVAVZPFCIF-BXOOBUKZSA-N" ; chebi:mass "547.667" ; chebi:monoisotopicmass "547.21409" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101422" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12785" . obo:CHEBI_101423 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O7" ; chebi:inchi "InChI=1S/C23H34N4O7/c28-14-21-18(26-23(30)25-16-2-5-19-20(12-16)33-15-32-19)4-3-17(34-21)13-22(29)24-6-1-7-27-8-10-31-11-9-27/h2,5,12,17-18,21,28H,1,3-4,6-11,13-15H2,(H,24,29)(H2,25,26,30)/t17-,18+,21-/m0/s1" ; chebi:inchikey "WGFFUWNETOGMCB-UEXGIBASSA-N" ; chebi:mass "478.540" ; chebi:monoisotopicmass "478.24275" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101423" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101424 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c28-22-8-4-1-5-16(22)14-29-25(33)13-19-12-21-20-11-18(31-27(34)30-17-6-2-3-7-17)9-10-23(20)36-26(21)24(15-32)35-19/h1,4-5,8-11,17,19,21,24,26,32H,2-3,6-7,12-15H2,(H,29,33)(H2,30,31,34)/t19-,21+,24+,26-/m0/s1" ; chebi:inchikey "MSBIHNOYSLVJHR-RDCZCFFCSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101424" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101425 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H24F2N2O6S" ; chebi:inchi "InChI=1S/C22H24F2N2O6S/c1-33(29,30)26-14-3-5-19-16(7-14)17-8-15(31-20(11-27)22(17)32-19)9-21(28)25-10-12-6-13(23)2-4-18(12)24/h2-7,15,17,20,22,26-27H,8-11H2,1H3,(H,25,28)/t15-,17+,20-,22-/m1/s1" ; chebi:inchikey "IELDZLYSVNRCSJ-WEMWZYORSA-N" ; chebi:mass "482.499" ; chebi:monoisotopicmass "482.13231" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101425" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101426 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C31H35N3O3" ; chebi:inchi "InChI=1S/C31H35N3O3/c35-20-25-27-19-34-26(16-15-24(31(34)37)22-11-5-2-6-12-22)29(28(25)30(36)32-23-13-7-8-14-23)33(27)18-17-21-9-3-1-4-10-21/h1-6,9-12,15-16,23,25,27-29,35H,7-8,13-14,17-20H2,(H,32,36)/t25-,27-,28+,29+/m1/s1" ; chebi:inchikey "BONPOAJFWRGMIG-RXIOLPMVSA-N" ; chebi:mass "497.629" ; chebi:monoisotopicmass "497.26784" ; chebi:smiles "C1CCC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@@H]2N3CCC6=CC=CC=C6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101426" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12789" . obo:CHEBI_101427 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33FN2O5S" ; chebi:inchi "InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-37-28(20)17-31(3)38(35,36)24-11-8-10-23(30)15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21+,28+/m0/s1" ; chebi:inchikey "APRVPIVHITUHLQ-BALWLHIASA-N" ; chebi:mass "540.648" ; chebi:monoisotopicmass "540.20942" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101427" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12790" . obo:CHEBI_101428 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H35N3O7S" ; chebi:inchi "InChI=1S/C31H35N3O7S/c1-20-8-12-24(13-9-20)42(37,38)33-22-10-15-28-25(16-22)31(36)34(2)26-14-11-23(41-29(26)19-40-28)17-30(35)32-18-21-6-4-5-7-27(21)39-3/h4-10,12-13,15-16,23,26,29,33H,11,14,17-19H2,1-3H3,(H,32,35)/t23-,26-,29+/m0/s1" ; chebi:inchikey "GYVRMNXHBKDJFJ-RSRUXJMGSA-N" ; chebi:mass "593.693" ; chebi:monoisotopicmass "593.21957" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@H](O4)CC(=O)NCC5=CC=CC=C5OC)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101428" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101429 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C29H32ClN5O6" ; chebi:inchi "InChI=1S/C29H32ClN5O6/c1-16-27(17(2)41-34-16)33-29(38)32-20-8-11-24-22(12-20)28(37)35(3)23-10-9-21(40-25(23)15-39-24)13-26(36)31-14-18-4-6-19(30)7-5-18/h4-8,11-12,21,23,25H,9-10,13-15H2,1-3H3,(H,31,36)(H2,32,33,38)/t21-,23+,25+/m0/s1" ; chebi:inchikey "VDMGESCZGFUZFC-QQKQFIJSSA-N" ; chebi:mass "582.048" ; chebi:monoisotopicmass "581.20411" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@H](O4)CC(=O)NCC5=CC=C(C=C5)Cl)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101429" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_101430 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c33-16-27-29-23(14-21(38-27)15-28(34)31-11-10-18-4-2-1-3-5-18)22-13-20(7-9-24(22)39-29)32-30(35)19-6-8-25-26(12-19)37-17-36-25/h1-9,12-13,21,23,27,29,33H,10-11,14-17H2,(H,31,34)(H,32,35)/t21-,23-,27-,29+/m0/s1" ; chebi:inchikey "WERZBRNJFLNQTM-AVRHNVJQSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCCC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101430" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101431 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31F3N2O4S" ; chebi:inchi "InChI=1S/C23H31F3N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17-,23+/m0/s1" ; chebi:inchikey "HABLAPXLJDLSLY-HKARXFIJSA-N" ; chebi:mass "488.565" ; chebi:monoisotopicmass "488.19566" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101431" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101432 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23665 ; rdfs:subClassOf obo:CHEBI_50996 ; chebi:charge "0" ; chebi:formula "C33H41N5O5" ; chebi:inchi "InChI=1S/C33H41N5O5/c1-23-19-38(24(2)21-39)32(40)29-11-7-6-10-28(29)27-9-5-4-8-25(27)22-43-30(23)20-36(3)33(41)35-26-12-13-34-31(18-26)37-14-16-42-17-15-37/h4-13,18,23-24,30,39H,14-17,19-22H2,1-3H3,(H,34,35,41)/t23-,24-,30+/m1/s1" ; chebi:inchikey "IOQJCBWFRPGQBJ-ZLRJYYBNSA-N" ; chebi:mass "587.710" ; chebi:monoisotopicmass "587.31077" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC(=NC=C4)N5CCOCC5)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101432" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12795" . obo:CHEBI_101433 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C31H37N3O4S" ; chebi:inchi "InChI=1S/C31H37N3O4S/c1-6-9-21-10-7-12-23(16-21)29-28-24(20-34(27(28)14-15-35)39(37)31(2,3)4)18-26(33-29)30(36)32-19-22-11-8-13-25(17-22)38-5/h6-13,16-18,27,35H,14-15,19-20H2,1-5H3,(H,32,36)/t27-,39-/m0/s1" ; chebi:inchikey "NHZALIQGAPONCQ-XGFTYPEHSA-N" ; chebi:mass "547.710" ; chebi:monoisotopicmass "547.25048" ; chebi:smiles "CC=CC1=CC=CC(=C1)C2=C3[C@@H](N(CC3=CC(=N2)C(=O)NCC4=CC(=CC=C4)OC)[S@@](=O)C(C)(C)C)CCO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101433" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12796" . obo:CHEBI_101434 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H15FN2O2" ; chebi:inchi "InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16-,17-/m1/s1" ; chebi:inchikey "BPKNALSRVQDTLI-BRWVUGGUSA-N" ; chebi:mass "310.323" ; chebi:monoisotopicmass "310.11176" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@H](N([C@@H]2C#N)C(=O)C3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101434" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_101435 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H37N3O5" ; chebi:inchi "InChI=1S/C29H37N3O5/c1-18(19-8-4-2-5-9-19)30-27(34)16-22-15-24-23-14-21(32-29(35)31-20-10-6-3-7-11-20)12-13-25(23)37-28(24)26(17-33)36-22/h2,4-5,8-9,12-14,18,20,22,24,26,28,33H,3,6-7,10-11,15-17H2,1H3,(H,30,34)(H2,31,32,35)/t18-,22+,24+,26-,28-/m0/s1" ; chebi:inchikey "CGDALBMFLMENHX-WOADYHPTSA-N" ; chebi:mass "507.622" ; chebi:monoisotopicmass "507.27332" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101435" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101436 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H34N2O6" ; chebi:inchi "InChI=1S/C31H34N2O6/c34-25-17-33(16-21-6-13-28-29(14-21)38-20-37-28)27-12-11-26(39-30(27)19-36-18-25)15-31(35)32-24-9-7-23(8-10-24)22-4-2-1-3-5-22/h1-10,13-14,25-27,30,34H,11-12,15-20H2,(H,32,35)/t25-,26+,27+,30-/m0/s1" ; chebi:inchikey "OJBHRHOQEWVARJ-TXQUNOLYSA-N" ; chebi:mass "530.613" ; chebi:monoisotopicmass "530.24169" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC4=C(C=C3)OCO4)O)O[C@H]1CC(=O)NC5=CC=C(C=C5)C6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101436" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101437 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O5S2" ; chebi:inchi "InChI=1S/C22H32N4O5S2/c1-15-11-26(13-21-23-8-9-32-21)16(2)14-31-19-10-17(24-33(5,28)29)6-7-18(19)22(27)25(3)12-20(15)30-4/h6-10,15-16,20,24H,11-14H2,1-5H3/t15-,16+,20-/m0/s1" ; chebi:inchikey "ILRMXYQNFGXKSX-YRNRMSPPSA-N" ; chebi:mass "496.646" ; chebi:monoisotopicmass "496.18141" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101437" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101438 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O4" ; chebi:inchi "InChI=1S/C26H36N4O4/c1-6-25(31)28-21-7-8-23-22(13-21)26(32)29(4)16-24(33-5)18(2)14-30(19(3)17-34-23)15-20-9-11-27-12-10-20/h7-13,18-19,24H,6,14-17H2,1-5H3,(H,28,31)/t18-,19-,24-/m0/s1" ; chebi:inchikey "AICRRUIGWBNRBB-JXQFQVJHSA-N" ; chebi:mass "468.589" ; chebi:monoisotopicmass "468.27366" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101438" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_101439 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H29N3O5" ; chebi:inchi "InChI=1S/C20H29N3O5/c1-23(2)12-20(26)22-16-9-8-15(28-18(16)13-24)10-19(25)21-11-14-6-4-5-7-17(14)27-3/h4-9,15-16,18,24H,10-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,18-/m1/s1" ; chebi:inchikey "YJKUDHPPBXQQCK-SOLBZPMBSA-N" ; chebi:mass "391.462" ; chebi:monoisotopicmass "391.21072" ; chebi:smiles "CN(C)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1CO)CC(=O)NCC2=CC=CC=C2OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101439" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_10144 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C6H10N2O2SR2" ; chebi:mass "174.222" ; chebi:monoisotopicmass "174.04630" ; chebi:smiles "CSCC[C@H](NC([*])=O)C(=O)N[*]" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10144" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Cytochrome c] S-methionine" . obo:CHEBI_101440 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-16-32(21(2)18-33)28(34)25-13-8-7-12-24(25)23-11-6-5-10-22(23)19-36-27(20)17-31(4)29(35)26-14-9-15-30(26)3/h5-8,10-13,20-21,26-27,33H,9,14-19H2,1-4H3/t20-,21-,26-,27+/m0/s1" ; chebi:inchikey "PIMBJQHAALXIRA-LKSLQULUSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H]4CCCN4C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101440" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12803" . obo:CHEBI_101441 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C21H24N2O4" ; chebi:inchi "InChI=1S/C21H24N2O4/c1-27-21(26)19-15(13-24)17-12-23-16(8-5-9-18(23)25)20(19)22(17)11-10-14-6-3-2-4-7-14/h2-9,15,17,19-20,24H,10-13H2,1H3/t15-,17-,19+,20+/m0/s1" ; chebi:inchikey "YMDLGNDEUAJUCM-SMMRIJLZSA-N" ; chebi:mass "368.427" ; chebi:monoisotopicmass "368.17361" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=O)C=CC=C3[C@H]1N2CCC4=CC=CC=C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101441" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12804" . obo:CHEBI_101442 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C22H31FN2O4" ; chebi:inchi "InChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18+,20+,21-/m0/s1" ; chebi:inchikey "LTCDBOWOUBSGLM-ZSXPUABSSA-N" ; chebi:mass "406.492" ; chebi:monoisotopicmass "406.22679" ; chebi:smiles "C1CC(C1)NC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC=CC=C4F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101442" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_101443 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35FN4O5" ; chebi:inchi "InChI=1S/C27H35FN4O5/c1-6-25(33)29-19-11-12-23-20(13-19)26(34)31(4)15-24(36-5)17(2)14-32(18(3)16-37-23)27(35)30-22-10-8-7-9-21(22)28/h7-13,17-18,24H,6,14-16H2,1-5H3,(H,29,33)(H,30,35)/t17-,18-,24-/m1/s1" ; chebi:inchikey "RUAQTZPJPSJOEM-QZTZHPFYSA-N" ; chebi:mass "514.590" ; chebi:monoisotopicmass "514.25915" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)NC3=CC=CC=C3F)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101443" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8S)-N-(2-fluorophenyl)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxopropylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_101444 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18+,19-,20+/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-NMLACTOBSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101444" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_101445 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H42N4O4S" ; chebi:inchi "InChI=1S/C34H42N4O4S/c1-34(2,3)43(42)38-21-26-20-28(32(40)35-27-11-6-7-12-27)36-31(30(26)29(38)17-18-39)25-10-8-9-24(19-25)22-13-15-23(16-14-22)33(41)37(4)5/h8-10,13-16,19-20,27,29,39H,6-7,11-12,17-18,21H2,1-5H3,(H,35,40)/t29-,43-/m1/s1" ; chebi:inchikey "BQTKZBMOPJVAHJ-WXTZLZKPSA-N" ; chebi:mass "602.789" ; chebi:monoisotopicmass "602.29268" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NC5CCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101445" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclopentyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101446 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C34H36F2N4O5" ; chebi:inchi "InChI=1S/C34H36F2N4O5/c1-39-29-11-9-25(17-32(41)37-24-13-14-40(19-24)18-21-5-3-2-4-6-21)45-31(29)20-44-30-12-8-23(16-26(30)34(39)43)38-33(42)22-7-10-27(35)28(36)15-22/h2-8,10,12,15-16,24-25,29,31H,9,11,13-14,17-20H2,1H3,(H,37,41)(H,38,42)/t24-,25+,29+,31-/m0/s1" ; chebi:inchikey "UWMJOJNRDSZDAZ-BANSWPFGSA-N" ; chebi:mass "618.672" ; chebi:monoisotopicmass "618.26538" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101446" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_101447 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H33N3O6" ; chebi:inchi "InChI=1S/C26H33N3O6/c1-29(2)14-25(32)28-17-8-9-22-19(10-17)20-11-18(34-23(15-30)26(20)35-22)12-24(31)27-13-16-6-4-5-7-21(16)33-3/h4-10,18,20,23,26,30H,11-15H2,1-3H3,(H,27,31)(H,28,32)/t18-,20-,23+,26+/m0/s1" ; chebi:inchikey "YCZDHCVCWSKGTE-DOYXTRFRSA-N" ; chebi:mass "483.558" ; chebi:monoisotopicmass "483.23694" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=C4OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101447" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101448 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-17(27-23(29)18-7-5-6-8-20(18)25)11-19(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16+,22-/m1/s1" ; chebi:inchikey "ULFQVHHILZHREN-ZMPRRUGASA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101448" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101449 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c31-15-23-25-21(12-19(34-23)13-24(32)28-14-16-7-9-27-10-8-16)20-11-18(5-6-22(20)35-25)30-26(33)29-17-3-1-2-4-17/h5-11,17,19,21,23,25,31H,1-4,12-15H2,(H,28,32)(H2,29,30,33)/t19-,21-,23-,25+/m0/s1" ; chebi:inchikey "CSQKNNUUWCECGY-YALMDMJRSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101449" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide" . obo:CHEBI_101450 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C32H35N5O3S" ; chebi:inchi "InChI=1S/C32H35N5O3S/c1-32(2,3)41(40)37-21-26-20-27(31(39)35-17-9-22-7-13-33-14-8-22)36-30(29(26)28(37)12-18-38)25-6-4-5-24(19-25)23-10-15-34-16-11-23/h4-8,10-11,13-16,19-20,28,38H,9,12,17-18,21H2,1-3H3,(H,35,39)/t28-,41-/m1/s1" ; chebi:inchikey "UNXBJJPJSXSVQI-GIEABIOQSA-N" ; chebi:mass "569.719" ; chebi:monoisotopicmass "569.24606" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101450" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101451 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c25-18-3-1-2-16(10-18)12-27-23(30)11-20-4-5-21-22(33-20)15-32-14-19(29)13-28(21)24(31)17-6-8-26-9-7-17/h1-3,6-10,19-22,29H,4-5,11-15H2,(H,27,30)/t19-,20+,21-,22+/m0/s1" ; chebi:inchikey "VWRSVZSWDSMGOW-LNRXMEIDSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC=NC=C3)O)O[C@H]1CC(=O)NCC4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101451" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_101452 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H28N2O8" ; chebi:inchi "InChI=1S/C25H28N2O8/c1-31-12-24(30)27-15-3-5-19-17(7-15)18-8-16(34-22(11-28)25(18)35-19)9-23(29)26-10-14-2-4-20-21(6-14)33-13-32-20/h2-7,16,18,22,25,28H,8-13H2,1H3,(H,26,29)(H,27,30)/t16-,18-,22-,25+/m0/s1" ; chebi:inchikey "ZGEAGHWTKPKCOK-ZRIJYVCPSA-N" ; chebi:mass "484.499" ; chebi:monoisotopicmass "484.18457" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101452" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_101453 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21-,22-,27+/m0/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-GHIUXRNCSA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@@H](C)C(C)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101453" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12816" . obo:CHEBI_101454 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H32N4O5S" ; chebi:inchi "InChI=1S/C29H32N4O5S/c1-33-24-6-5-21(16-27(34)31-13-10-19-8-11-30-12-9-19)38-26(24)18-37-25-7-4-20(15-23(25)29(33)36)32-28(35)17-22-3-2-14-39-22/h2-4,7-9,11-12,14-15,21,24,26H,5-6,10,13,16-18H2,1H3,(H,31,34)(H,32,35)/t21-,24+,26-/m0/s1" ; chebi:inchikey "OJLJDVMGKDSXAU-NZJKTDFXSA-N" ; chebi:mass "548.655" ; chebi:monoisotopicmass "548.20934" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101454" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101455 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H34N2O6" ; chebi:inchi "InChI=1S/C29H34N2O6/c32-17-26-28-24(14-22(36-26)15-27(33)31-10-7-18-3-1-2-4-20(18)16-31)23-13-21(5-6-25(23)37-28)30-29(34)19-8-11-35-12-9-19/h1-6,13,19,22,24,26,28,32H,7-12,14-17H2,(H,30,34)/t22-,24-,26+,28+/m1/s1" ; chebi:inchikey "AJGJMULVCJFZBU-GJPOJPNFSA-N" ; chebi:mass "506.591" ; chebi:monoisotopicmass "506.24169" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101455" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101456 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21-,23-,25+,27+/m1/s1" ; chebi:inchikey "SNGIXDWGPLKZOT-QURKWHOCSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101456" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101457 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18+,20+,21-/m1/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-WUHBCXKYSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101457" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101458 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H26N4O3" ; chebi:inchi "InChI=1S/C25H26N4O3/c1-2-28-21-14-29-20(9-8-18(25(29)32)16-10-12-26-13-11-16)23(28)22(19(21)15-30)24(31)27-17-6-4-3-5-7-17/h3-13,19,21-23,30H,2,14-15H2,1H3,(H,27,31)/t19-,21-,22+,23+/m1/s1" ; chebi:inchikey "OPFBOJMKCVWWQL-LGKPFJOYSA-N" ; chebi:mass "430.500" ; chebi:monoisotopicmass "430.20049" ; chebi:smiles "CCN1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)NC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101458" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12821" . obo:CHEBI_101459 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33N3O6S" ; chebi:inchi "InChI=1S/C23H33N3O6S/c1-26-19-10-9-17(13-22(27)24-15-6-4-3-5-7-15)32-21(19)14-31-20-11-8-16(25-33(2,29)30)12-18(20)23(26)28/h8,11-12,15,17,19,21,25H,3-7,9-10,13-14H2,1-2H3,(H,24,27)/t17-,19-,21-/m0/s1" ; chebi:inchikey "VOOHCFNIWPJMMM-CUWPLCDZSA-N" ; chebi:mass "479.592" ; chebi:monoisotopicmass "479.20901" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101459" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-cyclohexylacetamide" . obo:CHEBI_101460 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H23N3O4S" ; chebi:inchi "InChI=1S/C21H23N3O4S/c1-23(2)21(26)17-10-6-15(7-11-17)14-4-8-16(9-5-14)20-18(12-22)24(19(20)13-25)29(3,27)28/h4-11,18-20,25H,13H2,1-3H3/t18-,19+,20+/m1/s1" ; chebi:inchikey "DINYZOMRIFESDL-AABGKKOBSA-N" ; chebi:mass "413.492" ; chebi:monoisotopicmass "413.14093" ; chebi:smiles "CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)S(=O)(=O)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101460" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[4-[(2S,3S,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_101461 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H38N4O4" ; chebi:inchi "InChI=1S/C20H38N4O4/c1-15(2)22-20(27)21-10-8-16-6-7-17(18(14-25)28-16)23-19(26)9-13-24-11-4-3-5-12-24/h15-18,25H,3-14H2,1-2H3,(H,23,26)(H2,21,22,27)/t16-,17-,18-/m1/s1" ; chebi:inchikey "JVYCUASVIANWPE-KZNAEPCWSA-N" ; chebi:mass "398.541" ; chebi:monoisotopicmass "398.28931" ; chebi:smiles "CC(C)NC(=O)NCC[C@H]1CC[C@H]([C@H](O1)CO)NC(=O)CCN2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101461" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_101462 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-17-14-31(27(34)22-7-5-6-12-28-22)18(2)16-36-23-13-20(29-25(32)19-8-9-19)10-11-21(23)26(33)30(3)15-24(17)35-4/h5-7,10-13,17-19,24H,8-9,14-16H2,1-4H3,(H,29,32)/t17-,18+,24+/m0/s1" ; chebi:inchikey "ICZJHRYDJKYLQD-HOOSLVGPSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101462" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101463 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H36N4O3S" ; chebi:inchi "InChI=1S/C32H36N4O3S/c1-32(2,3)40(39)36-21-26-19-27(31(38)35-14-5-4-6-15-35)34-30(29(26)28(36)13-16-37)25-12-8-11-24(18-25)23-10-7-9-22(17-23)20-33/h7-12,17-19,28,37H,4-6,13-16,21H2,1-3H3/t28-,40-/m0/s1" ; chebi:inchikey "QJZRVXNBJYVZFW-KJKFISAKSA-N" ; chebi:mass "556.721" ; chebi:monoisotopicmass "556.25081" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101463" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile" . obo:CHEBI_101464 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H29N3O6S" ; chebi:inchi "InChI=1S/C22H29N3O6S/c1-30-20-10-6-5-9-18(20)24-22(27)25-19-12-11-16(31-21(19)15-26)13-14-23-32(28,29)17-7-3-2-4-8-17/h2-10,16,19,21,23,26H,11-15H2,1H3,(H2,24,25,27)/t16-,19+,21+/m1/s1" ; chebi:inchikey "XDPGLRIFEVLTPI-PBEJRMEISA-N" ; chebi:mass "463.549" ; chebi:monoisotopicmass "463.17771" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101464" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6R)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_101465 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C19H19N3O3" ; chebi:inchi "InChI=1S/C19H19N3O3/c1-25-12-18(24)22-16(9-20)19(17(22)11-23)14-6-4-13(5-7-14)15-3-2-8-21-10-15/h2-8,10,16-17,19,23H,11-12H2,1H3/t16-,17+,19+/m1/s1" ; chebi:inchikey "NONDGOMIDWLUNU-AOIWGVFYSA-N" ; chebi:mass "337.373" ; chebi:monoisotopicmass "337.14264" ; chebi:smiles "COCC(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CN=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101465" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_101466 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34F3N3O4" ; chebi:inchi "InChI=1S/C24H34F3N3O4/c1-15-12-30(10-9-24(25,26)27)16(2)14-34-20-8-7-18(28-22(31)17-5-6-17)11-19(20)23(32)29(3)13-21(15)33-4/h7-8,11,15-17,21H,5-6,9-10,12-14H2,1-4H3,(H,28,31)/t15-,16+,21-/m1/s1" ; chebi:inchikey "LPOPNFSKLDAMKV-VWKPWSFCSA-N" ; chebi:mass "485.541" ; chebi:monoisotopicmass "485.25014" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101466" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101467 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C31H30FN3O7" ; chebi:inchi "InChI=1S/C31H30FN3O7/c1-35-24-9-8-20(14-29(36)33-15-18-6-10-26-27(12-18)41-17-40-26)42-28(24)16-39-25-11-7-19(13-22(25)31(35)38)34-30(37)21-4-2-3-5-23(21)32/h2-7,10-13,20,24,28H,8-9,14-17H2,1H3,(H,33,36)(H,34,37)/t20-,24+,28-/m1/s1" ; chebi:inchikey "GPWYEVCXUJXIOI-MCQPEXAWSA-N" ; chebi:mass "575.585" ; chebi:monoisotopicmass "575.20678" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101467" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide" . obo:CHEBI_101468 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N5O5S" ; chebi:inchi "InChI=1S/C25H37N5O5S/c1-17-11-30(12-19-6-7-19)18(2)15-35-22-9-8-20(27-36(32,33)24-14-28(3)16-26-24)10-21(22)25(31)29(4)13-23(17)34-5/h8-10,14,16-19,23,27H,6-7,11-13,15H2,1-5H3/t17-,18+,23+/m1/s1" ; chebi:inchikey "QARSUPNDRVVANH-STSQHVNTSA-N" ; chebi:mass "519.659" ; chebi:monoisotopicmass "519.25154" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101468" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_101469 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C32H39N3O5" ; chebi:inchi "InChI=1S/C32H39N3O5/c1-22-18-35(23(2)20-36)31(37)29-12-8-7-11-28(29)27-10-6-5-9-25(27)21-40-30(22)19-34(3)32(38)33-17-24-13-15-26(39-4)16-14-24/h5-16,22-23,30,36H,17-21H2,1-4H3,(H,33,38)/t22-,23-,30+/m1/s1" ; chebi:inchikey "BRMWAKMKOMKLLH-JWUQWVJQSA-N" ; chebi:mass "545.670" ; chebi:monoisotopicmass "545.28897" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101469" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12832" . obo:CHEBI_101470 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-14(2)27-22(32)30-10-15(3)20(35-6)11-29(5)21(31)18-9-17(7-8-19(18)36-12-16(30)4)28-37(33,34)13-23(24,25)26/h7-9,14-16,20,28H,10-13H2,1-6H3,(H,27,32)/t15-,16-,20+/m0/s1" ; chebi:inchikey "XOJAHRJNCMVABE-TWOQFEAHSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101470" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_101471 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H33ClF3N3O3" ; chebi:inchi "InChI=1S/C25H33ClF3N3O3/c1-17(13-32(18(2)16-33)14-19-7-5-6-8-22(19)26)23(35-4)15-31(3)24(34)30-21-11-9-20(10-12-21)25(27,28)29/h5-12,17-18,23,33H,13-16H2,1-4H3,(H,30,34)/t17-,18-,23+/m0/s1" ; chebi:inchikey "NINYSMYJRLQSCV-IUKKYPGJSA-N" ; chebi:mass "515.997" ; chebi:monoisotopicmass "515.21625" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)C(F)(F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101471" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101472 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O6S" ; chebi:inchi "InChI=1S/C28H40N4O6S/c1-18(2)29-28(34)32-15-20(4)26(37-7)16-31(6)27(33)24-14-22(10-13-25(24)38-17-21(32)5)30-39(35,36)23-11-8-19(3)9-12-23/h8-14,18,20-21,26,30H,15-17H2,1-7H3,(H,29,34)/t20-,21+,26-/m1/s1" ; chebi:inchikey "AEHXNEHGWHBDEN-YZIHRLCOSA-N" ; chebi:mass "560.708" ; chebi:monoisotopicmass "560.26686" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101472" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_101473 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C20H27FN4O4" ; chebi:inchi "InChI=1S/C20H27FN4O4/c1-24-8-10-25(11-9-24)19(27)12-14-6-7-17(18(13-26)29-14)23-20(28)22-16-5-3-2-4-15(16)21/h2-7,14,17-18,26H,8-13H2,1H3,(H2,22,23,28)/t14-,17+,18-/m0/s1" ; chebi:inchikey "ZHYLMLAAZLDJNG-QGTPRVQTSA-N" ; chebi:mass "406.452" ; chebi:monoisotopicmass "406.20163" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)NC3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101473" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-fluorophenyl)-3-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea" . obo:CHEBI_101474 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-32-24-7-6-21(17-27(34)30-9-3-10-33-11-13-37-14-12-33)39-26(24)19-38-25-8-5-20(16-23(25)29(32)36)31-28(35)18-22-4-2-15-40-22/h2,4-5,8,15-16,21,24,26H,3,6-7,9-14,17-19H2,1H3,(H,30,34)(H,31,35)/t21-,24-,26-/m1/s1" ; chebi:inchikey "CJRLOTNMWBMMLN-YMVVMYQSSA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101474" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101475 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O3" ; chebi:inchi "InChI=1S/C27H36N2O3/c1-19-14-29(20(2)17-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-22(23)18-32-26(19)16-28(3)15-21-12-13-21/h4-11,19-21,26,30H,12-18H2,1-3H3/t19-,20-,26+/m0/s1" ; chebi:inchikey "XOTAGUVNSWBDBY-CUVVAGTFSA-N" ; chebi:mass "436.587" ; chebi:monoisotopicmass "436.27259" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4CC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101475" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12838" . obo:CHEBI_101476 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H35N3O5" ; chebi:inchi "InChI=1S/C31H35N3O5/c1-34(2)18-30(37)33-23-12-13-27-25(14-23)26-15-24(38-28(19-35)31(26)39-27)16-29(36)32-17-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-14,24,26,28,31,35H,15-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,28-,31+/m0/s1" ; chebi:inchikey "BRDKARYWUSDFKE-CWFQFANUSA-N" ; chebi:mass "529.628" ; chebi:monoisotopicmass "529.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101476" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_101477 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H37FN4O3S" ; chebi:inchi "InChI=1S/C31H37FN4O3S/c1-31(2,3)40(39)36-20-24-19-26(30(38)35-14-12-34(4)13-15-35)33-29(28(24)27(36)11-16-37)23-9-5-7-21(17-23)22-8-6-10-25(32)18-22/h5-10,17-19,27,37H,11-16,20H2,1-4H3/t27-,40?/m0/s1" ; chebi:inchikey "BKCTXULBENSKFX-OVCFAJSKSA-N" ; chebi:mass "564.716" ; chebi:monoisotopicmass "564.25704" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101477" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_101478 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H31N3O5S" ; chebi:inchi "InChI=1S/C19H31N3O5S/c1-13-10-21(3)14(2)12-27-17-8-7-15(20-28(6,24)25)9-16(17)19(23)22(4)11-18(13)26-5/h7-9,13-14,18,20H,10-12H2,1-6H3/t13-,14-,18-/m0/s1" ; chebi:inchikey "DDFPKKGQTCCPIA-DEYYWGMASA-N" ; chebi:mass "413.533" ; chebi:monoisotopicmass "413.19844" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101478" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101479 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H38N4O6" ; chebi:inchi "InChI=1S/C27H38N4O6/c1-29-9-11-31(12-10-29)25(32)16-20-4-5-22-24(37-20)17-36-23-6-3-19(15-21(23)27(34)30(22)2)28-26(33)18-7-13-35-14-8-18/h3,6,15,18,20,22,24H,4-5,7-14,16-17H2,1-2H3,(H,28,33)/t20-,22+,24+/m1/s1" ; chebi:inchikey "HKYXYLDUIXPRSO-SFLYRZDNSA-N" ; chebi:mass "514.615" ; chebi:monoisotopicmass "514.27913" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101479" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_101480 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-14(2)27-22(32)30-10-15(3)20(35-6)11-29(5)21(31)18-9-17(7-8-19(18)36-12-16(30)4)28-37(33,34)13-23(24,25)26/h7-9,14-16,20,28H,10-13H2,1-6H3,(H,27,32)/t15-,16-,20+/m1/s1" ; chebi:inchikey "XOJAHRJNCMVABE-QINHECLXSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101480" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_101481 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H29F2N5O4" ; chebi:inchi "InChI=1S/C24H29F2N5O4/c1-29(2)10-4-9-27-23(34)21-15(13-32)19-12-30-18(5-3-6-20(30)33)22(21)31(19)24(35)28-17-11-14(25)7-8-16(17)26/h3,5-8,11,15,19,21-22,32H,4,9-10,12-13H2,1-2H3,(H,27,34)(H,28,35)/t15-,19-,21+,22+/m1/s1" ; chebi:inchikey "CIBCEUNPWMQAQP-VVBCARDSSA-N" ; chebi:mass "489.516" ; chebi:monoisotopicmass "489.21876" ; chebi:smiles "CN(C)CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@@H]1N2C(=O)NC4=C(C=CC(=C4)F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101481" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12844" . obo:CHEBI_101482 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O6S" ; chebi:inchi "InChI=1S/C23H28N2O6S/c1-32(28,29)25-16-7-8-20-18(11-16)19-12-17(30-21(14-26)23(19)31-20)13-22(27)24-10-9-15-5-3-2-4-6-15/h2-8,11,17,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,19-,21-,23+/m1/s1" ; chebi:inchikey "TVZJESBMTOHXDE-LHWDRQQYSA-N" ; chebi:mass "460.545" ; chebi:monoisotopicmass "460.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101482" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_101483 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C26H36N2O3" ; chebi:inchi "InChI=1S/C26H36N2O3/c1-5-14-27(4)16-25-19(2)15-28(20(3)17-29)26(30)24-13-9-8-12-23(24)22-11-7-6-10-21(22)18-31-25/h6-13,19-20,25,29H,5,14-18H2,1-4H3/t19-,20+,25-/m1/s1" ; chebi:inchikey "ZBAWZCZLBCSXDL-OHUGHZGNSA-N" ; chebi:mass "424.577" ; chebi:monoisotopicmass "424.27259" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO1)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101483" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12846" . obo:CHEBI_101484 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O6" ; chebi:inchi "InChI=1S/C22H29Cl2N3O6/c23-14-7-15(24)9-16(8-14)25-22(30)27-11-17(28)12-32-13-20-19(27)2-1-18(33-20)10-21(29)26-3-5-31-6-4-26/h7-9,17-20,28H,1-6,10-13H2,(H,25,30)/t17-,18+,19+,20-/m0/s1" ; chebi:inchikey "IDLNHXHJUITYBI-NMLBUPMWSA-N" ; chebi:mass "502.389" ; chebi:monoisotopicmass "501.14334" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)NC3=CC(=CC(=C3)Cl)Cl)O)O[C@H]1CC(=O)N4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101484" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8R,10aR)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101485 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H36N4O6" ; chebi:inchi "InChI=1S/C32H36N4O6/c1-36-27-13-12-25(19-30(37)33-16-15-21-7-4-3-5-8-21)42-29(27)20-41-28-14-11-23(18-26(28)31(36)38)35-32(39)34-22-9-6-10-24(17-22)40-2/h3-11,14,17-18,25,27,29H,12-13,15-16,19-20H2,1-2H3,(H,33,37)(H2,34,35,39)/t25-,27+,29+/m0/s1" ; chebi:inchikey "UEIQSFPBDLFQGU-BOSLPAGOSA-N" ; chebi:mass "572.653" ; chebi:monoisotopicmass "572.26348" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)OC)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101485" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_101486 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31ClN2O6S" ; chebi:inchi "InChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20+,22-,23+/m1/s1" ; chebi:inchikey "JLFHHDVKVXKGLO-SKWRMQMOSA-N" ; chebi:mass "523.043" ; chebi:monoisotopicmass "522.15914" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101486" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_101487 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25+,28+,30-/m0/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-SQBQITNPSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101487" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_101488 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H35N5O6" ; chebi:inchi "InChI=1S/C27H35N5O6/c1-16-21(14-31(2)30-16)29-25(33)13-19-5-6-22-24(38-19)15-37-23-7-4-18(12-20(23)27(35)32(22)3)28-26(34)17-8-10-36-11-9-17/h4,7,12,14,17,19,22,24H,5-6,8-11,13,15H2,1-3H3,(H,28,34)(H,29,33)/t19-,22+,24-/m1/s1" ; chebi:inchikey "KFDLRFOLOVMTJG-WNOPAQSVSA-N" ; chebi:mass "525.598" ; chebi:monoisotopicmass "525.25873" ; chebi:smiles "CC1=NN(C=C1NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101488" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_101489 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H34F3N3O4" ; chebi:inchi "InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-41-28(20)17-36(3)30(40)35-24-11-8-10-23(15-24)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21+,28-/m0/s1" ; chebi:inchikey "HSJIFMVKIOATEF-GTNJKRJXSA-N" ; chebi:mass "569.616" ; chebi:monoisotopicmass "569.25014" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC(=C4)C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101489" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12852" . obo:CHEBI_101490 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O5" ; chebi:inchi "InChI=1S/C27H33F3N2O5/c28-27(29,30)12-13-32-16-20(33)17-35-18-25-24(32)11-10-23(37-25)14-26(34)31-15-19-6-8-22(9-7-19)36-21-4-2-1-3-5-21/h1-9,20,23-25,33H,10-18H2,(H,31,34)/t20-,23+,24+,25-/m1/s1" ; chebi:inchikey "HZAABOSBDYXUMN-AKAGGGOCSA-N" ; chebi:mass "522.558" ; chebi:monoisotopicmass "522.23416" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CCC(F)(F)F)O)O[C@@H]1CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101490" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_101491 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H31N3O5S" ; chebi:inchi "InChI=1S/C19H31N3O5S/c1-13-10-21(3)14(2)12-27-17-8-7-15(20-28(6,24)25)9-16(17)19(23)22(4)11-18(13)26-5/h7-9,13-14,18,20H,10-12H2,1-6H3/t13-,14-,18+/m1/s1" ; chebi:inchikey "DDFPKKGQTCCPIA-LBTNJELSSA-N" ; chebi:mass "413.533" ; chebi:monoisotopicmass "413.19844" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101491" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101492 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O5" ; chebi:inchi "InChI=1S/C23H35N3O5/c1-7-21(27)24-17-9-10-19-18(11-17)23(29)25(5)13-20(30-6)15(3)12-26(22(28)8-2)16(4)14-31-19/h9-11,15-16,20H,7-8,12-14H2,1-6H3,(H,24,27)/t15-,16+,20-/m1/s1" ; chebi:inchikey "ILJGMXMVVDGLNM-GQIGUUNPSA-N" ; chebi:mass "433.542" ; chebi:monoisotopicmass "433.25767" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101492" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_101493 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H30FN3O4" ; chebi:inchi "InChI=1S/C21H30FN3O4/c22-16-5-3-4-15(12-16)21(28)24-18-7-6-17(29-19(18)14-26)13-20(27)23-8-11-25-9-1-2-10-25/h3-5,12,17-19,26H,1-2,6-11,13-14H2,(H,23,27)(H,24,28)/t17-,18+,19-/m1/s1" ; chebi:inchikey "DCVAKYLGJMAIQD-CEXWTWQISA-N" ; chebi:mass "407.480" ; chebi:monoisotopicmass "407.22203" ; chebi:smiles "C1CCN(C1)CCNC(=O)C[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101493" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-pyrrolidinyl)ethylamino]ethyl]-3-oxanyl]benzamide" . obo:CHEBI_101494 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25ClN2O6" ; chebi:inchi "InChI=1S/C24H25ClN2O6/c1-27-19-8-7-17(12-22(28)31-2)33-21(19)13-32-20-9-6-16(11-18(20)24(27)30)26-23(29)14-4-3-5-15(25)10-14/h3-6,9-11,17,19,21H,7-8,12-13H2,1-2H3,(H,26,29)/t17-,19+,21-/m0/s1" ; chebi:inchikey "PZXWXIAUASIELU-DSKINZAPSA-N" ; chebi:mass "472.919" ; chebi:monoisotopicmass "472.14011" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101494" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101495 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C34H36F2N4O5" ; chebi:inchi "InChI=1S/C34H36F2N4O5/c1-39-29-11-9-25(17-32(41)37-24-13-14-40(19-24)18-21-5-3-2-4-6-21)45-31(29)20-44-30-12-8-23(16-26(30)34(39)43)38-33(42)22-7-10-27(35)28(36)15-22/h2-8,10,12,15-16,24-25,29,31H,9,11,13-14,17-20H2,1H3,(H,37,41)(H,38,42)/t24-,25-,29+,31-/m1/s1" ; chebi:inchikey "UWMJOJNRDSZDAZ-HZBLSIGESA-N" ; chebi:mass "618.672" ; chebi:monoisotopicmass "618.26538" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101495" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_101496 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20+,21+,22-/m0/s1" ; chebi:inchikey "XYLRKRISJMFHFX-GMOZNSKDSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101496" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12859" . obo:CHEBI_101497 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H23F2N3O6" ; chebi:inchi "InChI=1S/C23H23F2N3O6/c24-14-2-4-16(25)18(8-14)28-23(31)27-17-5-3-15(34-21(17)11-29)9-22(30)26-10-13-1-6-19-20(7-13)33-12-32-19/h1-8,15,17,21,29H,9-12H2,(H,26,30)(H2,27,28,31)/t15-,17-,21-/m1/s1" ; chebi:inchikey "VZUMNNKKGVSTKF-QLVMHMETSA-N" ; chebi:mass "475.443" ; chebi:monoisotopicmass "475.15549" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)CNC(=O)C[C@H]3C=C[C@H]([C@H](O3)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101497" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,3R,6S)-3-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101498 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C31H36N2O4" ; chebi:inchi "InChI=1S/C31H36N2O4/c1-22-18-33(23(2)20-34)31(36)28-16-10-9-15-27(28)26-14-8-7-13-25(26)21-37-29(22)19-32(3)30(35)17-24-11-5-4-6-12-24/h4-16,22-23,29,34H,17-21H2,1-3H3/t22-,23-,29-/m1/s1" ; chebi:inchikey "VEXUQYCDGUTBQK-VDWGHMIBSA-N" ; chebi:mass "500.630" ; chebi:monoisotopicmass "500.26751" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CC4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101498" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12861" . obo:CHEBI_101499 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-9-8-19(11-20(21)23(30)29(3)13-22(15)32-4)28-24(31)27-18-7-5-6-17(25)10-18/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16+,22+/m1/s1" ; chebi:inchikey "WJKSFTDVZIMVMK-VVBPWWLESA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101499" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_1015 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33557 . _:b172 rdf:type owl:Restriction . obo:CHEBI_1015 rdfs:subClassOf _:b172 . _:b172 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_15942 . obo:CHEBI_1015 obo:IAO_0000115 "An aminobenzenesulfonic acid carrying an amino group at position 2." ; chebi:charge "0" ; chebi:formula "C6H7NO3S" ; chebi:inchi "InChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)" ; chebi:inchikey "ZMCHBSMFKQYNKA-UHFFFAOYSA-N" ; chebi:mass "173.19072" ; chebi:monoisotopicmass "173.01466" ; chebi:smiles "Nc1ccccc1S(O)(=O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:1015" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "2-aminobenzenesulfonic acid" . obo:CHEBI_10150 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26267 ; rdfs:subClassOf obo:CHEBI_72010 . _:b173 rdf:type owl:Restriction . obo:CHEBI_10150 rdfs:subClassOf _:b173 . _:b173 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . obo:CHEBI_10150 obo:IAO_0000115 "A proanthocyanidin isolated from Cinnamomum cassia." ; chebi:charge "0" ; chebi:formula "C90H74O36" ; chebi:inchi "InChI=1S/C90H74O36/c91-33-19-48(105)60-59(20-33)121-81(28-2-8-36(93)43(100)14-28)75(116)70(60)62-50(107)23-52(109)64-72(77(118)83(123-87(62)64)30-4-10-38(95)45(102)16-30)66-54(111)25-56(113)68-74(79(120)85(125-89(66)68)32-6-12-40(97)47(104)18-32)69-57(114)26-55(112)67-73(78(119)84(126-90(67)69)31-5-11-39(96)46(103)17-31)65-53(110)24-51(108)63-71(76(117)82(124-88(63)65)29-3-9-37(94)44(101)15-29)61-49(106)22-41(98)34-21-58(115)80(122-86(34)61)27-1-7-35(92)42(99)13-27/h1-20,22-26,58,70-85,91-120H,21H2/t58-,70-,71+,72-,73+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m1/s1" ; chebi:inchikey "UUOWTYGESRVWCF-WKWFDMPLSA-N" ; chebi:mass "1731.52900" ; chebi:monoisotopicmass "1730.39598" ; chebi:smiles "O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc(O)c4[C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc(O)c4[C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6c([C@@H]7[C@@H](O)[C@H](Oc8cc(O)cc(O)c78)c7ccc(O)c(O)c7)c(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10150" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "[epicatechin-(4beta->8)]5-epicatechin" . obo:CHEBI_101500 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H34N4O6S" ; chebi:inchi "InChI=1S/C30H34N4O6S/c1-20-3-7-24(8-4-20)41(37,38)33-22-5-10-27-25(17-22)30(36)34(2)26-9-6-23(40-28(26)19-39-27)18-29(35)32-16-13-21-11-14-31-15-12-21/h3-5,7-8,10-12,14-15,17,23,26,28,33H,6,9,13,16,18-19H2,1-2H3,(H,32,35)/t23-,26-,28+/m1/s1" ; chebi:inchikey "KPGMTKVYFCJESC-RJRADHEHSA-N" ; chebi:mass "578.681" ; chebi:monoisotopicmass "578.21991" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)NCCC5=CC=NC=C5)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101500" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101501 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H29N3O5" ; chebi:inchi "InChI=1S/C20H29N3O5/c1-23(2)12-20(26)22-16-9-8-15(28-18(16)13-24)10-19(25)21-11-14-6-4-5-7-17(14)27-3/h4-9,15-16,18,24H,10-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16-,18+/m0/s1" ; chebi:inchikey "YJKUDHPPBXQQCK-XYJFISCASA-N" ; chebi:mass "391.462" ; chebi:monoisotopicmass "391.21072" ; chebi:smiles "CN(C)CC(=O)N[C@H]1C=C[C@H](O[C@@H]1CO)CC(=O)NCC2=CC=CC=C2OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101501" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101502 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O6" ; chebi:inchi "InChI=1S/C22H29Cl2N3O6/c23-14-7-15(24)9-16(8-14)25-22(30)27-11-17(28)12-32-13-20-19(27)2-1-18(33-20)10-21(29)26-3-5-31-6-4-26/h7-9,17-20,28H,1-6,10-13H2,(H,25,30)/t17-,18-,19+,20-/m0/s1" ; chebi:inchikey "IDLNHXHJUITYBI-HAGHYFMRSA-N" ; chebi:mass "502.389" ; chebi:monoisotopicmass "501.14334" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)NC3=CC(=CC(=C3)Cl)Cl)O)O[C@@H]1CC(=O)N4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101502" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101503 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C23H24FN3O3" ; chebi:inchi "InChI=1S/C23H24FN3O3/c24-19-3-1-2-18(12-19)16-4-6-17(7-5-16)23-20(13-25)27(21(23)15-28)22(29)14-26-8-10-30-11-9-26/h1-7,12,20-21,23,28H,8-11,14-15H2/t20-,21-,23+/m0/s1" ; chebi:inchikey "DLEHFJVYHARQFS-QNWVGRARSA-N" ; chebi:mass "409.454" ; chebi:monoisotopicmass "409.18017" ; chebi:smiles "C1COCCN1CC(=O)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101503" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-1-[2-(4-morpholinyl)-1-oxoethyl]-2-azetidinecarbonitrile" . obo:CHEBI_101504 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34FN3O5" ; chebi:inchi "InChI=1S/C27H34FN3O5/c1-6-25(32)29-21-11-12-22-23(13-21)36-16-18(3)31(26(33)19-7-9-20(28)10-8-19)14-17(2)24(35-5)15-30(4)27(22)34/h7-13,17-18,24H,6,14-16H2,1-5H3,(H,29,32)/t17-,18+,24+/m1/s1" ; chebi:inchikey "DLQPGZNWCDDUSB-YTZAWJCFSA-N" ; chebi:mass "499.575" ; chebi:monoisotopicmass "499.24825" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)C(=O)C3=CC=C(C=C3)F)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101504" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-[(4-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_101505 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H33N3O5" ; chebi:inchi "InChI=1S/C23H33N3O5/c1-25(2)13-21(28)24-15-6-7-19-17(10-15)18-11-16(30-20(14-27)23(18)31-19)12-22(29)26-8-4-3-5-9-26/h6-7,10,16,18,20,23,27H,3-5,8-9,11-14H2,1-2H3,(H,24,28)/t16-,18-,20+,23+/m1/s1" ; chebi:inchikey "MRLAOALNSBFOMY-DUCQWWKISA-N" ; chebi:mass "431.526" ; chebi:monoisotopicmass "431.24202" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)N4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101505" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide" . obo:CHEBI_101506 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H30F3N3O5" ; chebi:inchi "InChI=1S/C30H30F3N3O5/c1-17(18-5-3-2-4-6-18)34-27(38)15-22-14-24-23-13-21(11-12-25(23)41-28(24)26(16-37)40-22)36-29(39)35-20-9-7-19(8-10-20)30(31,32)33/h2-13,17,22,24,26,28,37H,14-16H2,1H3,(H,34,38)(H2,35,36,39)/t17-,22-,24-,26+,28+/m0/s1" ; chebi:inchikey "HZCFRKFPOJNJBV-IFGFJRRUSA-N" ; chebi:mass "569.573" ; chebi:monoisotopicmass "569.21376" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101506" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101507 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C35H44N4O4S" ; chebi:inchi "InChI=1S/C35H44N4O4S/c1-35(2,3)44(43)39-22-27-21-29(33(41)36-28-12-7-6-8-13-28)37-32(31(27)30(39)18-19-40)26-11-9-10-25(20-26)23-14-16-24(17-15-23)34(42)38(4)5/h9-11,14-17,20-21,28,30,40H,6-8,12-13,18-19,22H2,1-5H3,(H,36,41)/t30-,44-/m1/s1" ; chebi:inchikey "BMIDXELBLGAQFU-FSZSIQPOSA-N" ; chebi:mass "616.816" ; chebi:monoisotopicmass "616.30833" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101507" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101508 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C25H25N3O4" ; chebi:inchi "InChI=1S/C25H25N3O4/c1-32-25(31)23-20(15-29)19-14-27-21(22(19)28(23)13-17-9-5-6-12-26-17)11-10-18(24(27)30)16-7-3-2-4-8-16/h2-12,19-20,22-23,29H,13-15H2,1H3/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "HHLLHWFWRSRSTM-RLBLXZPPSA-N" ; chebi:mass "431.485" ; chebi:monoisotopicmass "431.18451" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]2N1CC5=CC=CC=N5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101508" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-7-phenyl-1-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_101509 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN4O5" ; chebi:inchi "InChI=1S/C21H27FN4O5/c1-12-19(13(2)31-26-12)25-21(29)23-10-9-16-7-8-17(18(11-27)30-16)24-20(28)14-3-5-15(22)6-4-14/h3-6,16-18,27H,7-11H2,1-2H3,(H,24,28)(H2,23,25,29)/t16-,17+,18+/m1/s1" ; chebi:inchikey "VZLRHERICGIZBB-SQNIBIBYSA-N" ; chebi:mass "434.462" ; chebi:monoisotopicmass "434.19655" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NCC[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101509" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide" . obo:CHEBI_10151 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_28407 ; chebi:formula "C55H91O7P2(C40H64N8O21)n" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10151" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "undecaprenyldiphospho-[N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-gamma-D-glutaminyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine]n" . obo:CHEBI_101510 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H30N2O7" ; chebi:inchi "InChI=1S/C29H30N2O7/c32-17-27-24(31-29(34)20-8-13-25-26(14-20)36-18-35-25)12-11-23(38-27)15-28(33)30-16-19-6-9-22(10-7-19)37-21-4-2-1-3-5-21/h1-10,13-14,23-24,27,32H,11-12,15-18H2,(H,30,33)(H,31,34)/t23-,24+,27+/m0/s1" ; chebi:inchikey "IKYPBPDRSBKALY-CLCZQPDDSA-N" ; chebi:mass "518.559" ; chebi:monoisotopicmass "518.20530" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101510" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101511 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-10-6-8-19(24)12-21)22(32-4)14-25(3)33(28,29)20-9-5-7-18(23)11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22-/m1/s1" ; chebi:inchikey "WFGAJOALFFTPKS-HYFFOGBASA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101511" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3R)-4-[(3-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_101512 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O7" ; chebi:inchi "InChI=1S/C23H34N4O7/c28-14-21-18(26-23(30)25-16-2-5-19-20(12-16)33-15-32-19)4-3-17(34-21)13-22(29)24-6-1-7-27-8-10-31-11-9-27/h2,5,12,17-18,21,28H,1,3-4,6-11,13-15H2,(H,24,29)(H2,25,26,30)/t17-,18-,21-/m0/s1" ; chebi:inchikey "WGFFUWNETOGMCB-WFXMLNOXSA-N" ; chebi:mass "478.540" ; chebi:monoisotopicmass "478.24275" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101512" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101513 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O5" ; chebi:inchi "InChI=1S/C27H39N5O5/c1-16-12-32(13-20-7-8-20)17(2)15-36-23-11-21(28-27(34)29-25-18(3)30-37-19(25)4)9-10-22(23)26(33)31(5)14-24(16)35-6/h9-11,16-17,20,24H,7-8,12-15H2,1-6H3,(H2,28,29,34)/t16-,17-,24+/m1/s1" ; chebi:inchikey "BVCIWUWSCCLIPT-OJLQRUNKSA-N" ; chebi:mass "513.630" ; chebi:monoisotopicmass "513.29512" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101513" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea" . obo:CHEBI_101514 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H36ClN3O5" ; chebi:inchi "InChI=1S/C25H36ClN3O5/c26-18-6-8-19(9-7-18)28-25(32)29-14-20(30)15-33-16-23-22(29)11-10-21(34-23)12-24(31)27-13-17-4-2-1-3-5-17/h6-9,17,20-23,30H,1-5,10-16H2,(H,27,31)(H,28,32)/t20-,21+,22+,23-/m1/s1" ; chebi:inchikey "SYCYKHHPUCXRJT-WZYRSQIMSA-N" ; chebi:mass "494.024" ; chebi:monoisotopicmass "493.23435" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101514" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8S,10aS)-N-(4-chlorophenyl)-8-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101515 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H36N4O5S" ; chebi:inchi "InChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-25(27)21-42-30(22)19-35(3)43(40,41)26-12-9-10-24(16-26)17-34/h5-16,22-23,30,38H,18-21H2,1-4H3/t22-,23+,30-/m1/s1" ; chebi:inchikey "DEQYHGFYIZKXEQ-DUELTEGESA-N" ; chebi:mass "600.730" ; chebi:monoisotopicmass "600.24064" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101515" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12878" . obo:CHEBI_101516 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C23H34FN3O4" ; chebi:inchi "InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20-,21+,22-/m0/s1" ; chebi:inchikey "UZQWVSGPDQQYNK-KJJMTIBFSA-N" ; chebi:mass "435.533" ; chebi:monoisotopicmass "435.25333" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC(=CC=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101516" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_101517 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-19(24)12-21)22(32-4)14-25(3)33(28,29)20-10-8-18(23)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17-,22+/m0/s1" ; chebi:inchikey "JTCZGLOUSBJUER-PNLZDCPESA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101517" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101518 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-19-6-4-7-21(12-19)39(34,35)31-18-9-10-25-22(11-18)23-13-20(37-26(16-32)28(23)38-25)14-27(33)30-15-17-5-2-3-8-24(17)29/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23-,26-,28+/m0/s1" ; chebi:inchikey "UQAGOAYYXRCKNS-YFRXONQNSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101518" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101519 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21-,22-,23-/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-OXFDMBILSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101519" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12882" . obo:CHEBI_10152 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_37790 ; owl:deprecated true . obo:CHEBI_101520 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C22H29FN4O6S" ; chebi:inchi "InChI=1S/C22H29FN4O6S/c1-26-11-22(25-14-26)34(30,31)27-10-17(28)12-32-13-20-19(27)6-5-18(33-20)8-21(29)24-9-15-3-2-4-16(23)7-15/h2-4,7,11,14,17-20,28H,5-6,8-10,12-13H2,1H3,(H,24,29)/t17-,18+,19-,20+/m1/s1" ; chebi:inchikey "PSOMVEOYXZFBLO-WCIQWLHISA-N" ; chebi:mass "496.554" ; chebi:monoisotopicmass "496.17918" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4=CC(=CC=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101520" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_101521 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C28H37N3O7S" ; chebi:inchi "InChI=1S/C28H37N3O7S/c1-36-23-8-5-9-25(16-23)39(34,35)31-18-22(32)19-37-20-27-26(31)11-10-24(38-27)17-28(33)30-14-12-29(13-15-30)21-6-3-2-4-7-21/h2-9,16,22,24,26-27,32H,10-15,17-20H2,1H3/t22-,24-,26-,27+/m0/s1" ; chebi:inchikey "JIBJCGLYXNSLDN-DAANFHMWSA-N" ; chebi:mass "559.676" ; chebi:monoisotopicmass "559.23522" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101521" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_101522 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O6S" ; chebi:inchi "InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18-,20-,22+/m1/s1" ; chebi:inchikey "LWPDCVYPXSZOFH-ZLLBNUPZSA-N" ; chebi:mass "480.964" ; chebi:monoisotopicmass "480.11219" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101522" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_101523 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-11-6-5-10-20(21)25)22(33-4)14-27(3)34(31,32)19-9-7-8-18(24)12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17-,22-/m0/s1" ; chebi:inchikey "QUGGTUJVTWBVOW-HOIFWPIMSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101523" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-4-[(3-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_101524 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H33N3O4" ; chebi:inchi "InChI=1S/C21H33N3O4/c1-6-7-20(25)23-16-8-9-17-18(10-16)28-13-15(3)22-11-14(2)19(27-5)12-24(4)21(17)26/h8-10,14-15,19,22H,6-7,11-13H2,1-5H3,(H,23,25)/t14-,15+,19-/m1/s1" ; chebi:inchikey "AZDABJQXNZGANX-ZRGWGRIASA-N" ; chebi:mass "391.505" ; chebi:monoisotopicmass "391.24711" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN[C@H](CO2)C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101524" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101525 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H27N5O5" ; chebi:inchi "InChI=1S/C26H27N5O5/c1-29(2)26(35)22-18(14-32)21-13-30-20(23(22)31(21)25(34)19-12-27-10-11-28-19)9-8-17(24(30)33)15-4-6-16(36-3)7-5-15/h4-12,18,21-23,32H,13-14H2,1-3H3/t18-,21-,22+,23+/m0/s1" ; chebi:inchikey "BKGRDMUHEKXYSB-XSEFMFLKSA-N" ; chebi:mass "489.524" ; chebi:monoisotopicmass "489.20122" ; chebi:smiles "CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)OC)[C@H]1N2C(=O)C5=NC=CN=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101525" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12888" . obo:CHEBI_101526 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N5O5S" ; chebi:inchi "InChI=1S/C22H32F3N5O5S/c1-15(19(35-5)11-29(4)36(33,34)20-12-28(3)14-26-20)10-30(16(2)13-31)21(32)27-18-8-6-17(7-9-18)22(23,24)25/h6-9,12,14-16,19,31H,10-11,13H2,1-5H3,(H,27,32)/t15-,16+,19-/m0/s1" ; chebi:inchikey "DUWNSMSZAPHBFZ-FCEWJHQRSA-N" ; chebi:mass "535.582" ; chebi:monoisotopicmass "535.20762" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101526" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101527 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-17-14-29(3)18(2)16-35-22-12-11-19(13-20(22)25(31)30(4)15-24(17)34-6)27-26(32)28-21-9-7-8-10-23(21)33-5/h7-13,17-18,24H,14-16H2,1-6H3,(H2,27,28,32)/t17-,18+,24+/m0/s1" ; chebi:inchikey "MQWQDAVBIBJDRV-HOOSLVGPSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101527" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-methoxyphenyl)-3-[(4R,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101528 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H28N4O5" ; chebi:inchi "InChI=1S/C27H28N4O5/c32-16-24-27-22(13-20(35-24)14-25(33)30-15-19-3-1-2-8-29-19)21-12-18(4-5-23(21)36-27)31-26(34)11-17-6-9-28-10-7-17/h1-10,12,20,22,24,27,32H,11,13-16H2,(H,30,33)(H,31,34)/t20-,22+,24+,27-/m1/s1" ; chebi:inchikey "NURZYHIHZDJTSB-LQZFSELZSA-N" ; chebi:mass "488.536" ; chebi:monoisotopicmass "488.20597" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101528" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_101529 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H21FN2O3" ; chebi:inchi "InChI=1S/C15H21FN2O3/c16-12-4-2-1-3-11(12)15(20)18-13-6-5-10(7-8-17)21-14(13)9-19/h1-4,10,13-14,19H,5-9,17H2,(H,18,20)/t10-,13-,14-/m1/s1" ; chebi:inchikey "DUQQDWAUZUWJHX-LERXQTSPSA-N" ; chebi:mass "296.338" ; chebi:monoisotopicmass "296.15362" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCN)CO)NC(=O)C2=CC=CC=C2F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101529" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide" . obo:CHEBI_101530 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H30FN3O3" ; chebi:inchi "InChI=1S/C25H30FN3O3/c26-20-9-5-4-8-16(20)17-10-11-21-22-18(13-29(21)25(17)32)19(14-30)23(28-22)24(31)27-12-15-6-2-1-3-7-15/h4-5,8-11,15,18-19,22-23,28,30H,1-3,6-7,12-14H2,(H,27,31)/t18-,19-,22+,23-/m1/s1" ; chebi:inchikey "IZVHJOOQVCWXPA-PJIZGREPSA-N" ; chebi:mass "439.523" ; chebi:monoisotopicmass "439.22712" ; chebi:smiles "C1CCC(CC1)CNC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@H]3N2)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101530" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-(cyclohexylmethyl)-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101531 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H33N3O5" ; chebi:inchi "InChI=1S/C24H33N3O5/c1-26-7-9-27(10-8-26)22(29)13-17-12-19-18-11-16(25-24(30)15-3-2-4-15)5-6-20(18)32-23(19)21(14-28)31-17/h5-6,11,15,17,19,21,23,28H,2-4,7-10,12-14H2,1H3,(H,25,30)/t17-,19+,21+,23-/m0/s1" ; chebi:inchikey "SOARVSRWKWCBLL-GBPFJNKXSA-N" ; chebi:mass "443.537" ; chebi:monoisotopicmass "443.24202" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101531" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_101532 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H21N3O2" ; chebi:inchi "InChI=1S/C22H21N3O2/c23-13-19-21(17-10-8-16(9-11-17)15-5-1-2-6-15)20(14-26)25(19)22(27)18-7-3-4-12-24-18/h3-5,7-12,19-21,26H,1-2,6,14H2/t19-,20+,21+/m1/s1" ; chebi:inchikey "MYJKJHLNWUIKMG-HKBOAZHASA-N" ; chebi:mass "359.422" ; chebi:monoisotopicmass "359.16338" ; chebi:smiles "C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)C(=O)C4=CC=CC=N4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101532" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile" . obo:CHEBI_101533 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)12-25-11-16)9-20(24)22-15-7-13-3-1-2-4-14(13)8-15/h1-4,15-19,21,23H,5-12H2,(H,22,24)/t16-,17+,18+,19-/m0/s1" ; chebi:inchikey "VINMFOKKSKWMTO-MANSERQUSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2)O)O[C@H]1CC(=O)NC3CC4=CC=CC=C4C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101533" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_101534 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H35N3O5" ; chebi:inchi "InChI=1S/C24H35N3O5/c1-27(2)13-23(30)26-16-8-9-20-18(10-16)19-11-17(31-21(14-28)24(19)32-20)12-22(29)25-15-6-4-3-5-7-15/h8-10,15,17,19,21,24,28H,3-7,11-14H2,1-2H3,(H,25,29)(H,26,30)/t17-,19+,21+,24-/m1/s1" ; chebi:inchikey "KRQAAGOFZVBHDO-OFYLTFBOSA-N" ; chebi:mass "445.553" ; chebi:monoisotopicmass "445.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101534" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_101535 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H37N3O5S" ; chebi:inchi "InChI=1S/C26H37N3O5S/c1-6-14-29-16-19(2)25(33-5)17-28(4)26(30)23-15-21(12-13-24(23)34-18-20(29)3)27-35(31,32)22-10-8-7-9-11-22/h7-13,15,19-20,25,27H,6,14,16-18H2,1-5H3/t19-,20-,25-/m1/s1" ; chebi:inchikey "HWYKCLATECFWDF-UMEGOILYSA-N" ; chebi:mass "503.656" ; chebi:monoisotopicmass "503.24539" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101535" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101536 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S" ; chebi:inchi "InChI=1S/C27H36N2O6S/c1-34-22-7-10-24(11-8-22)36(32,33)28-25-12-9-23(35-26(25)19-30)18-27(31)29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-8,10-11,21,23,25-26,28,30H,9,12-19H2,1H3/t23-,25+,26+/m0/s1" ; chebi:inchikey "JXWMWOXWMMUZLT-SKBVVQJISA-N" ; chebi:mass "516.652" ; chebi:monoisotopicmass "516.22941" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101536" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide" . obo:CHEBI_101537 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H28ClN5O3" ; chebi:inchi "InChI=1S/C24H28ClN5O3/c25-18-7-4-8-19(14-18)26-24(32)27-22-10-9-21(33-23(22)16-31)11-12-30-15-20(28-29-30)13-17-5-2-1-3-6-17/h1-8,14-15,21-23,31H,9-13,16H2,(H2,26,27,32)/t21-,22-,23-/m0/s1" ; chebi:inchikey "QIJBHKKZJCMHEO-VABKMULXSA-N" ; chebi:mass "469.965" ; chebi:monoisotopicmass "469.18807" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NC(=O)NC4=CC(=CC=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101537" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]urea" . obo:CHEBI_101538 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21+,22+,23-,24+/m0/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-UDIRQSBCSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101538" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-3-hydroxy-8-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101539 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31FN2O5S" ; chebi:inchi "InChI=1S/C23H31FN2O5S/c1-17(14-26(18(2)16-27)32(29,30)19-10-6-5-7-11-19)22(31-4)15-25(3)23(28)20-12-8-9-13-21(20)24/h5-13,17-18,22,27H,14-16H2,1-4H3/t17-,18+,22-/m0/s1" ; chebi:inchikey "CZAUCXDPQANXEN-SVMVAKDDSA-N" ; chebi:mass "466.568" ; chebi:monoisotopicmass "466.19377" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101539" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_10154 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17726 ; owl:deprecated true . obo:CHEBI_101540 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32Cl2N2O4S" ; chebi:inchi "InChI=1S/C23H32Cl2N2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)25)23(31-4)15-26(3)32(29,30)21-11-9-20(24)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18-,23-/m0/s1" ; chebi:inchikey "JYNGQINEBKOLSY-BSRJHKFKSA-N" ; chebi:mass "503.484" ; chebi:monoisotopicmass "502.14598" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101540" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_101541 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C31H37N3O4S" ; chebi:inchi "InChI=1S/C31H37N3O4S/c1-6-8-21-9-7-10-23(17-21)29-28-24(20-34(27(28)15-16-35)39(37)31(2,3)4)18-26(33-29)30(36)32-19-22-11-13-25(38-5)14-12-22/h6-14,17-18,27,35H,15-16,19-20H2,1-5H3,(H,32,36)/t27-,39-/m1/s1" ; chebi:inchikey "CHUUKIFYUQSEQP-GAZSAWIUSA-N" ; chebi:mass "547.710" ; chebi:monoisotopicmass "547.25048" ; chebi:smiles "CC=CC1=CC=CC(=C1)C2=C3[C@H](N(CC3=CC(=N2)C(=O)NCC4=CC=C(C=C4)OC)[S@](=O)C(C)(C)C)CCO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101541" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12904" . obo:CHEBI_101542 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H33N3O4S2" ; chebi:inchi "InChI=1S/C21H33N3O4S2/c1-16-6-8-19(9-7-16)30(26,27)24(18(3)15-25)12-17(2)20(28-5)13-23(4)14-21-22-10-11-29-21/h6-11,17-18,20,25H,12-15H2,1-5H3/t17-,18+,20-/m1/s1" ; chebi:inchikey "APKXKRHWPGHKNH-WSTZPKSXSA-N" ; chebi:mass "455.637" ; chebi:monoisotopicmass "455.19125" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@@H](CN(C)CC2=NC=CS2)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101542" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]-4-methylbenzenesulfonamide" . obo:CHEBI_101543 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H29N3O5" ; chebi:inchi "InChI=1S/C20H29N3O5/c1-27-15-7-5-14(6-8-15)22-20(26)23-17-10-9-16(28-18(17)12-24)11-19(25)21-13-3-2-4-13/h5-8,13,16-18,24H,2-4,9-12H2,1H3,(H,21,25)(H2,22,23,26)/t16-,17+,18-/m1/s1" ; chebi:inchikey "OPNJNCHASNUPJL-FGTMMUONSA-N" ; chebi:mass "391.462" ; chebi:monoisotopicmass "391.21072" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NC3CCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101543" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-cyclobutyl-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_101544 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O6S" ; chebi:inchi "InChI=1S/C22H27FN2O6S/c1-30-19-7-2-3-8-21(19)32(28,29)25-18-10-9-17(31-20(18)14-26)12-22(27)24-13-15-5-4-6-16(23)11-15/h2-8,11,17-18,20,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,18-,20+/m1/s1" ; chebi:inchikey "ZNMNRMGCWQWZTD-GGPKGHCWSA-N" ; chebi:mass "466.525" ; chebi:monoisotopicmass "466.15739" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101544" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_101545 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H37N3O5S" ; chebi:inchi "InChI=1S/C26H37N3O5S/c1-6-14-29-16-19(2)25(33-5)17-28(4)26(30)23-15-21(12-13-24(23)34-18-20(29)3)27-35(31,32)22-10-8-7-9-11-22/h7-13,15,19-20,25,27H,6,14,16-18H2,1-5H3/t19-,20+,25-/m0/s1" ; chebi:inchikey "HWYKCLATECFWDF-DFIYOIEZSA-N" ; chebi:mass "503.656" ; chebi:monoisotopicmass "503.24539" ; chebi:smiles "CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101545" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101546 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O4" ; chebi:inchi "InChI=1S/C32H46N4O4/c1-23-20-36(18-17-25-11-7-5-8-12-25)24(2)22-40-29-16-15-27(34-32(38)33-26-13-9-6-10-14-26)19-28(29)31(37)35(3)21-30(23)39-4/h5,7-8,11-12,15-16,19,23-24,26,30H,6,9-10,13-14,17-18,20-22H2,1-4H3,(H2,33,34,38)/t23-,24-,30-/m0/s1" ; chebi:inchikey "ONZMGLOOFFOJCP-JYUFKMNQSA-N" ; chebi:mass "550.733" ; chebi:monoisotopicmass "550.35191" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3CCCCC3)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101546" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101547 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H37N3O6S" ; chebi:inchi "InChI=1S/C24H37N3O6S/c28-19-16-27(34(30,31)21-7-3-1-4-8-21)22-10-9-20(33-23(22)18-32-17-19)15-24(29)25-11-14-26-12-5-2-6-13-26/h1,3-4,7-8,19-20,22-23,28H,2,5-6,9-18H2,(H,25,29)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "BTHNBOLPOQRYCE-YXPKMTABSA-N" ; chebi:mass "495.634" ; chebi:monoisotopicmass "495.24031" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3S(=O)(=O)C4=CC=CC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101547" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101548 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H29N3O6S" ; chebi:inchi "InChI=1S/C20H29N3O6S/c1-22-5-7-23(8-6-22)19(25)11-14-10-16-15-9-13(21-30(2,26)27)3-4-17(15)29-20(16)18(12-24)28-14/h3-4,9,14,16,18,20-21,24H,5-8,10-12H2,1-2H3/t14-,16+,18-,20-/m0/s1" ; chebi:inchikey "LHGLZDQGJZRLBC-HUOQQOJOSA-N" ; chebi:mass "439.528" ; chebi:monoisotopicmass "439.17771" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101548" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide" . obo:CHEBI_101549 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H38FN3O4" ; chebi:inchi "InChI=1S/C23H38FN3O4/c1-17(22(30-4)15-26(3)14-19-9-11-31-12-10-19)13-27(18(2)16-28)23(29)25-21-7-5-20(24)6-8-21/h5-8,17-19,22,28H,9-16H2,1-4H3,(H,25,29)/t17-,18-,22-/m1/s1" ; chebi:inchikey "IUSZJOKEOVUDOA-JBYIUTFZSA-N" ; chebi:mass "439.565" ; chebi:monoisotopicmass "439.28463" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2CCOCC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101549" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(4-oxanylmethyl)amino]butyl]urea" . obo:CHEBI_101550 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H34FN3O5" ; chebi:inchi "InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18+,24+/m0/s1" ; chebi:inchikey "DMFJOGMIMQDBLX-HOOSLVGPSA-N" ; chebi:mass "475.554" ; chebi:monoisotopicmass "475.24825" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101550" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_101551 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C27H29N3O4" ; chebi:inchi "InChI=1S/C27H29N3O4/c31-18-25-24(30-26(32)15-19-5-4-14-28-17-19)13-12-23(34-25)16-27(33)29-22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-11,14,17,23-25,31H,12-13,15-16,18H2,(H,29,33)(H,30,32)/t23-,24-,25+/m0/s1" ; chebi:inchikey "JZSLTRUJUOZFGD-CCDWMCETSA-N" ; chebi:mass "459.538" ; chebi:monoisotopicmass "459.21581" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)CO)NC(=O)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101551" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101552 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C27H30N4O5" ; chebi:inchi "InChI=1S/C27H30N4O5/c32-16-20-22-15-30-21(6-5-19(26(30)34)17-3-1-2-4-17)24(23(20)27(35)29-11-13-36-14-12-29)31(22)25(33)18-7-9-28-10-8-18/h3,5-10,20,22-24,32H,1-2,4,11-16H2/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "COTUBAWVYSPTNF-AZOUXBGGSA-N" ; chebi:mass "490.552" ; chebi:monoisotopicmass "490.22162" ; chebi:smiles "C1CC=C(C1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4C(=O)C5=CC=NC=C5)CN3C2=O)CO)C(=O)N6CCOCC6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101552" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12915" . obo:CHEBI_101553 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H40N4O5" ; chebi:inchi "InChI=1S/C25H40N4O5/c1-7-9-23(30)27-19-10-11-21-20(13-19)24(31)28(5)15-22(33-6)17(3)14-29(18(4)16-34-21)25(32)26-12-8-2/h10-11,13,17-18,22H,7-9,12,14-16H2,1-6H3,(H,26,32)(H,27,30)/t17-,18-,22+/m1/s1" ; chebi:inchikey "RUFIKNIWNRYTLQ-HMFYCAOWSA-N" ; chebi:mass "476.610" ; chebi:monoisotopicmass "476.29987" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)NCCC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101553" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_101554 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H46F3N3O5" ; chebi:inchi "InChI=1S/C33H46F3N3O5/c1-23-19-39(24(2)22-40)32(42)28-18-27(37-31(41)15-16-33(34,35)36)13-14-29(28)44-25(3)10-8-9-17-43-30(23)21-38(4)20-26-11-6-5-7-12-26/h5-7,11-14,18,23-25,30,40H,8-10,15-17,19-22H2,1-4H3,(H,37,41)/t23-,24-,25-,30+/m0/s1" ; chebi:inchikey "OMPYFAIFRLVIFJ-DNHJLFCISA-N" ; chebi:mass "621.732" ; chebi:monoisotopicmass "621.33896" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101554" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_101555 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30FN3O5S" ; chebi:inchi "InChI=1S/C23H30FN3O5S/c1-15-12-25-16(2)14-32-20-11-17(26-33(29,30)22-8-6-5-7-19(22)24)9-10-18(20)23(28)27(3)13-21(15)31-4/h5-11,15-16,21,25-26H,12-14H2,1-4H3/t15-,16+,21+/m1/s1" ; chebi:inchikey "DHNAZJFKQHWVTC-XFQAVAEZSA-N" ; chebi:mass "479.567" ; chebi:monoisotopicmass "479.18902" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101555" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101556 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H29N3O5" ; chebi:inchi "InChI=1S/C29H29N3O5/c33-17-26-28-24(13-22(36-26)14-27(34)32-11-9-18-4-1-2-5-20(18)16-32)23-12-21(7-8-25(23)37-28)31-29(35)19-6-3-10-30-15-19/h1-8,10,12,15,22,24,26,28,33H,9,11,13-14,16-17H2,(H,31,35)/t22-,24+,26-,28-/m0/s1" ; chebi:inchikey "AAXDVORIQTTZBB-BQGAEBSMSA-N" ; chebi:mass "499.559" ; chebi:monoisotopicmass "499.21072" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CN=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101556" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101557 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37FN6O6" ; chebi:inchi "InChI=1S/C30H37FN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-11-10-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-8-21(31)12-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18-,26-/m1/s1" ; chebi:inchikey "DJGRJRLVSKCCNZ-UYPAYLBCSA-N" ; chebi:mass "596.651" ; chebi:monoisotopicmass "596.27586" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101557" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8S)-N-(3,5-dimethyl-4-isoxazolyl)-14-[[(3-fluoroanilino)-oxomethyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_101558 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C15H19NO5" ; chebi:inchi "InChI=1S/C15H19NO5/c1-19-14(18)6-9-5-11-10-4-8(16)2-3-12(10)21-15(11)13(7-17)20-9/h2-4,9,11,13,15,17H,5-7,16H2,1H3/t9-,11-,13+,15+/m0/s1" ; chebi:inchikey "HQNYHUFQGPMYGV-SQWGHXPGSA-N" ; chebi:mass "293.316" ; chebi:monoisotopicmass "293.12632" ; chebi:smiles "COC(=O)C[C@@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101558" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-amino-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101559 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H30FN3O4" ; chebi:inchi "InChI=1S/C22H30FN3O4/c23-16-7-4-8-17(11-16)25-22(29)26-19-10-9-18(30-20(19)14-27)12-21(28)24-13-15-5-2-1-3-6-15/h4,7-11,15,18-20,27H,1-3,5-6,12-14H2,(H,24,28)(H2,25,26,29)/t18-,19-,20-/m1/s1" ; chebi:inchikey "PGYGWAGYUXBZHY-VAMGGRTRSA-N" ; chebi:mass "419.491" ; chebi:monoisotopicmass "419.22203" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101559" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(cyclohexylmethyl)-2-[(2S,3R,6S)-3-[[(3-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101560 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H30N2O6S2" ; chebi:inchi "InChI=1S/C22H30N2O6S2/c1-16-7-3-5-9-21(16)31(26,27)23-14-13-18-11-12-19(20(15-25)30-18)24-32(28,29)22-10-6-4-8-17(22)2/h3-10,18-20,23-25H,11-15H2,1-2H3/t18-,19-,20+/m1/s1" ; chebi:inchikey "NMMAJMJUDCVZMW-AQNXPRMDSA-N" ; chebi:mass "482.616" ; chebi:monoisotopicmass "482.15453" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NCC[C@H]2CC[C@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101560" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-methylbenzenesulfonamide" . obo:CHEBI_101561 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C21H23N3O4" ; chebi:inchi "InChI=1S/C21H23N3O4/c25-14-19-18(24-20(26)11-15-5-4-10-22-13-15)9-8-17(28-19)12-21(27)23-16-6-2-1-3-7-16/h1-10,13,17-19,25H,11-12,14H2,(H,23,27)(H,24,26)/t17-,18-,19+/m1/s1" ; chebi:inchikey "XLYDKAUYLYXOHP-QRVBRYPASA-N" ; chebi:mass "381.426" ; chebi:monoisotopicmass "381.16886" ; chebi:smiles "C1=CC=C(C=C1)NC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101561" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide" . obo:CHEBI_101562 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C34H36F2N4O5" ; chebi:inchi "InChI=1S/C34H36F2N4O5/c1-39-29-11-9-25(17-32(41)37-24-13-14-40(19-24)18-21-5-3-2-4-6-21)45-31(29)20-44-30-12-8-23(16-26(30)34(39)43)38-33(42)22-7-10-27(35)28(36)15-22/h2-8,10,12,15-16,24-25,29,31H,9,11,13-14,17-20H2,1H3,(H,37,41)(H,38,42)/t24-,25-,29-,31-/m0/s1" ; chebi:inchikey "UWMJOJNRDSZDAZ-GQUBXBKDSA-N" ; chebi:mass "618.672" ; chebi:monoisotopicmass "618.26538" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101562" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_101563 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30F2N4O4" ; chebi:inchi "InChI=1S/C24H30F2N4O4/c1-14-11-27-15(2)13-34-21-8-6-17(10-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-20-9-16(25)5-7-19(20)26/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15-,22+/m1/s1" ; chebi:inchikey "KJNJKXAQFIYZGQ-HLFMIMNKSA-N" ; chebi:mass "476.517" ; chebi:monoisotopicmass "476.22351" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101563" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101564 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H25N5O4" ; chebi:inchi "InChI=1S/C26H25N5O4/c32-14-19-18-13-30-21(6-3-7-22(30)33)23(18)31(26(35)20-12-27-8-9-28-20)24(19)25(34)29-17-10-15-4-1-2-5-16(15)11-17/h1-9,12,17-19,23-24,32H,10-11,13-14H2,(H,29,34)/t18-,19-,23+,24-/m0/s1" ; chebi:inchikey "UFMLPCAJUBVDJE-TWXAQOBRSA-N" ; chebi:mass "471.509" ; chebi:monoisotopicmass "471.19065" ; chebi:smiles "C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=CC(=O)N31)C(=O)C4=NC=CN=C4)C(=O)NC5CC6=CC=CC=C6C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101564" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-6-oxo-1-[oxo(2-pyrazinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101565 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(25(32)19-6-8-20(27)9-7-19)17(2)15-35-23-11-10-21(28-18(3)31)12-22(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,31)/t16-,17-,24+/m0/s1" ; chebi:inchikey "OZIBRDAYFOJMNO-WOGXIUBCSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101565" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-[(4-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101566 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O4" ; chebi:inchi "InChI=1S/C24H37N3O4/c1-16-13-25-17(2)15-31-21-11-10-19(26-23(28)18-8-6-5-7-9-18)12-20(21)24(29)27(3)14-22(16)30-4/h10-12,16-18,22,25H,5-9,13-15H2,1-4H3,(H,26,28)/t16-,17-,22+/m0/s1" ; chebi:inchikey "WWIWLTDSUPVNED-PNLZDCPESA-N" ; chebi:mass "431.569" ; chebi:monoisotopicmass "431.27841" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3CCCCC3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101566" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide" . obo:CHEBI_101567 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H24N4O6" ; chebi:inchi "InChI=1S/C21H24N4O6/c26-11-19-15(25-20(27)13-1-4-17-18(9-13)30-12-29-17)3-2-14(31-19)5-6-24-21(28)16-10-22-7-8-23-16/h1,4,7-10,14-15,19,26H,2-3,5-6,11-12H2,(H,24,28)(H,25,27)/t14-,15-,19-/m1/s1" ; chebi:inchikey "OAEJMSHQDKFBTQ-SPYBWZPUSA-N" ; chebi:mass "428.439" ; chebi:monoisotopicmass "428.16958" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCNC(=O)C2=NC=CN=C2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101567" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6S)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_101568 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30F3N3O5" ; chebi:inchi "InChI=1S/C31H30F3N3O5/c32-31(33,34)20-5-7-21(8-6-20)35-30(40)36-22-9-10-26-24(13-22)25-14-23(41-27(17-38)29(25)42-26)15-28(39)37-12-11-18-3-1-2-4-19(18)16-37/h1-10,13,23,25,27,29,38H,11-12,14-17H2,(H2,35,36,40)/t23-,25+,27+,29-/m0/s1" ; chebi:inchikey "HHNPVBFCYHNCMG-ZVFGGPEJSA-N" ; chebi:mass "581.583" ; chebi:monoisotopicmass "581.21376" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)NC6=CC=C(C=C6)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101568" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101569 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O6" ; chebi:inchi "InChI=1S/C27H35N3O6/c1-18-14-30(26(32)20-9-7-6-8-10-20)19(2)16-36-23-12-11-21(28-25(31)17-34-4)13-22(23)27(33)29(3)15-24(18)35-5/h6-13,18-19,24H,14-17H2,1-5H3,(H,28,31)/t18-,19-,24+/m0/s1" ; chebi:inchikey "JFYAEFCKASRCBE-AXHZCLLHSA-N" ; chebi:mass "497.584" ; chebi:monoisotopicmass "497.25259" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101569" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_10157 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15981 ; owl:deprecated true . obo:CHEBI_101570 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H23FN2O6" ; chebi:inchi "InChI=1S/C26H23FN2O6/c1-35-15-8-6-14(7-9-15)16-10-11-20-23-22(26(33)34)18(13-30)21(12-28(20)24(16)31)29(23)25(32)17-4-2-3-5-19(17)27/h2-11,18,21-23,30H,12-13H2,1H3,(H,33,34)/t18-,21-,22+,23+/m1/s1" ; chebi:inchikey "HJRLJVUTEJWJEN-QQUTXWOLSA-N" ; chebi:mass "478.470" ; chebi:monoisotopicmass "478.15401" ; chebi:smiles "COC1=CC=C(C=C1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4C(=O)C5=CC=CC=C5F)CN3C2=O)CO)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101570" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12933" . obo:CHEBI_101571 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30FN3O6S" ; chebi:inchi "InChI=1S/C25H30FN3O6S/c1-3-36(32,33)28-17-8-11-22-19(12-17)25(31)29(2)21-10-9-18(35-23(21)15-34-22)13-24(30)27-14-16-6-4-5-7-20(16)26/h4-8,11-12,18,21,23,28H,3,9-10,13-15H2,1-2H3,(H,27,30)/t18-,21+,23-/m1/s1" ; chebi:inchikey "MAZJZTZSELFTOO-RZFNWQHOSA-N" ; chebi:mass "519.588" ; chebi:monoisotopicmass "519.18394" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101571" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101572 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-16-13-25-17(2)15-33-20-11-10-18(12-19(20)24(28)27(3)14-22(16)32-5)26-34(29,30)23-9-7-6-8-21(23)31-4/h6-12,16-17,22,25-26H,13-15H2,1-5H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "VZMYSNMKMPUTCO-GSHUGGBRSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101572" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101573 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H33N3O6" ; chebi:inchi "InChI=1S/C30H33N3O6/c1-37-22-10-7-20(8-11-22)32-30(36)33-21-9-12-26-24(15-21)25-16-23(38-27(18-34)29(25)39-26)17-28(35)31-14-13-19-5-3-2-4-6-19/h2-12,15,23,25,27,29,34H,13-14,16-18H2,1H3,(H,31,35)(H2,32,33,36)/t23-,25-,27-,29+/m0/s1" ; chebi:inchikey "FOSRSIPYUZSGIW-HGAMEBRSSA-N" ; chebi:mass "531.601" ; chebi:monoisotopicmass "531.23694" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101573" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_101574 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H27N3O6" ; chebi:inchi "InChI=1S/C24H27N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-11,15,18-19,22,28H,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18+,19+,22-/m0/s1" ; chebi:inchikey "UDMIDSQAUXVXMN-KBZIOIMTSA-N" ; chebi:mass "453.489" ; chebi:monoisotopicmass "453.18999" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101574" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101575 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H37N5O3S" ; chebi:inchi "InChI=1S/C32H37N5O3S/c1-32(2,3)41(40)37-21-26-19-27(31(39)36-15-13-35(4)14-16-36)34-30(29(26)28(37)12-17-38)25-7-5-6-24(18-25)23-10-8-22(20-33)9-11-23/h5-11,18-19,28,38H,12-17,21H2,1-4H3/t28-,41-/m1/s1" ; chebi:inchikey "QBIQCDDCSMFVTJ-GIEABIOQSA-N" ; chebi:mass "571.735" ; chebi:monoisotopicmass "571.26171" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101575" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile" . obo:CHEBI_101576 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C15H24F3NO5" ; chebi:inchi "InChI=1S/C15H24F3NO5/c1-22-14(21)6-11-2-3-12-13(24-11)9-23-8-10(20)7-19(12)5-4-15(16,17)18/h10-13,20H,2-9H2,1H3/t10-,11+,12+,13-/m0/s1" ; chebi:inchikey "NGKDTDLAKVOKMV-LOWDOPEQSA-N" ; chebi:mass "355.351" ; chebi:monoisotopicmass "355.16066" ; chebi:smiles "COC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2CCC(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101576" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101577 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H28FN5O3" ; chebi:inchi "InChI=1S/C20H28FN5O3/c1-2-9-22-20(28)23-17-7-6-16(29-19(17)13-27)8-10-26-12-18(24-25-26)14-4-3-5-15(21)11-14/h3-5,11-12,16-17,19,27H,2,6-10,13H2,1H3,(H2,22,23,28)/t16-,17+,19+/m1/s1" ; chebi:inchikey "BSYBIQMXMHXRRQ-AOIWGVFYSA-N" ; chebi:mass "405.467" ; chebi:monoisotopicmass "405.21762" ; chebi:smiles "CCCNC(=O)N[C@H]1CC[C@@H](O[C@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101577" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea" . obo:CHEBI_101578 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c1-18(20-5-3-2-4-6-20)31-28(35)16-22-15-24-23-14-21(32-27(34)13-19-9-11-30-12-10-19)7-8-25(23)37-29(24)26(17-33)36-22/h2-12,14,18,22,24,26,29,33H,13,15-17H2,1H3,(H,31,35)(H,32,34)/t18-,22+,24+,26-,29-/m0/s1" ; chebi:inchikey "XWECZACFMCVSEP-NAZHIZFTSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101578" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101579 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C29H35N3O3" ; chebi:inchi "InChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-24(25)20-35-28(21)18-31(3)17-23-12-14-30-15-13-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22+,28+/m0/s1" ; chebi:inchikey "KEOFNYFHDQHRAV-PFPZSTESSA-N" ; chebi:mass "473.608" ; chebi:monoisotopicmass "473.26784" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101579" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12942" . obo:CHEBI_101580 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-6-8-25(32)29-21-10-11-22-23(13-21)36-17-19(3)31(26(33)20-9-7-12-28-14-20)15-18(2)24(35-5)16-30(4)27(22)34/h7,9-14,18-19,24H,6,8,15-17H2,1-5H3,(H,29,32)/t18-,19+,24-/m0/s1" ; chebi:inchikey "IERCBNABLGDWRK-GLDPYIMESA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C(=O)C3=CN=CC=C3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101580" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(3-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101581 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H25ClN2O7S" ; chebi:inchi "InChI=1S/C23H25ClN2O7S/c1-26-18-9-8-15(12-22(27)31-2)33-20(18)13-32-19-10-7-14(11-16(19)23(26)28)25-34(29,30)21-6-4-3-5-17(21)24/h3-7,10-11,15,18,20,25H,8-9,12-13H2,1-2H3/t15-,18-,20+/m1/s1" ; chebi:inchikey "QTFAPORQFWHYLC-ZTNFWEORSA-N" ; chebi:mass "508.974" ; chebi:monoisotopicmass "508.10710" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101581" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101582 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H30N4O5S" ; chebi:inchi "InChI=1S/C24H30N4O5S/c1-32-21-9-5-8-19(14-21)23-15-28(27-25-23)13-12-20-10-11-22(24(16-29)33-20)26-34(30,31)17-18-6-3-2-4-7-18/h2-9,14-15,20,22,24,26,29H,10-13,16-17H2,1H3/t20-,22+,24-/m1/s1" ; chebi:inchikey "LQIYJTVMCFCXBS-JCTONOIOSA-N" ; chebi:mass "486.586" ; chebi:monoisotopicmass "486.19369" ; chebi:smiles "COC1=CC=CC(=C1)C2=CN(N=N2)CC[C@H]3CC[C@@H]([C@H](O3)CO)NS(=O)(=O)CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101582" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide" . obo:CHEBI_101583 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-35-26-12-11-23(17-30(36)33-22-14-19-6-2-3-7-20(19)15-22)41-28(26)18-40-27-13-10-21(16-24(27)31(35)37)34-42(38,39)29-9-5-4-8-25(29)32/h2-10,13,16,22-23,26,28,34H,11-12,14-15,17-18H2,1H3,(H,33,36)/t23-,26-,28-/m0/s1" ; chebi:inchikey "WCNQFBRPFNRKRV-WSHBGFIESA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101583" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_101584 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17-,19-,20+/m1/s1" ; chebi:inchikey "WNHZFTQVONQUSH-QOJCHSLYSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101584" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12947" . obo:CHEBI_101585 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H18N2O3S" ; chebi:inchi "InChI=1S/C18H18N2O3S/c19-11-16-18(15-9-5-2-6-10-15)17(12-21)20(16)24(22,23)13-14-7-3-1-4-8-14/h1-10,16-18,21H,12-13H2/t16-,17-,18-/m1/s1" ; chebi:inchikey "SEDZELNMUHOWSZ-KZNAEPCWSA-N" ; chebi:mass "342.414" ; chebi:monoisotopicmass "342.10381" ; chebi:smiles "C1=CC=C(C=C1)CS(=O)(=O)N2[C@@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101585" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile" . obo:CHEBI_101586 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C21H29N3O4" ; chebi:inchi "InChI=1S/C21H29N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-8,13,16-19,25H,9-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18-,19-/m0/s1" ; chebi:inchikey "PBTCYEHOLZFKGG-FHWLQOOXSA-N" ; chebi:mass "387.473" ; chebi:monoisotopicmass "387.21581" ; chebi:smiles "CC(C)NC(=O)N[C@H]1C=C[C@H](O[C@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101586" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101587 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H34N2O4" ; chebi:inchi "InChI=1S/C27H34N2O4/c1-18-14-29(19(2)16-30)27(32)24-11-7-6-10-23(24)22-9-5-4-8-21(22)17-33-25(18)15-28(3)26(31)20-12-13-20/h4-11,18-20,25,30H,12-17H2,1-3H3/t18-,19+,25+/m0/s1" ; chebi:inchikey "GOHLAUSVLSRLLT-OSWQYVSFSA-N" ; chebi:mass "450.571" ; chebi:monoisotopicmass "450.25186" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4CC4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101587" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12950" . obo:CHEBI_101588 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H34FN3O3S" ; chebi:inchi "InChI=1S/C29H34FN3O3S/c1-5-13-31-28(35)24-17-22-18-33(37(36)29(2,3)4)25(12-14-34)26(22)27(32-24)21-10-6-8-19(15-21)20-9-7-11-23(30)16-20/h6-11,15-17,25,34H,5,12-14,18H2,1-4H3,(H,31,35)/t25-,37-/m1/s1" ; chebi:inchikey "FSCHPCZBUZXFPL-TWEZTRHFSA-N" ; chebi:mass "523.664" ; chebi:monoisotopicmass "523.23049" ; chebi:smiles "CCCNC(=O)C1=NC(=C2[C@H](N(CC2=C1)[S@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101588" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101589 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C24H22N2O3" ; chebi:inchi "InChI=1S/C24H22N2O3/c1-29-22-5-3-2-4-17(22)9-6-16-7-10-18(11-8-16)23-20(14-25)26(21(23)15-27)24(28)19-12-13-19/h2-5,7-8,10-11,19-21,23,27H,12-13,15H2,1H3/t20-,21+,23-/m0/s1" ; chebi:inchikey "VFHDDKSZNLSDOB-XJUOHMSHSA-N" ; chebi:mass "386.444" ; chebi:monoisotopicmass "386.16304" ; chebi:smiles "COC1=CC=CC=C1C#CC2=CC=C(C=C2)[C@@H]3[C@H](N([C@H]3C#N)C(=O)C4CC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101589" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_101590 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H28Cl2N2O5" ; chebi:inchi "InChI=1S/C21H28Cl2N2O5/c22-15-9-14(10-16(23)11-15)20(27)24-6-3-17-1-2-18(19(12-26)30-17)25-21(28)13-4-7-29-8-5-13/h9-11,13,17-19,26H,1-8,12H2,(H,24,27)(H,25,28)/t17-,18-,19+/m0/s1" ; chebi:inchikey "BBKVVMQWFBDXMC-GBESFXJTSA-N" ; chebi:mass "459.364" ; chebi:monoisotopicmass "458.13753" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CCNC(=O)C2=CC(=CC(=C2)Cl)Cl)CO)NC(=O)C3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101590" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-6-[2-[[(3,5-dichlorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide" . obo:CHEBI_101591 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H38N4O4" ; chebi:inchi "InChI=1S/C20H38N4O4/c1-15(2)22-20(27)21-10-8-16-6-7-17(18(14-25)28-16)23-19(26)9-13-24-11-4-3-5-12-24/h15-18,25H,3-14H2,1-2H3,(H,23,26)(H2,21,22,27)/t16-,17+,18+/m1/s1" ; chebi:inchikey "JVYCUASVIANWPE-SQNIBIBYSA-N" ; chebi:mass "398.541" ; chebi:monoisotopicmass "398.28931" ; chebi:smiles "CC(C)NC(=O)NCC[C@H]1CC[C@@H]([C@@H](O1)CO)NC(=O)CCN2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101591" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_101592 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26F3N5O4" ; chebi:inchi "InChI=1S/C20H26F3N5O4/c1-31-12-15-10-28(27-26-15)9-8-16-6-7-17(18(11-29)32-16)25-19(30)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,10,16-18,29H,6-9,11-12H2,1H3,(H2,24,25,30)/t16-,17+,18+/m0/s1" ; chebi:inchikey "ZOURSNKVQGBTHH-RCCFBDPRSA-N" ; chebi:mass "457.448" ; chebi:monoisotopicmass "457.19369" ; chebi:smiles "COCC1=CN(N=N1)CC[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101592" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101593 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37N3O5" ; chebi:inchi "InChI=1S/C27H37N3O5/c1-18-14-30(15-21-9-7-8-10-24(21)33-5)19(2)17-35-25-12-11-22(28-20(3)31)13-23(25)27(32)29(4)16-26(18)34-6/h7-13,18-19,26H,14-17H2,1-6H3,(H,28,31)/t18-,19+,26+/m1/s1" ; chebi:inchikey "ZMJDYVBEASXUEV-MVYHEMRASA-N" ; chebi:mass "483.601" ; chebi:monoisotopicmass "483.27332" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101593" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101594 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O7" ; chebi:inchi "InChI=1S/C28H37N3O7/c1-18-14-31(26(32)17-35-4)19(2)16-38-24-13-21(29-27(33)20-7-10-22(36-5)11-8-20)9-12-23(24)28(34)30(3)15-25(18)37-6/h7-13,18-19,25H,14-17H2,1-6H3,(H,29,33)/t18-,19+,25-/m0/s1" ; chebi:inchikey "YQOYUVQVCGNRJC-CEYNDMKZSA-N" ; chebi:mass "527.610" ; chebi:monoisotopicmass "527.26315" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101594" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-methoxy-N-[(5R,6S,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101595 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H28N4O4" ; chebi:inchi "InChI=1S/C22H28N4O4/c27-15-20-19(26-22(29)13-17-3-1-2-9-24-17)5-4-18(30-20)14-21(28)25-12-8-16-6-10-23-11-7-16/h1-3,6-7,9-11,18-20,27H,4-5,8,12-15H2,(H,25,28)(H,26,29)/t18-,19+,20-/m0/s1" ; chebi:inchikey "GUCCOCGWZUYAMY-ZCNNSNEGSA-N" ; chebi:mass "412.483" ; chebi:monoisotopicmass "412.21106" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101595" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101596 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C15H16FNO5" ; chebi:inchi "InChI=1S/C15H16FNO5/c16-11-4-2-1-3-10(11)15(21)17-12-6-5-9(7-14(19)20)22-13(12)8-18/h1-6,9,12-13,18H,7-8H2,(H,17,21)(H,19,20)/t9-,12+,13-/m1/s1" ; chebi:inchikey "QPJNNDOFKLWHFX-JIMOISOXSA-N" ; chebi:mass "309.290" ; chebi:monoisotopicmass "309.10125" ; chebi:smiles "C1=CC=C(C(=C1)C(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)O)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101596" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid" . obo:CHEBI_101597 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H25N3O5" ; chebi:inchi "InChI=1S/C22H25N3O5/c1-30-13-19(28)25-20-15(11-24-17(20)8-5-9-18(24)27)16(12-26)21(25)22(29)23-10-14-6-3-2-4-7-14/h2-9,15-16,20-21,26H,10-13H2,1H3,(H,23,29)/t15-,16-,20+,21-/m0/s1" ; chebi:inchikey "DTBBLQRMWRNBOL-AFMUBRCDSA-N" ; chebi:mass "411.452" ; chebi:monoisotopicmass "411.17942" ; chebi:smiles "COCC(=O)N1[C@@H]2[C@@H](CN3C2=CC=CC3=O)[C@@H]([C@H]1C(=O)NCC4=CC=CC=C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101597" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-6-oxo-N-(phenylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101598 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H34N4O5S" ; chebi:inchi "InChI=1S/C24H34N4O5S/c1-25-10-12-26(13-11-25)24(31)21-18(15-29)20-14-27-19(22(21)28(20)34(2,32)33)9-8-17(23(27)30)16-6-4-3-5-7-16/h6,8-9,18,20-22,29H,3-5,7,10-15H2,1-2H3/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "NRVZDTJJXPAHOA-YJMBLLCNSA-N" ; chebi:mass "490.618" ; chebi:monoisotopicmass "490.22499" ; chebi:smiles "CN1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CCCCC5)[C@@H]2N3S(=O)(=O)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101598" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12961" . obo:CHEBI_101599 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30F2N2O5S" ; chebi:inchi "InChI=1S/C23H30F2N2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17-,22-/m1/s1" ; chebi:inchikey "PIEMZAFCKVBYBS-DRSNIGMVSA-N" ; chebi:mass "484.558" ; chebi:monoisotopicmass "484.18435" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101599" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_1016 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27822 ; owl:deprecated true . obo:CHEBI_101600 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H26N2O5" ; chebi:inchi "InChI=1S/C18H26N2O5/c1-12(22)20-16-7-6-15(25-17(16)11-21)9-18(23)19-10-13-4-3-5-14(8-13)24-2/h3-5,8,15-17,21H,6-7,9-11H2,1-2H3,(H,19,23)(H,20,22)/t15-,16+,17+/m1/s1" ; chebi:inchikey "QHWKOKDSIMAAGX-IKGGRYGDSA-N" ; chebi:mass "350.410" ; chebi:monoisotopicmass "350.18417" ; chebi:smiles "CC(=O)N[C@H]1CC[C@@H](O[C@H]1CO)CC(=O)NCC2=CC(=CC=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101600" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101601 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C33H36N4O4S" ; chebi:inchi "InChI=1S/C33H36N4O4S/c1-33(2,3)42(40)37-21-26-19-28(32(39)35-20-22-7-5-10-27(17-22)41-4)36-31(30(26)29(37)13-16-38)25-9-6-8-24(18-25)23-11-14-34-15-12-23/h5-12,14-15,17-19,29,38H,13,16,20-21H2,1-4H3,(H,35,39)/t29-,42-/m0/s1" ; chebi:inchikey "GIUILNXHKTVBSA-WHAQVLKXSA-N" ; chebi:mass "584.731" ; chebi:monoisotopicmass "584.24573" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101601" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101602 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H30FN3O3" ; chebi:inchi "InChI=1S/C25H30FN3O3/c1-2-28-22-19(20(15-30)23(28)25(32)27-11-4-3-5-12-27)14-29-21(22)10-9-18(24(29)31)16-7-6-8-17(26)13-16/h6-10,13,19-20,22-23,30H,2-5,11-12,14-15H2,1H3/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "IVBSCMTWKAMHGA-YXPKMTABSA-N" ; chebi:mass "439.523" ; chebi:monoisotopicmass "439.22712" ; chebi:smiles "CCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC(=CC=C4)F)[C@H]([C@@H]1C(=O)N5CCCCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101602" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-ethyl-7-(3-fluorophenyl)-3-(hydroxymethyl)-2-[oxo(1-piperidinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_101603 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27N5O3" ; chebi:inchi "InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20-,22+/m0/s1" ; chebi:inchikey "HKZRXKNGDCOEMV-JAXLGGSGSA-N" ; chebi:mass "421.493" ; chebi:monoisotopicmass "421.21139" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=C3)CO)NC(=O)CC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101603" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_101604 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H29N3O5" ; chebi:inchi "InChI=1S/C25H29N3O5/c29-14-22-24-20(11-18(32-22)12-23(30)27-13-17-6-1-2-9-26-17)19-10-16(7-8-21(19)33-24)28-25(31)15-4-3-5-15/h1-2,6-10,15,18,20,22,24,29H,3-5,11-14H2,(H,27,30)(H,28,31)/t18-,20-,22+,24+/m1/s1" ; chebi:inchikey "WYDHQCWIOCTAOJ-NROSNUSPSA-N" ; chebi:mass "451.516" ; chebi:monoisotopicmass "451.21072" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101604" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_101605 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H23F4N3O3" ; chebi:inchi "InChI=1S/C22H23F4N3O3/c23-14-6-4-13(5-7-14)10-27-21(32)20-16(12-30)15-11-29-17(2-1-3-18(29)31)19(15)28(20)9-8-22(24,25)26/h1-7,15-16,19-20,30H,8-12H2,(H,27,32)/t15-,16-,19+,20-/m1/s1" ; chebi:inchikey "CPSLJULDKOVODL-YAJHFMINSA-N" ; chebi:mass "453.431" ; chebi:monoisotopicmass "453.16755" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H](N([C@@H]2C3=CC=CC(=O)N31)CCC(F)(F)F)C(=O)NCC4=CC=C(C=C4)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101605" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101606 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-18-13-30(14-21-8-6-7-11-27-21)19(2)16-35-23-10-9-20(28-25(31)17-33-4)12-22(23)26(32)29(3)15-24(18)34-5/h6-12,18-19,24H,13-17H2,1-5H3,(H,28,31)/t18-,19-,24-/m0/s1" ; chebi:inchikey "FQDNKYOBJJPTQR-JXQFQVJHSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101606" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101607 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H29N3O4" ; chebi:inchi "InChI=1S/C20H29N3O4/c24-13-18-17(23-20(26)15-2-1-3-15)5-4-16(27-18)8-11-22-19(25)12-14-6-9-21-10-7-14/h6-7,9-10,15-18,24H,1-5,8,11-13H2,(H,22,25)(H,23,26)/t16-,17-,18-/m1/s1" ; chebi:inchikey "CZXCLXHYAUMTPI-KZNAEPCWSA-N" ; chebi:mass "375.463" ; chebi:monoisotopicmass "375.21581" ; chebi:smiles "C1CC(C1)C(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101607" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(1-oxo-2-pyridin-4-ylethyl)amino]ethyl]-3-oxanyl]cyclobutanecarboxamide" . obo:CHEBI_101608 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30ClFN2O5S" ; chebi:inchi "InChI=1S/C23H30ClFN2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17+,22-/m0/s1" ; chebi:inchikey "FWFBMTYWKZBKQZ-JKSBSHDWSA-N" ; chebi:mass "501.013" ; chebi:monoisotopicmass "500.15480" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101608" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_101609 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C12H21NO5" ; chebi:inchi "InChI=1S/C12H21NO5/c1-16-12(15)4-9-2-3-10-11(18-9)7-17-6-8(14)5-13-10/h8-11,13-14H,2-7H2,1H3/t8-,9-,10+,11-/m1/s1" ; chebi:inchikey "FKMAUGDURCCEJG-CHWFTXMASA-N" ; chebi:mass "259.299" ; chebi:monoisotopicmass "259.14197" ; chebi:smiles "COC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101609" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101610 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H38FN3O4" ; chebi:inchi "InChI=1S/C23H38FN3O4/c1-17(22(30-4)15-26(3)14-19-9-11-31-12-10-19)13-27(18(2)16-28)23(29)25-21-7-5-20(24)6-8-21/h5-8,17-19,22,28H,9-16H2,1-4H3,(H,25,29)/t17-,18-,22+/m0/s1" ; chebi:inchikey "IUSZJOKEOVUDOA-NPPFBWRTSA-N" ; chebi:mass "439.565" ; chebi:monoisotopicmass "439.28463" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2CCOCC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101610" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S,3S)-3-methoxy-2-methyl-4-[methyl(4-oxanylmethyl)amino]butyl]urea" . obo:CHEBI_101611 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H22N2O" ; chebi:inchi "InChI=1S/C19H22N2O/c20-12-17-19(18(13-22)21-17)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14,17-19,21-22H,1-5,13H2/t17-,18+,19-/m0/s1" ; chebi:inchikey "ANDSQWRABKLSGR-OTWHNJEPSA-N" ; chebi:mass "294.391" ; chebi:monoisotopicmass "294.17321" ; chebi:smiles "C1CCC(CC1)C#CC2=CC=C(C=C2)[C@@H]3[C@H](N[C@H]3C#N)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101611" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101612 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H31N3O5S" ; chebi:inchi "InChI=1S/C19H31N3O5S/c1-13-10-21(3)14(2)12-27-17-8-7-15(20-28(6,24)25)9-16(17)19(23)22(4)11-18(13)26-5/h7-9,13-14,18,20H,10-12H2,1-6H3/t13-,14-,18+/m0/s1" ; chebi:inchikey "DDFPKKGQTCCPIA-SUNYJGFJSA-N" ; chebi:mass "413.533" ; chebi:monoisotopicmass "413.19844" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101612" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101613 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H23NO8" ; chebi:inchi "InChI=1S/C23H23NO8/c1-28-21(26)9-14-8-16-15-7-13(3-5-17(15)32-22(16)20(10-25)31-14)24-23(27)12-2-4-18-19(6-12)30-11-29-18/h2-7,14,16,20,22,25H,8-11H2,1H3,(H,24,27)/t14-,16+,20-,22-/m0/s1" ; chebi:inchikey "HFIMGBHSBJMCIP-NEDPJEHSSA-N" ; chebi:mass "441.432" ; chebi:monoisotopicmass "441.14237" ; chebi:smiles "COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101613" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101614 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C25H30N2O4" ; chebi:inchi "InChI=1S/C25H30N2O4/c1-26(2)18-7-8-22-20(11-18)21-12-19(30-23(15-28)25(21)31-22)13-24(29)27-10-9-16-5-3-4-6-17(16)14-27/h3-8,11,19,21,23,25,28H,9-10,12-15H2,1-2H3/t19-,21+,23-,25-/m1/s1" ; chebi:inchikey "QQFBCVYCCQBHCE-RIPRBREISA-N" ; chebi:mass "422.518" ; chebi:monoisotopicmass "422.22056" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101614" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_101615 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O4" ; chebi:inchi "InChI=1S/C27H36N4O4/c1-18-14-31(15-20-9-11-28-12-10-20)19(2)17-35-24-13-22(29-26(32)21-5-6-21)7-8-23(24)27(33)30(3)16-25(18)34-4/h7-13,18-19,21,25H,5-6,14-17H2,1-4H3,(H,29,32)/t18-,19+,25+/m0/s1" ; chebi:inchikey "RHXUULWZVSTJED-OSWQYVSFSA-N" ; chebi:mass "480.600" ; chebi:monoisotopicmass "480.27366" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101615" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101616 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H39N5O5" ; chebi:inchi "InChI=1S/C32H39N5O5/c1-19-15-37(20(2)17-38)31(39)30-28(25-13-9-10-14-26(25)36(30)6)24-12-8-7-11-23(24)18-41-27(19)16-35(5)32(40)33-29-21(3)34-42-22(29)4/h7-14,19-20,27,38H,15-18H2,1-6H3,(H,33,40)/t19-,20+,27+/m1/s1" ; chebi:inchikey "WBCPGODJHKXDGU-JVAFGIKQSA-N" ; chebi:mass "573.684" ; chebi:monoisotopicmass "573.29512" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101616" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12979" . obo:CHEBI_101617 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H32FN3O6" ; chebi:inchi "InChI=1S/C26H32FN3O6/c1-34-23-5-3-2-4-17(23)13-28-25(32)12-21-10-11-22-24(36-21)16-35-15-20(31)14-30(22)26(33)29-19-8-6-18(27)7-9-19/h2-9,20-22,24,31H,10-16H2,1H3,(H,28,32)(H,29,33)/t20-,21-,22+,24-/m0/s1" ; chebi:inchikey "ADXBMBRYFBFALA-YCSHWKNNSA-N" ; chebi:mass "501.548" ; chebi:monoisotopicmass "501.22751" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC=C(C=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101617" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-N-(4-fluorophenyl)-3-hydroxy-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101618 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N5O4" ; chebi:inchi "InChI=1S/C24H33N5O4/c1-16-11-29(12-19-9-25-15-26-10-19)17(2)14-33-22-8-20(27-18(3)30)6-7-21(22)24(31)28(4)13-23(16)32-5/h6-10,15-17,23H,11-14H2,1-5H3,(H,27,30)/t16-,17-,23-/m1/s1" ; chebi:inchikey "UHUINQXCHIPGNT-SEPYTNNBSA-N" ; chebi:mass "455.551" ; chebi:monoisotopicmass "455.25325" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101618" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(5-pyrimidinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101619 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C20H29N3O4" ; chebi:inchi "InChI=1S/C20H29N3O4/c1-2-11-22-20(26)23-17-9-8-16(27-18(17)14-24)13-19(25)21-12-10-15-6-4-3-5-7-15/h3-9,16-18,24H,2,10-14H2,1H3,(H,21,25)(H2,22,23,26)/t16-,17+,18+/m1/s1" ; chebi:inchikey "UYZCTKNUILRIOW-SQNIBIBYSA-N" ; chebi:mass "375.463" ; chebi:monoisotopicmass "375.21581" ; chebi:smiles "CCCNC(=O)N[C@H]1C=C[C@@H](O[C@H]1CO)CC(=O)NCCC2=CC=CC=C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101619" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[oxo(propylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_101620 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N5O5S" ; chebi:inchi "InChI=1S/C25H37N5O5S/c1-17-11-30(12-19-6-7-19)18(2)15-35-22-9-8-20(27-36(32,33)24-14-28(3)16-26-24)10-21(22)25(31)29(4)13-23(17)34-5/h8-10,14,16-19,23,27H,6-7,11-13,15H2,1-5H3/t17-,18+,23-/m0/s1" ; chebi:inchikey "QARSUPNDRVVANH-IXFSTUDKSA-N" ; chebi:mass "519.659" ; chebi:monoisotopicmass "519.25154" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101620" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_101621 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C18H23ClN2O5" ; chebi:inchi "InChI=1S/C18H23ClN2O5/c1-25-11-18(24)21-15-7-6-14(26-16(15)10-22)8-17(23)20-9-12-2-4-13(19)5-3-12/h2-7,14-16,22H,8-11H2,1H3,(H,20,23)(H,21,24)/t14-,15+,16-/m0/s1" ; chebi:inchikey "XHJSWNOOJCOHJI-XHSDSOJGSA-N" ; chebi:mass "382.839" ; chebi:monoisotopicmass "382.12955" ; chebi:smiles "COCC(=O)N[C@@H]1C=C[C@H](O[C@H]1CO)CC(=O)NCC2=CC=C(C=C2)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101621" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4-chlorophenyl)methyl]-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(2-methoxy-1-oxoethyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101622 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C22H31FN2O4" ; chebi:inchi "InChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18-,20+,21-/m1/s1" ; chebi:inchikey "LTCDBOWOUBSGLM-RMVXJAJNSA-N" ; chebi:mass "406.492" ; chebi:monoisotopicmass "406.22679" ; chebi:smiles "C1CC(C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC=CC=C4F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101622" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_101623 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H34N4O6S" ; chebi:inchi "InChI=1S/C23H34N4O6S/c1-4-34(30,31)24-16-5-8-20-18(13-16)23(29)26(3)19-7-6-17(33-21(19)15-32-20)14-22(28)27-11-9-25(2)10-12-27/h5,8,13,17,19,21,24H,4,6-7,9-12,14-15H2,1-3H3/t17-,19-,21-/m0/s1" ; chebi:inchikey "RRCKKFPVDDPSKT-CUWPLCDZSA-N" ; chebi:mass "494.606" ; chebi:monoisotopicmass "494.21991" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@H](O3)CC(=O)N4CCN(CC4)C)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101623" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]ethanesulfonamide" . obo:CHEBI_101624 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H23F3N2O6S" ; chebi:inchi "InChI=1S/C22H23F3N2O6S/c23-22(24,25)12-26-20(29)10-14-9-17-16-8-13(27-34(30,31)15-4-2-1-3-5-15)6-7-18(16)33-21(17)19(11-28)32-14/h1-8,14,17,19,21,27-28H,9-12H2,(H,26,29)/t14-,17+,19+,21-/m1/s1" ; chebi:inchikey "AWBUKOBMSNOSJG-CUYZEOOHSA-N" ; chebi:mass "500.490" ; chebi:monoisotopicmass "500.12289" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101624" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide" . obo:CHEBI_101625 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22-,26+,28+/m0/s1" ; chebi:inchikey "WXIRIDSMDJYJEU-PWGWJTMSSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101625" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101626 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H39N3O6" ; chebi:inchi "InChI=1S/C29H39N3O6/c1-6-9-27(33)30-22-12-13-25-24(14-22)28(34)31(4)17-26(37-5)19(2)15-32(20(3)18-38-25)16-21-10-7-8-11-23(21)29(35)36/h7-8,10-14,19-20,26H,6,9,15-18H2,1-5H3,(H,30,33)(H,35,36)/t19-,20-,26-/m1/s1" ; chebi:inchikey "CYLUOSZFPYOXRH-XMERXJNXSA-N" ; chebi:mass "525.638" ; chebi:monoisotopicmass "525.28389" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=CC=C3C(=O)O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101626" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-5-yl]methyl]benzoic acid" . obo:CHEBI_101627 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C19H33N3O5" ; chebi:inchi "InChI=1S/C19H33N3O5/c23-13-17-16(21-18(24)12-22-8-10-26-11-9-22)5-4-15(27-17)6-7-20-19(25)14-2-1-3-14/h14-17,23H,1-13H2,(H,20,25)(H,21,24)/t15-,16-,17-/m0/s1" ; chebi:inchikey "CARWJPWJJJMDHW-ULQDDVLXSA-N" ; chebi:mass "383.483" ; chebi:monoisotopicmass "383.24202" ; chebi:smiles "C1CC(C1)C(=O)NCC[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)CN3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101627" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]ethyl]cyclobutanecarboxamide" . obo:CHEBI_101628 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C17H28N4O3" ; chebi:inchi "InChI=1S/C17H28N4O3/c1-11(2)15-9-21(20-19-15)8-7-13-5-6-14(16(10-22)24-13)18-17(23)12-3-4-12/h9,11-14,16,22H,3-8,10H2,1-2H3,(H,18,23)/t13-,14+,16-/m1/s1" ; chebi:inchikey "TWVDNKQJDYICCW-IJEWVQPXSA-N" ; chebi:mass "336.430" ; chebi:monoisotopicmass "336.21614" ; chebi:smiles "CC(C)C1=CN(N=N1)CC[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101628" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]cyclopropanecarboxamide" . obo:CHEBI_101629 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H32N4O4" ; chebi:inchi "InChI=1S/C29H32N4O4/c1-32(2)28(36)20-10-8-19(9-11-20)21-12-13-24-25-22(16-33(24)29(21)37)23(17-34)26(31-25)27(35)30-15-14-18-6-4-3-5-7-18/h3-13,22-23,25-26,31,34H,14-17H2,1-2H3,(H,30,35)/t22-,23-,25+,26-/m1/s1" ; chebi:inchikey "HHBAGBOVOCHPKM-VHCQPULKSA-N" ; chebi:mass "500.590" ; chebi:monoisotopicmass "500.24236" ; chebi:smiles "CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C3[C@@H]4[C@H](CN3C2=O)[C@H]([C@@H](N4)C(=O)NCCC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101629" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-[4-[dimethylamino(oxo)methyl]phenyl]-3-(hydroxymethyl)-6-oxo-N-(2-phenylethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101630 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H34N2O7S" ; chebi:inchi "InChI=1S/C25H34N2O7S/c1-17-6-9-21(10-7-17)35(30,31)27(19(3)15-28)13-18(2)24(32-5)14-26(4)25(29)20-8-11-22-23(12-20)34-16-33-22/h6-12,18-19,24,28H,13-16H2,1-5H3/t18-,19-,24+/m1/s1" ; chebi:inchikey "XFQUVXMASIHRAZ-IECBHUPTSA-N" ; chebi:mass "506.614" ; chebi:monoisotopicmass "506.20867" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101630" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101631 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C19H27N3O5S" ; chebi:inchi "InChI=1S/C19H27N3O5S/c23-10-17-16(22-19(25)13-4-7-26-8-5-13)2-1-15(27-17)9-18(24)20-6-3-14-11-28-12-21-14/h1-2,11-13,15-17,23H,3-10H2,(H,20,24)(H,22,25)/t15-,16-,17+/m0/s1" ; chebi:inchikey "QCPIRAQCKOOPTJ-YESZJQIVSA-N" ; chebi:mass "409.502" ; chebi:monoisotopicmass "409.16714" ; chebi:smiles "C1COCCC1C(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCCC3=CSC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101631" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(4-thiazolyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide" . obo:CHEBI_101632 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)13-25-12-16)9-20(24)22-8-7-14-3-1-2-4-15(14)11-22/h1-4,16-19,21,23H,5-13H2/t16-,17-,18-,19+/m0/s1" ; chebi:inchikey "MNYFKSZVIZZWBR-CADBVGFASA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101632" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_101633 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C25H32N2O4" ; chebi:inchi "InChI=1S/C25H32N2O4/c1-17-13-27(18(2)15-28)25(30)23-12-8-7-11-22(23)21-10-6-5-9-20(21)16-31-24(17)14-26(4)19(3)29/h5-12,17-18,24,28H,13-16H2,1-4H3/t17-,18-,24-/m0/s1" ; chebi:inchikey "PBZGESVUNIXUSB-XFAGBWLFSA-N" ; chebi:mass "424.534" ; chebi:monoisotopicmass "424.23621" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101633" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12996" . obo:CHEBI_101634 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23-,26+,28+/m0/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-RCTOPIGZSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101634" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101635 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H31F3N4O4" ; chebi:inchi "InChI=1S/C25H31F3N4O4/c1-15-12-29-16(2)14-36-21-10-9-19(11-20(21)23(33)32(3)13-22(15)35-4)31-24(34)30-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,29H,12-14H2,1-4H3,(H2,30,31,34)/t15-,16+,22-/m1/s1" ; chebi:inchikey "GXRZKRPKTHFHBM-ZMPRRUGASA-N" ; chebi:mass "508.534" ; chebi:monoisotopicmass "508.22974" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101635" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101636 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H32N2O7S" ; chebi:inchi "InChI=1S/C21H32N2O7S/c1-28-18-4-2-3-5-20(18)31(26,27)23-17-7-6-16(30-19(17)14-24)8-11-22-21(25)15-9-12-29-13-10-15/h2-5,15-17,19,23-24H,6-14H2,1H3,(H,22,25)/t16-,17+,19-/m0/s1" ; chebi:inchikey "BDFFQCHCBQOAPA-SCTDSRPQSA-N" ; chebi:mass "456.555" ; chebi:monoisotopicmass "456.19302" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCNC(=O)C3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101636" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide" . obo:CHEBI_101637 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H26FN3O5" ; chebi:inchi "InChI=1S/C23H26FN3O5/c1-27(2)21(29)11-16-10-18-17-9-15(7-8-19(17)32-22(18)20(12-28)31-16)26-23(30)25-14-5-3-13(24)4-6-14/h3-9,16,18,20,22,28H,10-12H2,1-2H3,(H2,25,26,30)/t16-,18+,20-,22-/m1/s1" ; chebi:inchikey "HTNOASUNFPMBNX-HOQQESESSA-N" ; chebi:mass "443.469" ; chebi:monoisotopicmass "443.18565" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101637" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide" . obo:CHEBI_101638 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-25(2)22(27)12-16-11-19-18-10-14(4-9-20(18)32-23(19)21(13-26)31-16)24-33(28,29)17-7-5-15(30-3)6-8-17/h4-10,16,19,21,23-24,26H,11-13H2,1-3H3/t16-,19-,21-,23+/m1/s1" ; chebi:inchikey "GJVLYDQXVFQAHZ-WACMXJRTSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101638" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide" . obo:CHEBI_101639 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H23NO8" ; chebi:inchi "InChI=1S/C23H23NO8/c1-28-21(26)9-14-8-16-15-7-13(3-5-17(15)32-22(16)20(10-25)31-14)24-23(27)12-2-4-18-19(6-12)30-11-29-18/h2-7,14,16,20,22,25H,8-11H2,1H3,(H,24,27)/t14-,16-,20-,22+/m0/s1" ; chebi:inchikey "HFIMGBHSBJMCIP-OZOIZYBVSA-N" ; chebi:mass "441.432" ; chebi:monoisotopicmass "441.14237" ; chebi:smiles "COC(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101639" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101640 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H22N2O" ; chebi:inchi "InChI=1S/C19H22N2O/c20-12-17-19(18(13-22)21-17)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14,17-19,21-22H,1-5,13H2/t17-,18-,19+/m1/s1" ; chebi:inchikey "ANDSQWRABKLSGR-QRVBRYPASA-N" ; chebi:mass "294.391" ; chebi:monoisotopicmass "294.17321" ; chebi:smiles "C1CCC(CC1)C#CC2=CC=C(C=C2)[C@@H]3[C@H](N[C@@H]3C#N)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101640" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101641 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H22N2O6" ; chebi:inchi "InChI=1S/C21H22N2O6/c24-11-18-21-16(9-14(28-18)10-20(26)27)15-8-13(1-2-17(15)29-21)23-19(25)7-12-3-5-22-6-4-12/h1-6,8,14,16,18,21,24H,7,9-11H2,(H,23,25)(H,26,27)/t14-,16-,18-,21+/m0/s1" ; chebi:inchikey "ZIYVXDMGZAADAL-YZZRYBLGSA-N" ; chebi:mass "398.410" ; chebi:monoisotopicmass "398.14779" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101641" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_101642 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "0" ; chebi:formula "C19H26Cl2N2O4" ; chebi:inchi "InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14-,17+,18-/m1/s1" ; chebi:inchikey "ZCDZHCWZNJFIKB-KJWYOANISA-N" ; chebi:mass "417.327" ; chebi:monoisotopicmass "416.12696" ; chebi:smiles "CNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101642" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide" . obo:CHEBI_101643 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C25H37FN2O4" ; chebi:inchi "InChI=1S/C25H37FN2O4/c26-20-8-6-18(7-9-20)13-27-25(30)12-22-10-11-23-24(32-22)17-31-16-21(29)15-28(23)14-19-4-2-1-3-5-19/h6-9,19,21-24,29H,1-5,10-17H2,(H,27,30)/t21-,22+,23-,24+/m1/s1" ; chebi:inchikey "CEWCLCSAKAWIOS-QPXUXIHVSA-N" ; chebi:mass "448.572" ; chebi:monoisotopicmass "448.27374" ; chebi:smiles "C1CCC(CC1)CN2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4=CC=C(C=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101643" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-(cyclohexylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_101644 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-6-9-27-22(32)30-11-15(2)20(35-5)12-29(4)21(31)18-8-7-17(10-19(18)36-13-16(30)3)28-37(33,34)14-23(24,25)26/h7-8,10,15-16,20,28H,6,9,11-14H2,1-5H3,(H,27,32)/t15-,16+,20-/m1/s1" ; chebi:inchikey "LVUSIZZVUUASSP-GQIGUUNPSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "CCCNC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101644" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_101645 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C27H35N3O3" ; chebi:inchi "InChI=1S/C27H35N3O3/c1-18-14-30(19(2)16-31)27(32)26-25(22-12-8-9-13-23(22)29(26)5)21-11-7-6-10-20(21)17-33-24(18)15-28(3)4/h6-13,18-19,24,31H,14-17H2,1-5H3/t18-,19-,24+/m0/s1" ; chebi:inchikey "WKBGSUAXJVLQSN-AXHZCLLHSA-N" ; chebi:mass "449.586" ; chebi:monoisotopicmass "449.26784" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101645" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13008" . obo:CHEBI_101646 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H28FN3O3" ; chebi:inchi "InChI=1S/C27H28FN3O3/c1-29(2)27(34)24-21(16-32)23-15-31-22(25(24)30(23)14-17-7-4-3-5-8-17)12-11-20(26(31)33)18-9-6-10-19(28)13-18/h3-13,21,23-25,32H,14-16H2,1-2H3/t21-,23-,24+,25+/m1/s1" ; chebi:inchikey "DPECORRGLVHITO-VGCGRUFVSA-N" ; chebi:mass "461.529" ; chebi:monoisotopicmass "461.21147" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)F)[C@@H]1N2CC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101646" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13009" . obo:CHEBI_101647 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33ClN2O4S" ; chebi:inchi "InChI=1S/C23H33ClN2O4S/c1-18(14-26(19(2)17-27)15-20-10-8-9-13-22(20)24)23(30-4)16-25(3)31(28,29)21-11-6-5-7-12-21/h5-13,18-19,23,27H,14-17H2,1-4H3/t18-,19+,23-/m0/s1" ; chebi:inchikey "BNYRIOADMGPGIR-YYDVJCTNSA-N" ; chebi:mass "469.039" ; chebi:monoisotopicmass "468.18496" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101647" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_101648 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c28-22-8-4-1-5-16(22)14-29-25(33)13-19-12-21-20-11-18(31-27(34)30-17-6-2-3-7-17)9-10-23(20)36-26(21)24(15-32)35-19/h1,4-5,8-11,17,19,21,24,26,32H,2-3,6-7,12-15H2,(H,29,33)(H2,30,31,34)/t19-,21-,24-,26+/m1/s1" ; chebi:inchikey "MSBIHNOYSLVJHR-UNMCOINBSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101648" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101649 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H27N5O3" ; chebi:inchi "InChI=1S/C26H27N5O3/c1-30-23-20(12-31-22(23)7-6-19(26(31)34)17-10-27-14-28-11-17)21(13-32)24(30)25(33)29-18-8-15-4-2-3-5-16(15)9-18/h2-7,10-11,14,18,20-21,23-24,32H,8-9,12-13H2,1H3,(H,29,33)/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "DWBOFDUJFWPQPT-ZQRMPTRQSA-N" ; chebi:mass "457.525" ; chebi:monoisotopicmass "457.21139" ; chebi:smiles "CN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CN=CN=C4)[C@@H]([C@H]1C(=O)NC5CC6=CC=CC=C6C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101649" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-1-methyl-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101650 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O6" ; chebi:inchi "InChI=1S/C27H35N3O6/c1-17-14-30(19(3)31)18(2)16-36-24-13-20(28-26(32)21-9-7-8-10-23(21)34-5)11-12-22(24)27(33)29(4)15-25(17)35-6/h7-13,17-18,25H,14-16H2,1-6H3,(H,28,32)/t17-,18+,25-/m1/s1" ; chebi:inchikey "NNPXJSNOAUXSRD-FUMQJTLXSA-N" ; chebi:mass "497.584" ; chebi:monoisotopicmass "497.25259" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101650" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxybenzamide" . obo:CHEBI_101651 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-25(2)15-6-7-19-17(9-15)18-10-16(28-20(13-26)22(18)29-19)11-21(27)24-12-14-5-3-4-8-23-14/h3-9,16,18,20,22,26H,10-13H2,1-2H3,(H,24,27)/t16-,18-,20+,22+/m0/s1" ; chebi:inchikey "PSRJUTPUZRNONK-FDGCKHTNSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101651" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_101652 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26FN3O5S" ; chebi:inchi "InChI=1S/C19H26FN3O5S/c1-22-7-9-23(10-8-22)19(25)12-15-5-6-17(18(13-24)28-15)21-29(26,27)16-4-2-3-14(20)11-16/h2-6,11,15,17-18,21,24H,7-10,12-13H2,1H3/t15-,17+,18+/m1/s1" ; chebi:inchikey "BAJOMULNWMTCGT-NJAFHUGGSA-N" ; chebi:mass "427.492" ; chebi:monoisotopicmass "427.15772" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101652" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]benzenesulfonamide" . obo:CHEBI_101653 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C27H31N3O6" ; chebi:inchi "InChI=1S/C27H31N3O6/c1-35-17-23(32)30-22-15-29-21(10-9-19(26(29)33)8-7-18-5-3-2-4-6-18)25(30)24(20(22)16-31)27(34)28-11-13-36-14-12-28/h2-10,20,22,24-25,31H,11-17H2,1H3/t20-,22-,24+,25+/m0/s1" ; chebi:inchikey "XMUOPSKEXGVNOG-MMTHZHQFSA-N" ; chebi:mass "493.553" ; chebi:monoisotopicmass "493.22129" ; chebi:smiles "COCC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)N5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101653" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13016" . obo:CHEBI_101654 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C18H23F3N4O4" ; chebi:inchi "InChI=1S/C18H23F3N4O4/c1-2-6-22-17(29)25-12-7-24-11(4-3-5-13(24)27)15(25)14(10(12)8-26)16(28)23-9-18(19,20)21/h3-5,10,12,14-15,26H,2,6-9H2,1H3,(H,22,29)(H,23,28)/t10-,12-,14+,15+/m0/s1" ; chebi:inchikey "YCXHAHZKXMJVEB-OBCWZRDOSA-N" ; chebi:mass "416.396" ; chebi:monoisotopicmass "416.16714" ; chebi:smiles "CCCNC(=O)N1[C@H]2CN3C(=O)C=CC=C3[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101654" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13017" . obo:CHEBI_101655 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35FN4O6" ; chebi:inchi "InChI=1S/C27H35FN4O6/c1-17-13-32(25(33)16-36-4)18(2)15-38-23-10-9-21(12-22(23)26(34)31(3)14-24(17)37-5)30-27(35)29-20-8-6-7-19(28)11-20/h6-12,17-18,24H,13-16H2,1-5H3,(H2,29,30,35)/t17-,18-,24-/m1/s1" ; chebi:inchikey "ZQFWKBSGTDYKBN-QZTZHPFYSA-N" ; chebi:mass "530.589" ; chebi:monoisotopicmass "530.25406" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101655" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4R,7R,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101656 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-16-25(17(2)36-28-16)27-26(33)30-13-20(31)14-34-15-23-22(30)8-7-21(35-23)11-24(32)29-10-9-18-5-3-4-6-19(18)12-29/h3-6,20-23,31H,7-15H2,1-2H3,(H,27,33)/t20-,21-,22-,23+/m1/s1" ; chebi:inchikey "SVQJPVUULHSFBY-ODAXIHTASA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCC5=CC=CC=C5C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101656" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8R,10aR)-8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101657 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c23-13-19-18(22-28(25,26)14-15-5-2-1-3-6-15)10-9-17(27-19)11-12-21-20(24)16-7-4-8-16/h1-3,5-6,16-19,22-23H,4,7-14H2,(H,21,24)/t17-,18+,19-/m0/s1" ; chebi:inchikey "FGKXCNJDDMNFOM-OTWHNJEPSA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "C1CC(C1)C(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NS(=O)(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101657" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide" . obo:CHEBI_101658 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29ClN2O7S" ; chebi:inchi "InChI=1S/C28H29ClN2O7S/c1-36-20-3-2-4-22(12-20)39(34,35)31-19-9-10-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-5-7-18(29)8-6-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24+,26+,28-/m0/s1" ; chebi:inchikey "XHFXJTPXFPIUNX-IXMDGTTKSA-N" ; chebi:mass "573.059" ; chebi:monoisotopicmass "572.13840" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101658" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_101659 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C32H33FN4O3S" ; chebi:inchi "InChI=1S/C32H33FN4O3S/c1-32(2,3)41(40)37-20-25-17-27(31(39)35-19-24-8-4-5-12-26(24)33)36-30(29(25)28(37)13-15-38)22-10-6-9-21(16-22)23-11-7-14-34-18-23/h4-12,14,16-18,28,38H,13,15,19-20H2,1-3H3,(H,35,39)/t28-,41-/m0/s1" ; chebi:inchikey "YOONRACURWGVIS-VELXTTODSA-N" ; chebi:mass "572.695" ; chebi:monoisotopicmass "572.22574" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101659" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10166 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C7H13N5O2R2" ; chebi:mass "199.211" ; chebi:monoisotopicmass "199.10692" ; chebi:smiles "NC(=N)NCCC[C@H](NC([*])=O)C(=O)N[*]" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10166" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Myeline basic protein] L-arginine" . obo:CHEBI_101660 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H33N3O5" ; chebi:inchi "InChI=1S/C18H33N3O5/c1-25-10-9-19-17(23)11-14-7-8-15(16(12-22)26-14)21-18(24)20-13-5-3-2-4-6-13/h13-16,22H,2-12H2,1H3,(H,19,23)(H2,20,21,24)/t14-,15-,16-/m1/s1" ; chebi:inchikey "LJTZBZLXVQJQJX-BZUAXINKSA-N" ; chebi:mass "371.472" ; chebi:monoisotopicmass "371.24202" ; chebi:smiles "COCCNC(=O)C[C@H]1CC[C@H]([C@H](O1)CO)NC(=O)NC2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101660" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6S)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101661 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O4S" ; chebi:inchi "InChI=1S/C27H35N3O4S/c1-7-34-26(32)22-17-21-18-30(35(33)27(2,3)4)23(13-15-31)24(21)25(28-22)20-12-8-10-19(16-20)11-9-14-29(5)6/h8,10,12,16-17,23,31H,7,13-15,18H2,1-6H3/t23-,35?/m1/s1" ; chebi:inchikey "GWVPGXSETGAAGJ-MMHRDOBHSA-N" ; chebi:mass "497.652" ; chebi:monoisotopicmass "497.23483" ; chebi:smiles "CCOC(=O)C1=NC(=C2[C@H](N(CC2=C1)S(=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C#CCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101661" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester" . obo:CHEBI_101662 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H34N4O6" ; chebi:inchi "InChI=1S/C27H34N4O6/c1-30-9-11-31(12-10-30)25(33)15-20-14-22-21-13-18(5-8-23(21)37-26(22)24(16-32)36-20)29-27(34)28-17-3-6-19(35-2)7-4-17/h3-8,13,20,22,24,26,32H,9-12,14-16H2,1-2H3,(H2,28,29,34)/t20-,22-,24+,26+/m1/s1" ; chebi:inchikey "OQZDFPDHTDCUCP-GUAAGHCTSA-N" ; chebi:mass "510.583" ; chebi:monoisotopicmass "510.24783" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101662" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_101663 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O6" ; chebi:inchi "InChI=1S/C27H32N2O6/c1-33-19-8-5-16(6-9-19)14-28-25(31)13-20-12-22-21-11-18(29-27(32)17-3-2-4-17)7-10-23(21)35-26(22)24(15-30)34-20/h5-11,17,20,22,24,26,30H,2-4,12-15H2,1H3,(H,28,31)(H,29,32)/t20-,22+,24+,26-/m1/s1" ; chebi:inchikey "QQFSWHWRRZLIPD-GRTAZNFBSA-N" ; chebi:mass "480.554" ; chebi:monoisotopicmass "480.22604" ; chebi:smiles "COC1=CC=C(C=C1)CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101663" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_101664 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29ClN4O5S" ; chebi:inchi "InChI=1S/C21H29ClN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16+,20-/m0/s1" ; chebi:inchikey "FDINZZIDFRBVPX-YRNRMSPPSA-N" ; chebi:mass "484.999" ; chebi:monoisotopicmass "484.15472" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101664" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_101665 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H22FN3O4" ; chebi:inchi "InChI=1S/C21H22FN3O4/c1-12(27)25-19-14(10-24-17(19)7-4-8-18(24)28)15(11-26)20(25)21(29)23-9-13-5-2-3-6-16(13)22/h2-8,14-15,19-20,26H,9-11H2,1H3,(H,23,29)/t14-,15-,19+,20-/m1/s1" ; chebi:inchikey "JQQHJAYFWCMULB-XWYPRVOQSA-N" ; chebi:mass "399.416" ; chebi:monoisotopicmass "399.15943" ; chebi:smiles "CC(=O)N1[C@H]2[C@H](CN3C2=CC=CC3=O)[C@H]([C@@H]1C(=O)NCC4=CC=CC=C4F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101665" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-acetyl-N-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101666 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H30N4O5S" ; chebi:inchi "InChI=1S/C24H30N4O5S/c1-32-21-9-5-8-19(14-21)23-15-28(27-25-23)13-12-20-10-11-22(24(16-29)33-20)26-34(30,31)17-18-6-3-2-4-7-18/h2-9,14-15,20,22,24,26,29H,10-13,16-17H2,1H3/t20-,22+,24+/m0/s1" ; chebi:inchikey "LQIYJTVMCFCXBS-BGWNEDDSSA-N" ; chebi:mass "486.586" ; chebi:monoisotopicmass "486.19369" ; chebi:smiles "COC1=CC=CC(=C1)C2=CN(N=N2)CC[C@@H]3CC[C@H]([C@H](O3)CO)NS(=O)(=O)CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101666" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide" . obo:CHEBI_101667 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-27-16-7-2-4-14(10-16)12-22-20(25)11-17-8-9-18(19(13-24)28-17)23-21(26)15-5-3-6-15/h2,4,7-10,15,17-19,24H,3,5-6,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18-,19-/m0/s1" ; chebi:inchikey "QDYPPDFKKOAHDR-FHWLQOOXSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)C3CCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101667" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide" . obo:CHEBI_101668 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20+,21-,22+/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-FEHPBONCSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101668" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13031" . obo:CHEBI_101669 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H35FN4O6S" ; chebi:inchi "InChI=1S/C30H35FN4O6S/c1-20-17-35(29(36)13-22-7-6-12-32-16-22)21(2)19-41-27-11-10-24(15-26(27)30(37)34(3)18-28(20)40-4)33-42(38,39)25-9-5-8-23(31)14-25/h5-12,14-16,20-21,28,33H,13,17-19H2,1-4H3/t20-,21+,28+/m0/s1" ; chebi:inchikey "XXZJPGUPXRETOH-BALWLHIASA-N" ; chebi:mass "598.688" ; chebi:monoisotopicmass "598.22613" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101669" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_10167 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C8H15N5O2R2" ; chebi:mass "213.237" ; chebi:monoisotopicmass "213.12257" ; chebi:smiles "CNC(=N)NCCC[C@H](NC([*])=O)C(=O)N[*]" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10167" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Myeline basic protein] N-methyl-L-arginine" . obo:CHEBI_101670 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H35N3O5S2" ; chebi:inchi "InChI=1S/C30H35N3O5S2/c1-20-16-33(21(2)18-34)30(35)29-28(24-12-7-8-13-25(24)32(29)4)23-11-6-5-10-22(23)19-38-26(20)17-31(3)40(36,37)27-14-9-15-39-27/h5-15,20-21,26,34H,16-19H2,1-4H3/t20-,21-,26+/m0/s1" ; chebi:inchikey "OMNPDJXLWRDGEE-ISJBWFOZSA-N" ; chebi:mass "581.749" ; chebi:monoisotopicmass "581.20181" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101670" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13033" . obo:CHEBI_101671 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H37FN4O4" ; chebi:inchi "InChI=1S/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-11-7-8-12-28(27)37(31)4)26-10-6-5-9-23(26)20-42-29(21)18-36(3)33(41)35-25-15-13-24(34)14-16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22-,29-/m0/s1" ; chebi:inchikey "HIWUQZOVKTUVHW-SYZUXVNWSA-N" ; chebi:mass "572.671" ; chebi:monoisotopicmass "572.27988" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101671" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13034" . obo:CHEBI_101672 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c33-24-17-32(29(35)22-7-4-14-30-16-22)26-13-12-25(37-27(26)19-36-18-24)15-28(34)31-23-10-8-21(9-11-23)20-5-2-1-3-6-20/h1-11,14,16,24-27,33H,12-13,15,17-19H2,(H,31,34)/t24-,25-,26+,27-/m0/s1" ; chebi:inchikey "WTHWQCPYZWPYSX-NFGXINMFSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)C3=CN=CC=C3)O)O[C@@H]1CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101672" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101673 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H31N5O5" ; chebi:inchi "InChI=1S/C19H31N5O5/c1-12-18(13(2)29-22-12)21-19(27)20-15-5-4-14(28-16(15)11-25)10-17(26)24-8-6-23(3)7-9-24/h14-16,25H,4-11H2,1-3H3,(H2,20,21,27)/t14-,15+,16-/m0/s1" ; chebi:inchikey "ZKSUBHWMVQQNNI-XHSDSOJGSA-N" ; chebi:mass "409.481" ; chebi:monoisotopicmass "409.23252" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCN(CC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101673" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea" . obo:CHEBI_101674 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "0" ; chebi:formula "C19H26Cl2N2O4" ; chebi:inchi "InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14-,17-,18+/m1/s1" ; chebi:inchikey "ZCDZHCWZNJFIKB-DTDBQYNISA-N" ; chebi:mass "417.327" ; chebi:monoisotopicmass "416.12696" ; chebi:smiles "CNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101674" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide" . obo:CHEBI_101675 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-15-12-25(3)16(2)14-30-20-10-9-18(24-22(27)17-7-6-8-17)11-19(20)23(28)26(4)13-21(15)29-5/h9-11,15-17,21H,6-8,12-14H2,1-5H3,(H,24,27)/t15-,16-,21-/m0/s1" ; chebi:inchikey "IMTXHMNNEPVREU-QYWGDWMGSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101675" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_101676 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18-,20-,22-,25+/m0/s1" ; chebi:inchikey "ALLGXHRZPBERLG-ZSIZCVMNSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101676" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101677 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C26H29F2N3O3" ; chebi:inchi "InChI=1S/C26H29F2N3O3/c1-30-22-13-31-21(8-7-19(26(31)34)16-5-3-2-4-6-16)24(30)23(20(22)14-32)25(33)29-12-15-9-17(27)11-18(28)10-15/h5,7-11,20,22-24,32H,2-4,6,12-14H2,1H3,(H,29,33)/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "MBUIMBFODARIMW-AZOUXBGGSA-N" ; chebi:mass "469.525" ; chebi:monoisotopicmass "469.21770" ; chebi:smiles "CN1[C@@H]2CN3C(=CC=C(C3=O)C4=CCCCC4)[C@H]1[C@H]([C@@H]2CO)C(=O)NCC5=CC(=CC(=C5)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101677" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13040" . obo:CHEBI_101678 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C16H26N2O5" ; chebi:inchi "InChI=1S/C16H26N2O5/c1-22-11-15(20)17-13-6-5-12(23-14(13)10-19)9-16(21)18-7-3-2-4-8-18/h5-6,12-14,19H,2-4,7-11H2,1H3,(H,17,20)/t12-,13+,14-/m0/s1" ; chebi:inchikey "BHRCWANBCSKYFS-MJBXVCDLSA-N" ; chebi:mass "326.389" ; chebi:monoisotopicmass "326.18417" ; chebi:smiles "COCC(=O)N[C@@H]1C=C[C@H](O[C@H]1CO)CC(=O)N2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101678" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide" . obo:CHEBI_101679 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-18-14-32(19(2)16-33)28(34)25-13-9-8-12-24(25)23-11-7-6-10-22(23)17-36-26(18)15-31(5)29(35)27-20(3)30-37-21(27)4/h6-13,18-19,26,33H,14-17H2,1-5H3/t18-,19-,26-/m1/s1" ; chebi:inchikey "KKDNYDXSJAWXCE-LJKQEARRSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=C(ON=C4C)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101679" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13042" . obo:CHEBI_101680 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H27N3O7" ; chebi:inchi "InChI=1S/C28H27N3O7/c32-14-25-27-21(10-19(37-25)11-26(33)30-13-16-2-1-7-29-12-16)20-9-18(4-6-22(20)38-27)31-28(34)17-3-5-23-24(8-17)36-15-35-23/h1-9,12,19,21,25,27,32H,10-11,13-15H2,(H,30,33)(H,31,34)/t19-,21-,25+,27+/m0/s1" ; chebi:inchikey "PHEIPYKARIAFSI-ZTUCRWOVSA-N" ; chebi:mass "517.531" ; chebi:monoisotopicmass "517.18490" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CN=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101680" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101681 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H28F2N2O5" ; chebi:inchi "InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17-,18+,19-/m0/s1" ; chebi:inchikey "LJZGTTWSAOWWCB-OKYOBFRVSA-N" ; chebi:mass "426.455" ; chebi:monoisotopicmass "426.19663" ; chebi:smiles "CCC(=O)N1C[C@@H](COC[C@H]2[C@H]1CC[C@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101681" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101682 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C16H25N3O7S" ; chebi:inchi "InChI=1S/C16H25N3O7S/c1-18-7-15(17-10-18)27(22,23)19-6-11(20)8-25-9-14-13(19)4-3-12(26-14)5-16(21)24-2/h7,10-14,20H,3-6,8-9H2,1-2H3/t11-,12-,13+,14-/m0/s1" ; chebi:inchikey "HDTRYUIMSWCRLO-FQUUOJAGSA-N" ; chebi:mass "403.452" ; chebi:monoisotopicmass "403.14132" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)OC)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101682" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101683 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C22H29FN4O6S" ; chebi:inchi "InChI=1S/C22H29FN4O6S/c1-26-11-22(25-14-26)34(30,31)27-10-17(28)12-32-13-20-19(27)6-5-18(33-20)8-21(29)24-9-15-3-2-4-16(23)7-15/h2-4,7,11,14,17-20,28H,5-6,8-10,12-13H2,1H3,(H,24,29)/t17-,18+,19+,20-/m1/s1" ; chebi:inchikey "PSOMVEOYXZFBLO-FUMNGEBKSA-N" ; chebi:mass "496.554" ; chebi:monoisotopicmass "496.17918" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC(=CC=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101683" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_101684 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C16H25N3O7S" ; chebi:inchi "InChI=1S/C16H25N3O7S/c1-18-7-15(17-10-18)27(22,23)19-6-11(20)8-25-9-14-13(19)4-3-12(26-14)5-16(21)24-2/h7,10-14,20H,3-6,8-9H2,1-2H3/t11-,12+,13-,14+/m1/s1" ; chebi:inchikey "HDTRYUIMSWCRLO-RQJABVFESA-N" ; chebi:mass "403.452" ; chebi:monoisotopicmass "403.14132" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)OC)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101684" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101685 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H31N3O5" ; chebi:inchi "InChI=1S/C21H31N3O5/c1-28-16-7-5-6-15(12-16)22-21(27)23-18-9-8-17(29-19(18)14-25)13-20(26)24-10-3-2-4-11-24/h5-7,12,17-19,25H,2-4,8-11,13-14H2,1H3,(H2,22,23,27)/t17-,18-,19+/m0/s1" ; chebi:inchikey "LPRUTVLBIHKZIS-GBESFXJTSA-N" ; chebi:mass "405.489" ; chebi:monoisotopicmass "405.22637" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101685" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea" . obo:CHEBI_101686 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-20-16-33(17-22-6-5-11-30-15-22)21(2)19-38-26-8-7-24(31-28(34)23-9-12-37-13-10-23)14-25(26)29(35)32(3)18-27(20)36-4/h5-8,11,14-15,20-21,23,27H,9-10,12-13,16-19H2,1-4H3,(H,31,34)/t20-,21+,27-/m1/s1" ; chebi:inchikey "WKDBULKSLWTRKP-PBDKAQRYSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101686" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_101687 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H28N2O8" ; chebi:inchi "InChI=1S/C25H28N2O8/c1-31-12-24(30)27-15-3-5-19-17(7-15)18-8-16(34-22(11-28)25(18)35-19)9-23(29)26-10-14-2-4-20-21(6-14)33-13-32-20/h2-7,16,18,22,25,28H,8-13H2,1H3,(H,26,29)(H,27,30)/t16-,18-,22-,25+/m1/s1" ; chebi:inchikey "ZGEAGHWTKPKCOK-DORSAVSOSA-N" ; chebi:mass "484.499" ; chebi:monoisotopicmass "484.18457" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101687" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_101688 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O6S" ; chebi:inchi "InChI=1S/C22H32N4O6S/c1-13-10-23-14(2)12-31-19-8-7-17(9-18(19)22(27)26(5)11-20(13)30-6)25-33(28,29)21-15(3)24-32-16(21)4/h7-9,13-14,20,23,25H,10-12H2,1-6H3/t13-,14-,20-/m0/s1" ; chebi:inchikey "LINNEEFEDHMFDS-YRVVQQKDSA-N" ; chebi:mass "480.580" ; chebi:monoisotopicmass "480.20426" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101688" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3,5-dimethyl-4-isoxazolesulfonamide" . obo:CHEBI_101689 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O4" ; chebi:inchi "InChI=1S/C27H33N3O4/c1-3-29-24-21(15-30-23(24)12-11-20(27(30)33)18-8-4-5-9-18)22(16-31)25(29)26(32)28-14-17-7-6-10-19(13-17)34-2/h6-8,10-13,21-22,24-25,31H,3-5,9,14-16H2,1-2H3,(H,28,32)/t21-,22-,24+,25-/m0/s1" ; chebi:inchikey "NBNQALGKJVWNKP-HFOXQMJASA-N" ; chebi:mass "463.570" ; chebi:monoisotopicmass "463.24711" ; chebi:smiles "CCN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CCCC4)[C@@H]([C@H]1C(=O)NCC5=CC(=CC=C5)OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101689" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-1-ethyl-3-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101690 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33ClN2O5S" ; chebi:inchi "InChI=1S/C29H33ClN2O5S/c1-20-16-32(21(2)18-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-37-28(20)17-31(3)38(35,36)24-14-12-23(30)13-15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21-,28-/m0/s1" ; chebi:inchikey "SHOKCNHESYLQAS-CZBREUMFSA-N" ; chebi:mass "557.103" ; chebi:monoisotopicmass "556.17987" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101690" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13053" . obo:CHEBI_101691 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C18H33N3O4" ; chebi:inchi "InChI=1S/C18H33N3O4/c22-14-11-20-16-5-4-15(25-17(16)13-24-12-14)10-18(23)19-6-9-21-7-2-1-3-8-21/h14-17,20,22H,1-13H2,(H,19,23)/t14-,15+,16-,17+/m1/s1" ; chebi:inchikey "WSFSIZCPNKDEIH-TWMKSMIVSA-N" ; chebi:mass "355.473" ; chebi:monoisotopicmass "355.24711" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101691" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101692 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C22H29FN4O6S" ; chebi:inchi "InChI=1S/C22H29FN4O6S/c1-26-11-22(25-14-26)34(30,31)27-10-17(28)12-32-13-20-19(27)6-5-18(33-20)8-21(29)24-9-15-3-2-4-16(23)7-15/h2-4,7,11,14,17-20,28H,5-6,8-10,12-13H2,1H3,(H,24,29)/t17-,18-,19-,20+/m0/s1" ; chebi:inchikey "PSOMVEOYXZFBLO-LWYYNNOASA-N" ; chebi:mass "496.554" ; chebi:monoisotopicmass "496.17918" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC(=CC=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101692" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_101693 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C26H32F3N3O4" ; chebi:inchi "InChI=1S/C26H32F3N3O4/c27-26(28,29)20-3-1-2-19(12-20)14-32-15-21(33)16-35-17-24-23(32)5-4-22(36-24)13-25(34)31-11-8-18-6-9-30-10-7-18/h1-3,6-7,9-10,12,21-24,33H,4-5,8,11,13-17H2,(H,31,34)/t21-,22+,23+,24-/m0/s1" ; chebi:inchikey "QCHQNBIYSRQADD-KEZOAJOQSA-N" ; chebi:mass "507.546" ; chebi:monoisotopicmass "507.23449" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@H]1CC(=O)NCCC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101693" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101694 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27N3O6S" ; chebi:inchi "InChI=1S/C22H27N3O6S/c1-30-17-2-5-19(6-3-17)32(28,29)25-20-7-4-18(31-21(20)15-26)14-22(27)24-13-10-16-8-11-23-12-9-16/h2-9,11-12,18,20-21,25-26H,10,13-15H2,1H3,(H,24,27)/t18-,20-,21+/m0/s1" ; chebi:inchikey "SKMIIEGWSYGYOW-SESVDKBCSA-N" ; chebi:mass "461.533" ; chebi:monoisotopicmass "461.16206" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101694" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101695 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H32N4O5" ; chebi:inchi "InChI=1S/C23H32N4O5/c1-6-27-12-15(2)21(30-5)13-26(4)23(29)18-8-7-17(11-20(18)31-14-16(27)3)25-22(28)19-9-10-24-32-19/h7-11,15-16,21H,6,12-14H2,1-5H3,(H,25,28)/t15-,16-,21-/m1/s1" ; chebi:inchikey "WQVSSCVNJCJDQA-WHSLLNHNSA-N" ; chebi:mass "444.525" ; chebi:monoisotopicmass "444.23727" ; chebi:smiles "CCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=NO3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101695" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-ethyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide" . obo:CHEBI_101696 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H35N3O6S" ; chebi:inchi "InChI=1S/C23H35N3O6S/c1-17-5-3-4-6-22(17)33(29,30)26-14-18(27)15-31-16-21-20(26)8-7-19(32-21)13-23(28)25-11-9-24(2)10-12-25/h3-6,18-21,27H,7-16H2,1-2H3/t18-,19+,20-,21+/m0/s1" ; chebi:inchikey "AEYAMMVRWLJFNH-JSXRDJHFSA-N" ; chebi:mass "481.607" ; chebi:monoisotopicmass "481.22466" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)N4CCN(CC4)C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101696" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_101697 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C30H35FN2O3" ; chebi:inchi "InChI=1S/C30H35FN2O3/c1-21-16-33(22(2)19-34)30(35)28-11-7-6-10-27(28)26-9-5-4-8-24(26)20-36-29(21)18-32(3)17-23-12-14-25(31)15-13-23/h4-15,21-22,29,34H,16-20H2,1-3H3/t21-,22-,29-/m1/s1" ; chebi:inchikey "KXTDYBDROYGOSG-IEOSBIPESA-N" ; chebi:mass "490.610" ; chebi:monoisotopicmass "490.26317" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101697" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13060" . obo:CHEBI_101698 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23-,24-,30+/m1/s1" ; chebi:inchikey "VTQGPDBOURHJNB-KJMNMTOCSA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101698" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13061" . obo:CHEBI_101699 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21-,22+,27+/m1/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-YHZQYDDPSA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C(C)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101699" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13062" . obo:CHEBI_1017 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17289 ; owl:deprecated true . obo:CHEBI_101700 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H39N3O6" ; chebi:inchi "InChI=1S/C27H39N3O6/c31-17-24-26-22(15-20(35-24)16-25(32)28-8-11-30-9-2-1-3-10-30)21-14-19(4-5-23(21)36-26)29-27(33)18-6-12-34-13-7-18/h4-5,14,18,20,22,24,26,31H,1-3,6-13,15-17H2,(H,28,32)(H,29,33)/t20-,22-,24-,26+/m1/s1" ; chebi:inchikey "XIMMKRXXDKAOMK-DFICYWPVSA-N" ; chebi:mass "501.616" ; chebi:monoisotopicmass "501.28389" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101700" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101701 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15-6-9-17(10-7-15)31(28,29)25-20-11-8-16(30-21(20)14-26)12-13-24-22(27)18-4-2-3-5-19(18)23/h2-7,9-10,16,20-21,25-26H,8,11-14H2,1H3,(H,24,27)/t16-,20+,21+/m0/s1" ; chebi:inchikey "SBFIZHFYYISGJV-ZLGUVYLKSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101701" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide" . obo:CHEBI_101702 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "0" ; chebi:formula "C19H26Cl2N2O4" ; chebi:inchi "InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14+,17-,18+/m1/s1" ; chebi:inchikey "ZCDZHCWZNJFIKB-NONVJHHQSA-N" ; chebi:mass "417.327" ; chebi:monoisotopicmass "416.12696" ; chebi:smiles "CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101702" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide" . obo:CHEBI_101703 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H39N3O6" ; chebi:inchi "InChI=1S/C27H39N3O6/c31-17-24-26-22(15-20(35-24)16-25(32)28-8-11-30-9-2-1-3-10-30)21-14-19(4-5-23(21)36-26)29-27(33)18-6-12-34-13-7-18/h4-5,14,18,20,22,24,26,31H,1-3,6-13,15-17H2,(H,28,32)(H,29,33)/t20-,22-,24+,26+/m1/s1" ; chebi:inchikey "XIMMKRXXDKAOMK-GUAAGHCTSA-N" ; chebi:mass "501.616" ; chebi:monoisotopicmass "501.28389" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101703" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101704 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C21H28Cl2N2O6" ; chebi:inchi "InChI=1S/C21H28Cl2N2O6/c1-29-5-4-24-20(27)9-17-2-3-18-19(31-17)12-30-11-16(26)10-25(18)21(28)13-6-14(22)8-15(23)7-13/h6-8,16-19,26H,2-5,9-12H2,1H3,(H,24,27)/t16-,17+,18+,19-/m1/s1" ; chebi:inchikey "GXFSXISHSMAVNQ-YDZRNGNQSA-N" ; chebi:mass "475.364" ; chebi:monoisotopicmass "474.13244" ; chebi:smiles "COCCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101704" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101705 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O5S2" ; chebi:inchi "InChI=1S/C22H32N4O5S2/c1-15-11-26(13-21-23-8-9-32-21)16(2)14-31-19-10-17(24-33(5,28)29)6-7-18(19)22(27)25(3)12-20(15)30-4/h6-10,15-16,20,24H,11-14H2,1-5H3/t15-,16-,20-/m0/s1" ; chebi:inchikey "ILRMXYQNFGXKSX-FTRWYGJKSA-N" ; chebi:mass "496.646" ; chebi:monoisotopicmass "496.18141" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101705" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101706 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33575 ; rdfs:subClassOf obo:CHEBI_46767 ; chebi:charge "0" ; chebi:formula "C17H20N2O5" ; chebi:inchi "InChI=1S/C17H20N2O5/c1-24-17(23)14-10(8-20)12-7-18-11(3-2-4-13(18)21)15(14)19(12)16(22)9-5-6-9/h2-4,9-10,12,14-15,20H,5-8H2,1H3/t10-,12-,14+,15+/m0/s1" ; chebi:inchikey "KUBNHDDGXKERLH-OBCWZRDOSA-N" ; chebi:mass "332.352" ; chebi:monoisotopicmass "332.13722" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=O)C=CC=C3[C@H]1N2C(=O)C4CC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101706" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13069" . obo:CHEBI_101707 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25FN2O4" ; chebi:inchi "InChI=1S/C18H25FN2O4/c1-2-17(23)21-15-8-7-13(25-16(15)11-22)9-18(24)20-10-12-5-3-4-6-14(12)19/h3-6,13,15-16,22H,2,7-11H2,1H3,(H,20,24)(H,21,23)/t13-,15-,16-/m0/s1" ; chebi:inchikey "BYMJCSXXYVSKMN-BPUTZDHNSA-N" ; chebi:mass "352.401" ; chebi:monoisotopicmass "352.17984" ; chebi:smiles "CCC(=O)N[C@H]1CC[C@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=C2F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101707" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide" . obo:CHEBI_101708 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C17H23N3O3" ; chebi:inchi "InChI=1S/C17H23N3O3/c1-19-13-8-20-12(3-2-4-14(20)22)16(19)15(11(13)9-21)17(23)18-7-10-5-6-10/h2-4,10-11,13,15-16,21H,5-9H2,1H3,(H,18,23)/t11-,13-,15+,16+/m0/s1" ; chebi:inchikey "INXWNUBULGNKSP-DDUYRFODSA-N" ; chebi:mass "317.383" ; chebi:monoisotopicmass "317.17394" ; chebi:smiles "CN1[C@H]2CN3C(=O)C=CC=C3[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101708" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13071" . obo:CHEBI_101709 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H27N3O6" ; chebi:inchi "InChI=1S/C24H27N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-11,15,18-19,22,28H,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18-,19+,22-/m1/s1" ; chebi:inchikey "UDMIDSQAUXVXMN-HCBXPFHNSA-N" ; chebi:mass "453.489" ; chebi:monoisotopicmass "453.18999" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101709" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101710 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C34H43N3O4" ; chebi:inchi "InChI=1S/C34H43N3O4/c1-24-20-37(25(2)22-38)33(39)30-18-12-11-17-29(30)28-16-10-9-15-27(28)23-41-32(24)21-36(5)34(40)31(35(3)4)19-26-13-7-6-8-14-26/h6-18,24-25,31-32,38H,19-23H2,1-5H3/t24-,25-,31+,32+/m1/s1" ; chebi:inchikey "ZQFGNRPCSITOFH-PKVSMLHLSA-N" ; chebi:mass "557.724" ; chebi:monoisotopicmass "557.32536" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101710" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13073" . obo:CHEBI_101711 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-28-23(16-21(36-25)17-26(34)30-10-13-32-11-2-1-3-12-32)22-15-20(4-5-24(22)37-28)31-27(35)14-19-6-8-29-9-7-19/h4-9,15,21,23,25,28,33H,1-3,10-14,16-18H2,(H,30,34)(H,31,35)/t21-,23+,25-,28-/m1/s1" ; chebi:inchikey "FBZDSUDTYUQYGJ-YZDMAOCNSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101711" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101712 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_5280 ; owl:deprecated true . obo:CHEBI_101713 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35500 ; rdfs:subClassOf obo:CHEBI_38582 ; rdfs:subClassOf obo:CHEBI_83943 . _:b174 rdf:type owl:Restriction . obo:CHEBI_101713 rdfs:subClassOf _:b174 . _:b174 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_74925 . obo:CHEBI_101713 obo:IAO_0000115 "An L-alanine derivative that is the amide obtained by formal condensation of the carboxy group of N-[(3,5-difluorophenyl)acetyl]-L-alanine with the amino group of (3S)-3-amino-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one. An inhibitor of memapsin 2 (gamma-secretase)." ; chebi:charge "0" ; chebi:formula "C27H24F2N4O3" ; chebi:inchi "InChI=1S/C27H24F2N4O3/c1-16(30-23(34)14-17-12-19(28)15-20(29)13-17)26(35)32-25-27(36)33(2)22-11-7-6-10-21(22)24(31-25)18-8-4-3-5-9-18/h3-13,15-16,25H,14H2,1-2H3,(H,30,34)(H,32,35)/t16-,25+/m0/s1" ; chebi:inchikey "JNGZXGGOCLZBFB-IVCQMTBJSA-N" ; chebi:mass "490.502" ; chebi:monoisotopicmass "490.18165" ; chebi:smiles "C=1(C=2C(N(C([C@H](N1)NC([C@@H](NC(CC=3C=C(C=C(C3)F)F)=O)C)=O)=O)C)=CC=CC2)C=4C=CC=CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101713" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "compound E" . obo:CHEBI_101714 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C30H37N3O3" ; chebi:inchi "InChI=1S/C30H37N3O3/c1-2-15-32-26-18-33-25(13-12-23(29(33)35)21-9-4-3-5-10-21)28(32)27(24(26)19-34)30(36)31-16-14-20-8-6-7-11-22(20)17-31/h6-9,11-13,24,26-28,34H,2-5,10,14-19H2,1H3/t24-,26-,27+,28+/m0/s1" ; chebi:inchikey "KTCZPISMGPPISS-GDWZEYGFSA-N" ; chebi:mass "487.634" ; chebi:monoisotopicmass "487.28349" ; chebi:smiles "CCCN1[C@H]2CN3C(=CC=C(C3=O)C4=CCCCC4)[C@@H]1[C@@H]([C@H]2CO)C(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101714" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13076" . obo:CHEBI_101715 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C15H16FNO5" ; chebi:inchi "InChI=1S/C15H16FNO5/c16-11-4-2-1-3-10(11)15(21)17-12-6-5-9(7-14(19)20)22-13(12)8-18/h1-6,9,12-13,18H,7-8H2,(H,17,21)(H,19,20)/t9-,12-,13+/m0/s1" ; chebi:inchikey "QPJNNDOFKLWHFX-TVYUQYBPSA-N" ; chebi:mass "309.290" ; chebi:monoisotopicmass "309.10125" ; chebi:smiles "C1=CC=C(C(=C1)C(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)O)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101715" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid" . obo:CHEBI_101716 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C24H23FN2O2" ; chebi:inchi "InChI=1S/C24H23FN2O2/c25-20-8-4-7-19(13-20)24(29)27-21(14-26)23(22(27)15-28)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h4-5,7-13,21-23,28H,1-3,6,15H2/t21-,22-,23+/m0/s1" ; chebi:inchikey "BSEGMNXKWUIHHS-RJGXRXQPSA-N" ; chebi:mass "390.451" ; chebi:monoisotopicmass "390.17436" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101716" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101717 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H28N6O4" ; chebi:inchi "InChI=1S/C25H28N6O4/c1-29-12-17(27-15-29)10-11-26-24(34)23-19(14-32)18-13-30-20(8-5-9-21(30)33)22(18)31(23)25(35)28-16-6-3-2-4-7-16/h2-9,12,15,18-19,22-23,32H,10-11,13-14H2,1H3,(H,26,34)(H,28,35)/t18-,19-,22+,23-/m1/s1" ; chebi:inchikey "WOLKNTYXBIJULP-PJIZGREPSA-N" ; chebi:mass "476.529" ; chebi:monoisotopicmass "476.21720" ; chebi:smiles "CN1C=C(N=C1)CCNC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101717" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-N2-[2-(1-methyl-4-imidazolyl)ethyl]-6-oxo-N1-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide" . obo:CHEBI_101718 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H32N4O5S" ; chebi:inchi "InChI=1S/C22H32N4O5S/c1-16-6-8-19(9-7-16)32(29,30)26(18(3)15-27)13-17(2)21(31-5)14-25(4)22(28)20-12-23-10-11-24-20/h6-12,17-18,21,27H,13-15H2,1-5H3/t17-,18-,21-/m0/s1" ; chebi:inchikey "SBBAPVWHPDIFCH-WFXMLNOXSA-N" ; chebi:mass "464.580" ; chebi:monoisotopicmass "464.20934" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101718" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_101719 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O5" ; chebi:inchi "InChI=1S/C26H31N3O5/c30-15-23-25-21(12-19(33-23)13-24(31)28-17-6-2-1-3-7-17)20-11-18(8-9-22(20)34-25)29-26(32)16-5-4-10-27-14-16/h4-5,8-11,14,17,19,21,23,25,30H,1-3,6-7,12-13,15H2,(H,28,31)(H,29,32)/t19-,21+,23-,25-/m0/s1" ; chebi:inchikey "CCIDSNZUNACLPU-PYTYSOFPSA-N" ; chebi:mass "465.542" ; chebi:monoisotopicmass "465.22637" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101719" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101720 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O3" ; chebi:inchi "InChI=1S/C27H36N2O3/c1-19-14-29(20(2)17-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-22(23)18-32-26(19)16-28(3)15-21-12-13-21/h4-11,19-21,26,30H,12-18H2,1-3H3/t19-,20+,26+/m1/s1" ; chebi:inchikey "XOTAGUVNSWBDBY-GOHWNWGWSA-N" ; chebi:mass "436.587" ; chebi:monoisotopicmass "436.27259" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4CC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101720" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13082" . obo:CHEBI_101721 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H32FN3O4" ; chebi:inchi "InChI=1S/C22H32FN3O4/c23-17-8-4-5-9-18(17)25-22(29)26-19-11-10-16(30-20(19)14-27)12-13-24-21(28)15-6-2-1-3-7-15/h4-5,8-9,15-16,19-20,27H,1-3,6-7,10-14H2,(H,24,28)(H2,25,26,29)/t16-,19+,20-/m0/s1" ; chebi:inchikey "ABKGFAHRWOKBSI-DBVUQKKJSA-N" ; chebi:mass "421.506" ; chebi:monoisotopicmass "421.23768" ; chebi:smiles "C1CCC(CC1)C(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)NC3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101721" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6R)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide" . obo:CHEBI_101722 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H23FN4O4" ; chebi:inchi "InChI=1S/C20H23FN4O4/c21-14-3-1-13(2-4-14)20(28)25-17-6-5-16(29-18(17)11-26)9-19(27)23-10-15-7-8-22-12-24-15/h1-4,7-8,12,16-18,26H,5-6,9-11H2,(H,23,27)(H,25,28)/t16-,17+,18-/m1/s1" ; chebi:inchikey "KXCVLZMSFBFHGZ-FGTMMUONSA-N" ; chebi:mass "402.420" ; chebi:monoisotopicmass "402.17033" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101722" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide" . obo:CHEBI_101723 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O8S" ; chebi:inchi "InChI=1S/C27H35N3O8S/c1-6-39(33,34)28-20-8-10-22-21(12-20)27(32)29(4)14-25(35-5)17(2)13-30(18(3)15-36-22)26(31)19-7-9-23-24(11-19)38-16-37-23/h7-12,17-18,25,28H,6,13-16H2,1-5H3/t17-,18+,25-/m0/s1" ; chebi:inchikey "UZJARJIYRQCXCT-ATLLOTDBSA-N" ; chebi:mass "561.649" ; chebi:monoisotopicmass "561.21449" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC4=C(C=C3)OCO4)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101723" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-[1,3-benzodioxol-5-yl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_101724 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23+,25-,26-/m1/s1" ; chebi:inchikey "DIIJYNJFSHJSFY-PZXVYJQKSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "CN1C[C@@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@@H](CC1=O)C4=CC=CC=C4)C)C#N)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101724" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13086" . obo:CHEBI_101725 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H32FN5O5S" ; chebi:inchi "InChI=1S/C21H32FN5O5S/c1-15(19(32-5)11-26(4)33(30,31)20-12-25(3)14-23-20)10-27(16(2)13-28)21(29)24-18-8-6-17(22)7-9-18/h6-9,12,14-16,19,28H,10-11,13H2,1-5H3,(H,24,29)/t15-,16-,19-/m0/s1" ; chebi:inchikey "APPCZAALLCDYNG-BXWFABGCSA-N" ; chebi:mass "485.575" ; chebi:monoisotopicmass "485.21082" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101725" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]urea" . obo:CHEBI_101726 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-29-6-8-30(9-7-29)25(32)13-18-12-20-19-11-17(3-5-21(19)37-26(20)24(14-31)36-18)28-27(33)16-2-4-22-23(10-16)35-15-34-22/h2-5,10-11,18,20,24,26,31H,6-9,12-15H2,1H3,(H,28,33)/t18-,20-,24-,26+/m0/s1" ; chebi:inchikey "WXTNJIBEBHTDAA-IHJBEOSKSA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101726" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101727 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H45N3O4" ; chebi:inchi "InChI=1S/C29H45N3O4/c1-20-16-32(17-22-9-6-5-7-10-22)21(2)19-36-26-15-24(30-28(33)23-11-8-12-23)13-14-25(26)29(34)31(3)18-27(20)35-4/h13-15,20-23,27H,5-12,16-19H2,1-4H3,(H,30,33)/t20-,21+,27+/m1/s1" ; chebi:inchikey "ZYUAJIZJWFLNII-BUEREQSYSA-N" ; chebi:mass "499.686" ; chebi:monoisotopicmass "499.34101" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)CC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101727" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_101728 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-10-9-20(27-24(30)18-7-6-8-19(26)11-18)12-21(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17+,23-/m1/s1" ; chebi:inchikey "CFNBOAHXJHVCOD-SAHWJRBASA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101728" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101729 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30F2N2O5S" ; chebi:inchi "InChI=1S/C23H30F2N2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17+,22-/m1/s1" ; chebi:inchikey "PIEMZAFCKVBYBS-HYFFOGBASA-N" ; chebi:mass "484.558" ; chebi:monoisotopicmass "484.18435" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101729" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_101730 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O6" ; chebi:inchi "InChI=1S/C20H28N2O6/c1-3-6-21-18(24)9-13-8-15-14-7-12(22-19(25)11-26-2)4-5-16(14)28-20(15)17(10-23)27-13/h4-5,7,13,15,17,20,23H,3,6,8-11H2,1-2H3,(H,21,24)(H,22,25)/t13-,15+,17+,20-/m0/s1" ; chebi:inchikey "ZWJVDCAUIXXXGX-XEQBAVFLSA-N" ; chebi:mass "392.447" ; chebi:monoisotopicmass "392.19474" ; chebi:smiles "CCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101730" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_101731 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C30H37N3O3" ; chebi:inchi "InChI=1S/C30H37N3O3/c1-2-14-32-27-24(17-33-26(27)13-12-23(30(33)36)19-8-4-3-5-9-19)25(18-34)28(32)29(35)31-22-15-20-10-6-7-11-21(20)16-22/h6-8,10-13,22,24-25,27-28,34H,2-5,9,14-18H2,1H3,(H,31,35)/t24-,25-,27+,28-/m1/s1" ; chebi:inchikey "OSYNMQZPZHDZRS-QKBZBAIHSA-N" ; chebi:mass "487.634" ; chebi:monoisotopicmass "487.28349" ; chebi:smiles "CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CCCCC4)[C@H]([C@@H]1C(=O)NC5CC6=CC=CC=C6C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101731" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-6-oxo-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101732 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C27H37N5O4" ; chebi:inchi "InChI=1S/C27H37N5O4/c1-2-11-31-24-21(17-32-23(24)5-4-20(27(32)35)19-6-9-28-10-7-19)22(18-33)25(31)26(34)29-8-3-12-30-13-15-36-16-14-30/h4-7,9-10,21-22,24-25,33H,2-3,8,11-18H2,1H3,(H,29,34)/t21-,22-,24+,25-/m1/s1" ; chebi:inchikey "DECXYAQNRLUUJQ-YQIMAOPZSA-N" ; chebi:mass "495.615" ; chebi:monoisotopicmass "495.28455" ; chebi:smiles "CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=NC=C4)[C@H]([C@@H]1C(=O)NCCCN5CCOCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101732" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-N-[3-(4-morpholinyl)propyl]-6-oxo-1-propyl-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101733 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O6S" ; chebi:inchi "InChI=1S/C22H27FN2O6S/c1-30-19-7-2-3-8-21(19)32(28,29)25-18-10-9-17(31-20(18)14-26)12-22(27)24-13-15-5-4-6-16(23)11-15/h2-8,11,17-18,20,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,18-,20+/m0/s1" ; chebi:inchikey "ZNMNRMGCWQWZTD-CMKODMSKSA-N" ; chebi:mass "466.525" ; chebi:monoisotopicmass "466.15739" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101733" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_101734 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-16-12-30(13-19-6-7-19)17(2)15-34-23-9-8-20(27-25(31)22-10-18(3)35-28-22)11-21(23)26(32)29(4)14-24(16)33-5/h8-11,16-17,19,24H,6-7,12-15H2,1-5H3,(H,27,31)/t16-,17-,24-/m1/s1" ; chebi:inchikey "VFFXTZRIOLHXNX-HOZJOUCCSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101734" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_101735 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H34N2O6" ; chebi:inchi "InChI=1S/C31H34N2O6/c34-25-17-33(16-21-6-13-28-29(14-21)38-20-37-28)27-12-11-26(39-30(27)19-36-18-25)15-31(35)32-24-9-7-23(8-10-24)22-4-2-1-3-5-22/h1-10,13-14,25-27,30,34H,11-12,15-20H2,(H,32,35)/t25-,26-,27+,30-/m0/s1" ; chebi:inchikey "OJBHRHOQEWVARJ-MHTMXISKSA-N" ; chebi:mass "530.613" ; chebi:monoisotopicmass "530.24169" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC4=C(C=C3)OCO4)O)O[C@@H]1CC(=O)NC5=CC=C(C=C5)C6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101735" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101736 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H31N3O6" ; chebi:inchi "InChI=1S/C21H31N3O6/c1-23(2)20(26)10-17-7-8-18-19(30-17)13-29-12-15(25)11-24(18)21(27)22-14-5-4-6-16(9-14)28-3/h4-6,9,15,17-19,25H,7-8,10-13H2,1-3H3,(H,22,27)/t15-,17-,18+,19-/m1/s1" ; chebi:inchikey "SSPYWNJKRFMGCQ-OQIJWPOYSA-N" ; chebi:mass "421.488" ; chebi:monoisotopicmass "421.22129" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)NC3=CC(=CC=C3)OC)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101736" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101737 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O7S" ; chebi:inchi "InChI=1S/C22H25ClN2O7S/c23-15-2-5-17(6-3-15)33(28,29)25-18-7-4-16(32-21(18)12-26)9-10-24-22(27)14-1-8-19-20(11-14)31-13-30-19/h1-3,5-6,8,11,16,18,21,25-26H,4,7,9-10,12-13H2,(H,24,27)/t16-,18-,21-/m0/s1" ; chebi:inchikey "WVRHSCPXBJSNMQ-MDKPJZGXSA-N" ; chebi:mass "496.963" ; chebi:monoisotopicmass "496.10710" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCNC(=O)C2=CC3=C(C=C2)OCO3)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101737" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6R)-5-[(4-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101738 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H39N3O5" ; chebi:inchi "InChI=1S/C25H39N3O5/c1-31-21-6-4-19(5-7-21)15-28-16-20(29)17-32-18-24-23(28)9-8-22(33-24)14-25(30)26-10-13-27-11-2-3-12-27/h4-7,20,22-24,29H,2-3,8-18H2,1H3,(H,26,30)/t20-,22+,23-,24+/m1/s1" ; chebi:inchikey "JSQZMBUYZHIIMM-ONTLXTELSA-N" ; chebi:mass "461.595" ; chebi:monoisotopicmass "461.28897" ; chebi:smiles "COC1=CC=C(C=C1)CN2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCCN4CCCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101738" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide" . obo:CHEBI_101739 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H40N6O6" ; chebi:inchi "InChI=1S/C33H40N6O6/c1-20-31(21(2)45-37-20)36-33(42)35-23-9-12-28-26(15-23)32(41)38(3)27-11-10-25(44-29(27)19-43-28)16-30(40)34-24-13-14-39(18-24)17-22-7-5-4-6-8-22/h4-9,12,15,24-25,27,29H,10-11,13-14,16-19H2,1-3H3,(H,34,40)(H2,35,36,42)/t24-,25-,27-,29+/m0/s1" ; chebi:inchikey "JZQJXXSKGFWMTL-SEGPTPNXSA-N" ; chebi:mass "616.709" ; chebi:monoisotopicmass "616.30093" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@H](O4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101739" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_10174 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C3H4N2O2R2" ; chebi:mass "100.076" ; chebi:monoisotopicmass "100.02728" ; chebi:smiles "[*]NC(=O)CNC([*])=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10174" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Pyruvate formate-lyase]-glycine" . obo:CHEBI_101740 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-9-8-19(11-20(21)23(30)29(3)13-22(15)32-4)28-24(31)27-18-7-5-6-17(25)10-18/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16-,22-/m0/s1" ; chebi:inchikey "WJKSFTDVZIMVMK-WCJKSRRJSA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101740" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101741 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c25-18-3-1-2-16(10-18)12-27-23(30)11-20-4-5-21-22(33-20)15-32-14-19(29)13-28(21)24(31)17-6-8-26-9-7-17/h1-3,6-10,19-22,29H,4-5,11-15H2,(H,27,30)/t19-,20-,21+,22-/m1/s1" ; chebi:inchikey "VWRSVZSWDSMGOW-YUMYIRISSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)C3=CC=NC=C3)O)O[C@H]1CC(=O)NCC4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101741" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_101742 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H33N5O3S" ; chebi:inchi "InChI=1S/C33H33N5O3S/c1-33(2,3)42(41)38-21-27-18-28(32(40)36-20-22-10-13-35-14-11-22)37-31(30(27)29(38)12-15-39)26-9-5-8-25(17-26)24-7-4-6-23(16-24)19-34/h4-11,13-14,16-18,29,39H,12,15,20-21H2,1-3H3,(H,36,40)/t29-,42-/m1/s1" ; chebi:inchikey "AXJWSZCRWHPALT-LIIBOVGXSA-N" ; chebi:mass "579.714" ; chebi:monoisotopicmass "579.23041" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101742" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101743 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30FN3O6S" ; chebi:inchi "InChI=1S/C21H30FN3O6S/c22-17-4-1-2-5-20(17)32(28,29)24-18-7-6-16(31-19(18)15-26)14-21(27)23-8-3-9-25-10-12-30-13-11-25/h1-2,4-7,16,18-19,24,26H,3,8-15H2,(H,23,27)/t16-,18+,19+/m1/s1" ; chebi:inchikey "XLDWFJCTUAPIOT-NEWSRXKRSA-N" ; chebi:mass "471.545" ; chebi:monoisotopicmass "471.18394" ; chebi:smiles "C1COCCN1CCCNC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101743" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101744 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H33N5O5" ; chebi:inchi "InChI=1S/C23H33N5O5/c1-32-19-7-3-2-6-17(19)24-22(30)25-18-9-8-16(33-20(18)15-29)10-13-28-14-21(26-27-28)23(31)11-4-5-12-23/h2-3,6-7,14,16,18,20,29,31H,4-5,8-13,15H2,1H3,(H2,24,25,30)/t16-,18+,20-/m0/s1" ; chebi:inchikey "OLUPXTRBOWIZHH-HQRMLTQVSA-N" ; chebi:mass "459.540" ; chebi:monoisotopicmass "459.24817" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCN3C=C(N=N3)C4(CCCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101744" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_101745 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-9-10-23-24(13-22)36-18-20(3)32(16-21-8-7-12-28-14-21)15-19(2)25(35-5)17-31(4)26(23)33/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25+/m0/s1" ; chebi:inchikey "CHKBOEGZXMMFCS-WZOHSFFVSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@@H](CO2)C)CC3=CN=CC=C3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101745" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_101746 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34F3N3O4" ; chebi:inchi "InChI=1S/C24H34F3N3O4/c1-15-12-30(10-9-24(25,26)27)16(2)14-34-20-8-7-18(28-22(31)17-5-6-17)11-19(20)23(32)29(3)13-21(15)33-4/h7-8,11,15-17,21H,5-6,9-10,12-14H2,1-4H3,(H,28,31)/t15-,16+,21+/m0/s1" ; chebi:inchikey "LPOPNFSKLDAMKV-GCKMJXCFSA-N" ; chebi:mass "485.541" ; chebi:monoisotopicmass "485.25014" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101746" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101747 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O4" ; chebi:inchi "InChI=1S/C27H36FN3O4/c1-6-13-31-15-18(2)25(34-5)16-30(4)27(33)22-12-11-20(14-24(22)35-17-19(31)3)29-26(32)21-9-7-8-10-23(21)28/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H,29,32)/t18-,19-,25-/m1/s1" ; chebi:inchikey "HGUJNTNFLCOWHI-MPCDZSKCSA-N" ; chebi:mass "485.592" ; chebi:monoisotopicmass "485.26898" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101747" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101748 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H30FN3O4" ; chebi:inchi "InChI=1S/C22H30FN3O4/c23-16-7-4-8-17(11-16)25-22(29)26-19-10-9-18(30-20(19)14-27)12-21(28)24-13-15-5-2-1-3-6-15/h4,7-11,15,18-20,27H,1-3,5-6,12-14H2,(H,24,28)(H2,25,26,29)/t18-,19+,20+/m0/s1" ; chebi:inchikey "PGYGWAGYUXBZHY-XUVXKRRUSA-N" ; chebi:mass "419.491" ; chebi:monoisotopicmass "419.22203" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101748" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(cyclohexylmethyl)-2-[(2S,3R,6R)-3-[[(3-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101749 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(18(3)31)17(2)15-35-23-11-10-19(28-25(32)20-8-6-7-9-22(20)27)12-21(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,32)/t16-,17-,24+/m0/s1" ; chebi:inchikey "MJQDMCPXEXXQJL-WOGXIUBCSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101749" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide" . obo:CHEBI_10175 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C3H3N2O2R2" ; chebi:mass "99.068" ; chebi:monoisotopicmass "99.01945" ; chebi:smiles "[*]NC(=O)[CH]NC([*])=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10175" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Pyruvate formate-lyase]-glycine radical" . obo:CHEBI_101750 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H27ClN2O4" ; chebi:inchi "InChI=1S/C20H27ClN2O4/c21-15-5-3-14(4-6-15)11-22-19(25)10-16-7-8-17(18(12-24)27-16)23-20(26)9-13-1-2-13/h3-6,13,16-18,24H,1-2,7-12H2,(H,22,25)(H,23,26)/t16-,17+,18-/m0/s1" ; chebi:inchikey "QFAVGRCFIOJHOR-KSZLIROESA-N" ; chebi:mass "394.893" ; chebi:monoisotopicmass "394.16594" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)NCC2=CC=C(C=C2)Cl)CO)NC(=O)CC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101750" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-cyclopropylacetamide" . obo:CHEBI_101751 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30F3N3O5" ; chebi:inchi "InChI=1S/C31H30F3N3O5/c32-31(33,34)20-5-7-21(8-6-20)35-30(40)36-22-9-10-26-24(13-22)25-14-23(41-27(17-38)29(25)42-26)15-28(39)37-12-11-18-3-1-2-4-19(18)16-37/h1-10,13,23,25,27,29,38H,11-12,14-17H2,(H2,35,36,40)/t23-,25-,27-,29+/m1/s1" ; chebi:inchikey "HHNPVBFCYHNCMG-ACEYUQJJSA-N" ; chebi:mass "581.583" ; chebi:monoisotopicmass "581.21376" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)NC6=CC=C(C=C6)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101751" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101752 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-16-32(21(2)18-33)28(34)25-13-8-7-12-24(25)23-11-6-5-10-22(23)19-36-27(20)17-31(4)29(35)26-14-9-15-30(26)3/h5-8,10-13,20-21,26-27,33H,9,14-19H2,1-4H3/t20-,21-,26+,27+/m1/s1" ; chebi:inchikey "PIMBJQHAALXIRA-UXUXNBJMSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H]4CCCN4C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101752" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13114" . obo:CHEBI_101753 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H31N3O3" ; chebi:inchi "InChI=1S/C21H31N3O3/c1-2-22-21(27)20-16(13-25)15-12-23-17(9-6-10-18(23)26)19(15)24(20)11-14-7-4-3-5-8-14/h6,9-10,14-16,19-20,25H,2-5,7-8,11-13H2,1H3,(H,22,27)/t15-,16-,19+,20-/m1/s1" ; chebi:inchikey "ZLPHSXDBJGBVPE-YAJHFMINSA-N" ; chebi:mass "373.490" ; chebi:monoisotopicmass "373.23654" ; chebi:smiles "CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@H]2N1CC4CCCCC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101753" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-(cyclohexylmethyl)-N-ethyl-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101754 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31F3N2O4S" ; chebi:inchi "InChI=1S/C23H31F3N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17+,23-/m0/s1" ; chebi:inchikey "HABLAPXLJDLSLY-MFEFFIJZSA-N" ; chebi:mass "488.565" ; chebi:monoisotopicmass "488.19566" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101754" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101755 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C23H27FN4O5" ; chebi:inchi "InChI=1S/C23H27FN4O5/c24-16-3-1-15(2-4-16)10-27-22(30)9-18-5-6-20-21(33-18)14-32-13-17(29)12-28(20)23(31)19-11-25-7-8-26-19/h1-4,7-8,11,17-18,20-21,29H,5-6,9-10,12-14H2,(H,27,30)/t17-,18+,20-,21+/m0/s1" ; chebi:inchikey "AVCDQRNGDYLZTC-IZZBFERCSA-N" ; chebi:mass "458.484" ; chebi:monoisotopicmass "458.19655" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=NC=CN=C3)O)O[C@H]1CC(=O)NCC4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101755" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_101756 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-16(17-7-3-2-4-8-17)25-23(29)14-19-10-11-20(21(15-27)30-19)26-22(28)13-18-9-5-6-12-24-18/h2-12,16,19-21,27H,13-15H2,1H3,(H,25,29)(H,26,28)/t16-,19-,20+,21+/m1/s1" ; chebi:inchikey "GWEQQAXOIQTOQH-DBOLQNLKSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101756" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101757 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H30F3N3O6" ; chebi:inchi "InChI=1S/C30H30F3N3O6/c1-40-24-5-3-2-4-17(24)15-34-27(38)14-21-13-23-22-12-20(10-11-25(22)42-28(23)26(16-37)41-21)36-29(39)35-19-8-6-18(7-9-19)30(31,32)33/h2-12,21,23,26,28,37H,13-16H2,1H3,(H,34,38)(H2,35,36,39)/t21-,23-,26+,28+/m1/s1" ; chebi:inchikey "SYQUHMCSVCULSJ-YZJMKMORSA-N" ; chebi:mass "585.572" ; chebi:monoisotopicmass "585.20867" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101757" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101758 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H34N2O6" ; chebi:inchi "InChI=1S/C24H34N2O6/c27-18-13-26(12-17-4-7-21-22(10-17)31-16-30-21)20-6-5-19(32-23(20)15-29-14-18)11-24(28)25-8-2-1-3-9-25/h4,7,10,18-20,23,27H,1-3,5-6,8-9,11-16H2/t18-,19+,20-,23+/m1/s1" ; chebi:inchikey "TYHBJRPCTKOJBR-AWWSKVOZSA-N" ; chebi:mass "446.537" ; chebi:monoisotopicmass "446.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3CC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101758" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_101759 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O8S" ; chebi:inchi "InChI=1S/C26H32N2O8S/c1-17-2-6-21(7-3-17)37(31,32)28-13-19(29)14-33-15-25-22(28)8-5-20(36-25)11-26(30)27-12-18-4-9-23-24(10-18)35-16-34-23/h2-4,6-7,9-10,19-20,22,25,29H,5,8,11-16H2,1H3,(H,27,30)/t19-,20-,22-,25+/m0/s1" ; chebi:inchikey "HNAQDDNENYJUKU-VCWGXOKSSA-N" ; chebi:mass "532.608" ; chebi:monoisotopicmass "532.18794" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101759" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_101760 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C21H23N3O4" ; chebi:inchi "InChI=1S/C21H23N3O4/c25-14-19-18(24-20(26)11-15-5-4-10-22-13-15)9-8-17(28-19)12-21(27)23-16-6-2-1-3-7-16/h1-10,13,17-19,25H,11-12,14H2,(H,23,27)(H,24,26)/t17-,18+,19+/m0/s1" ; chebi:inchikey "XLYDKAUYLYXOHP-IPMKNSEASA-N" ; chebi:mass "381.426" ; chebi:monoisotopicmass "381.16886" ; chebi:smiles "C1=CC=C(C=C1)NC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101760" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide" . obo:CHEBI_101761 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27ClN4O4" ; chebi:inchi "InChI=1S/C22H27ClN4O4/c23-15-4-6-16(7-5-15)26-22(30)27-19-9-8-18(31-20(19)14-28)10-12-25-21(29)13-17-3-1-2-11-24-17/h1-7,11,18-20,28H,8-10,12-14H2,(H,25,29)(H2,26,27,30)/t18-,19+,20-/m1/s1" ; chebi:inchikey "JTIOTWTUDVMQPE-HSALFYBXSA-N" ; chebi:mass "446.928" ; chebi:monoisotopicmass "446.17208" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCNC(=O)CC2=CC=CC=N2)CO)NC(=O)NC3=CC=C(C=C3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101761" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_101762 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H32N2O7S" ; chebi:inchi "InChI=1S/C21H32N2O7S/c1-28-18-4-2-3-5-20(18)31(26,27)23-17-7-6-16(30-19(17)14-24)8-11-22-21(25)15-9-12-29-13-10-15/h2-5,15-17,19,23-24H,6-14H2,1H3,(H,22,25)/t16-,17+,19+/m0/s1" ; chebi:inchikey "BDFFQCHCBQOAPA-YQVWRLOYSA-N" ; chebi:mass "456.555" ; chebi:monoisotopicmass "456.19302" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)C3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101762" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide" . obo:CHEBI_101763 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O6" ; chebi:inchi "InChI=1S/C22H29Cl2N3O6/c23-14-7-15(24)9-16(8-14)25-22(30)27-11-17(28)12-32-13-20-19(27)2-1-18(33-20)10-21(29)26-3-5-31-6-4-26/h7-9,17-20,28H,1-6,10-13H2,(H,25,30)/t17-,18-,19+,20-/m1/s1" ; chebi:inchikey "IDLNHXHJUITYBI-YSTOQKLRSA-N" ; chebi:mass "502.389" ; chebi:monoisotopicmass "501.14334" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)NC3=CC(=CC(=C3)Cl)Cl)O)O[C@H]1CC(=O)N4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101763" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101764 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H37FN4O3" ; chebi:inchi "InChI=1S/C29H37FN4O3/c1-21(17-34(22(2)20-35)29(36)32-26-14-12-25(30)13-15-26)28(37-4)19-33(3)18-23-8-10-24(11-9-23)27-7-5-6-16-31-27/h5-16,21-22,28,35H,17-20H2,1-4H3,(H,32,36)/t21-,22+,28-/m1/s1" ; chebi:inchikey "XSSRKRLNCLGOQF-RZIGYZOXSA-N" ; chebi:mass "508.629" ; chebi:monoisotopicmass "508.28497" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC=C(C=C2)C3=CC=CC=N3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101764" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea" . obo:CHEBI_101765 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-15-8-9-16-29(28)35(32)4)27-14-7-6-11-24(27)21-42-30(22)19-34(3)43(39,40)26-13-10-12-25(17-26)41-5/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23+,30-/m1/s1" ; chebi:inchikey "ZFRPCBGONKGXGW-DUELTEGESA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101765" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13127" . obo:CHEBI_101766 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C23H26N2O6S" ; chebi:inchi "InChI=1S/C23H26N2O6S/c1-25-18-7-6-15(11-22(27)29-2)31-20(18)13-30-19-8-5-14(10-17(19)23(25)28)24-21(26)12-16-4-3-9-32-16/h3-5,8-10,15,18,20H,6-7,11-13H2,1-2H3,(H,24,26)/t15-,18-,20+/m0/s1" ; chebi:inchikey "VIAXYKVUXVILCJ-ZAAXVRCTSA-N" ; chebi:mass "458.529" ; chebi:monoisotopicmass "458.15116" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101766" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101767 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C35H44N4O4S" ; chebi:inchi "InChI=1S/C35H44N4O4S/c1-35(2,3)44(43)39-22-27-21-29(33(41)36-28-15-7-6-8-16-28)37-32(31(27)30(39)17-18-40)25-13-9-11-23(19-25)24-12-10-14-26(20-24)34(42)38(4)5/h9-14,19-21,28,30,40H,6-8,15-18,22H2,1-5H3,(H,36,41)/t30-,44-/m0/s1" ; chebi:inchikey "YEVZUBCSLLXCKN-PDWOKFFSSA-N" ; chebi:mass "616.816" ; chebi:monoisotopicmass "616.30833" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101767" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[3-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101768 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H20FN3OS" ; chebi:inchi "InChI=1S/C22H20FN3OS/c1-2-18-12-25-22(28-18)26-19(11-24)21(20(26)13-27)15-8-6-14(7-9-15)16-4-3-5-17(23)10-16/h3-10,12,19-21,27H,2,13H2,1H3/t19-,20-,21-/m0/s1" ; chebi:inchikey "IQRVCTXELZIWDH-ACRUOGEOSA-N" ; chebi:mass "393.479" ; chebi:monoisotopicmass "393.13111" ; chebi:smiles "CCC1=CN=C(S1)N2[C@H]([C@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101768" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101769 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H27N3O2" ; chebi:inchi "InChI=1S/C21H27N3O2/c1-2-12-23-21(26)24-18(13-22)20(19(24)14-25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h6,8-11,18-20,25H,2-5,7,12,14H2,1H3,(H,23,26)/t18-,19+,20+/m0/s1" ; chebi:inchikey "BSUDBHASFVKNIG-XUVXKRRUSA-N" ; chebi:mass "353.459" ; chebi:monoisotopicmass "353.21033" ; chebi:smiles "CCCNC(=O)N1[C@@H]([C@@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CCCCC3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101769" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4S)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide" . obo:CHEBI_101770 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C21H29N3O4" ; chebi:inchi "InChI=1S/C21H29N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-8,13,16-19,25H,9-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18-,19+/m1/s1" ; chebi:inchikey "PBTCYEHOLZFKGG-QRVBRYPASA-N" ; chebi:mass "387.473" ; chebi:monoisotopicmass "387.21581" ; chebi:smiles "CC(C)NC(=O)N[C@@H]1C=C[C@@H](O[C@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101770" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101771 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-30-10-9-24-22(27)13-16-12-19-18-11-15(25-33(28,29)17-5-3-2-4-6-17)7-8-20(18)32-23(19)21(14-26)31-16/h2-8,11,16,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t16-,19+,21-,23-/m0/s1" ; chebi:inchikey "GQLDDSCVBIFPRR-RZNKLVQRSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "COCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101771" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101772 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C26H31N3O5S" ; chebi:inchi "InChI=1S/C26H31N3O5S/c1-28-20-9-8-18(15-24(30)29-11-3-2-4-12-29)34-22(20)16-33-21-10-7-17(14-19(21)26(28)32)27-25(31)23-6-5-13-35-23/h5-7,10,13-14,18,20,22H,2-4,8-9,11-12,15-16H2,1H3,(H,27,31)/t18-,20+,22-/m1/s1" ; chebi:inchikey "IFOOEWPAOUEVPY-KAGYGMCKSA-N" ; chebi:mass "497.609" ; chebi:monoisotopicmass "497.19844" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101772" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide" . obo:CHEBI_101773 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H28N2O5" ; chebi:inchi "InChI=1S/C28H28N2O5/c31-19-26-25(30-28(33)21-7-3-1-4-8-21)16-15-24(35-26)17-27(32)29-18-20-11-13-23(14-12-20)34-22-9-5-2-6-10-22/h1-16,24-26,31H,17-19H2,(H,29,32)(H,30,33)/t24-,25-,26+/m1/s1" ; chebi:inchikey "KKHGDJJULHRULI-CYXNTTPDSA-N" ; chebi:mass "472.533" ; chebi:monoisotopicmass "472.19982" ; chebi:smiles "C1=CC=C(C=C1)C(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101773" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_101774 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O7" ; chebi:inchi "InChI=1S/C21H28N2O7/c1-27-12-19(25)22-13-2-3-17-15(8-13)16-9-14(29-18(11-24)21(16)30-17)10-20(26)23-4-6-28-7-5-23/h2-3,8,14,16,18,21,24H,4-7,9-12H2,1H3,(H,22,25)/t14-,16-,18-,21+/m0/s1" ; chebi:inchikey "YLZXNIXKCHRFQK-YZZRYBLGSA-N" ; chebi:mass "420.457" ; chebi:monoisotopicmass "420.18965" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)N4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101774" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-methoxyacetamide" . obo:CHEBI_101775 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H36F3N3O5" ; chebi:inchi "InChI=1S/C24H36F3N3O5/c1-16(21(34-4)14-29(3)22(32)18-9-11-35-12-10-18)13-30(17(2)15-31)23(33)28-20-7-5-19(6-8-20)24(25,26)27/h5-8,16-18,21,31H,9-15H2,1-4H3,(H,28,33)/t16-,17+,21-/m1/s1" ; chebi:inchikey "NYUANTAUILYKHE-LLGFUMIMSA-N" ; chebi:mass "503.556" ; chebi:monoisotopicmass "503.26071" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101775" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_101776 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H24F2N2O6S" ; chebi:inchi "InChI=1S/C22H24F2N2O6S/c1-33(29,30)26-14-3-5-19-16(7-14)17-8-15(31-20(11-27)22(17)32-19)9-21(28)25-10-12-6-13(23)2-4-18(12)24/h2-7,15,17,20,22,26-27H,8-11H2,1H3,(H,25,28)/t15-,17-,20-,22+/m0/s1" ; chebi:inchikey "IELDZLYSVNRCSJ-HSSHKJKNSA-N" ; chebi:mass "482.499" ; chebi:monoisotopicmass "482.13231" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101776" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101777 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H29FN4O3" ; chebi:inchi "InChI=1S/C28H29FN4O3/c29-18-9-7-17(8-10-18)21-11-12-24-25-22(15-32(24)28(21)36)23(16-34)26(27(35)31-19-5-3-6-19)33(25)14-20-4-1-2-13-30-20/h1-2,4,7-13,19,22-23,25-26,34H,3,5-6,14-16H2,(H,31,35)/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "GFQXIANWUUUKJA-LJCOXQHRSA-N" ; chebi:mass "488.554" ; chebi:monoisotopicmass "488.22237" ; chebi:smiles "C1CC(C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=C(C=C5)F)[C@@H]3N2CC6=CC=CC=N6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101777" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-cyclobutyl-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101778 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H31ClN2O7S" ; chebi:inchi "InChI=1S/C24H31ClN2O7S/c1-16(12-27(17(2)14-28)35(30,31)20-8-6-19(25)7-9-20)23(32-4)13-26(3)24(29)18-5-10-21-22(11-18)34-15-33-21/h5-11,16-17,23,28H,12-15H2,1-4H3/t16-,17+,23-/m0/s1" ; chebi:inchikey "KWUJCNXGEDOTIS-MFEFFIJZSA-N" ; chebi:mass "527.032" ; chebi:monoisotopicmass "526.15405" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101778" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101779 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15-6-9-17(10-7-15)31(28,29)25-20-11-8-16(30-21(20)14-26)12-13-24-22(27)18-4-2-3-5-19(18)23/h2-7,9-10,16,20-21,25-26H,8,11-14H2,1H3,(H,24,27)/t16-,20-,21-/m0/s1" ; chebi:inchikey "SBFIZHFYYISGJV-NDXORKPFSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCNC(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101779" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide" . obo:CHEBI_10178 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C8H15N3O2R2" ; chebi:mass "185.224" ; chebi:monoisotopicmass "185.11643" ; chebi:smiles "CNCCCC[C@H](NC([*])=O)C(=O)N[*]" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10178" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Ribulose-1,5-bisphosphate-carboxylase]-N6-methyl-L-lysine" . obo:CHEBI_101780 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O7S" ; chebi:inchi "InChI=1S/C22H25ClN2O7S/c23-15-2-5-17(6-3-15)33(28,29)25-18-7-4-16(32-21(18)12-26)9-10-24-22(27)14-1-8-19-20(11-14)31-13-30-19/h1-3,5-6,8,11,16,18,21,25-26H,4,7,9-10,12-13H2,(H,24,27)/t16-,18+,21-/m1/s1" ; chebi:inchikey "WVRHSCPXBJSNMQ-PLMTUMEDSA-N" ; chebi:mass "496.963" ; chebi:monoisotopicmass "496.10710" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCNC(=O)C2=CC3=C(C=C2)OCO3)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101780" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6S)-5-[(4-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101781 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-19-6-4-7-21(12-19)39(34,35)31-18-9-10-25-22(11-18)23-13-20(37-26(16-32)28(23)38-25)14-27(33)30-15-17-5-2-3-8-24(17)29/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23+,26-,28-/m1/s1" ; chebi:inchikey "UQAGOAYYXRCKNS-SJPQFPLUSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101781" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101782 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30N2O7" ; chebi:inchi "InChI=1S/C31H30N2O7/c34-16-28-30-24(13-22(39-28)14-29(35)33-10-9-18-3-1-2-4-20(18)15-33)23-12-21(6-8-25(23)40-30)32-31(36)19-5-7-26-27(11-19)38-17-37-26/h1-8,11-12,22,24,28,30,34H,9-10,13-17H2,(H,32,36)/t22-,24+,28+,30-/m1/s1" ; chebi:inchikey "DMKXNQOLMYQXCN-KKGYKCSESA-N" ; chebi:mass "542.580" ; chebi:monoisotopicmass "542.20530" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@@H]4[C@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CC7=C(C=C6)OCO7" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101782" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101783 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H25N3O5" ; chebi:inchi "InChI=1S/C22H25N3O5/c1-25(2)20(27)10-15-9-17-16-8-14(24-22(28)13-4-3-7-23-11-13)5-6-18(16)30-21(17)19(12-26)29-15/h3-8,11,15,17,19,21,26H,9-10,12H2,1-2H3,(H,24,28)/t15-,17+,19-,21-/m0/s1" ; chebi:inchikey "IUZUJTQXZTXMFN-MRCYXTNMSA-N" ; chebi:mass "411.452" ; chebi:monoisotopicmass "411.17942" ; chebi:smiles "CN(C)C(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101783" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101784 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H31N3O6" ; chebi:inchi "InChI=1S/C29H31N3O6/c1-36-24-5-3-2-4-19(24)16-31-27(34)15-21-14-23-22-13-20(32-28(35)12-18-8-10-30-11-9-18)6-7-25(22)38-29(23)26(17-33)37-21/h2-11,13,21,23,26,29,33H,12,14-17H2,1H3,(H,31,34)(H,32,35)/t21-,23+,26+,29-/m1/s1" ; chebi:inchikey "ZGXOXQUBSYKGRY-MJMMSJOPSA-N" ; chebi:mass "517.574" ; chebi:monoisotopicmass "517.22129" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101784" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101785 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18-,20-,21-/m1/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-ZQYQINFJSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101785" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101786 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19-,20-/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-HUYLIWGRSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101786" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_101787 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18+,19+,20-/m0/s1" ; chebi:inchikey "YSDDRAAKFDNITG-OBZTUIKSSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101787" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_101788 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-13(2)24-21(27)25-18(11-23)20(19(25)12-26)16-5-3-14(4-6-16)15-7-9-17(22)10-8-15/h3-10,13,18-20,26H,12H2,1-2H3,(H,24,27)/t18-,19+,20+/m0/s1" ; chebi:inchikey "GQNJFXBZXQABNJ-XUVXKRRUSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CC(C)NC(=O)N1[C@@H]([C@@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101788" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide" . obo:CHEBI_101789 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H23N3OS" ; chebi:inchi "InChI=1S/C21H23N3OS/c1-4-17-12-23-21(26-17)24-18(11-22)20(19(24)13-25)16-9-7-15(8-10-16)6-5-14(2)3/h7-10,12,14,18-20,25H,4,13H2,1-3H3/t18-,19-,20+/m1/s1" ; chebi:inchikey "DBBLKINRPPNEJI-AQNXPRMDSA-N" ; chebi:mass "365.494" ; chebi:monoisotopicmass "365.15618" ; chebi:smiles "CCC1=CN=C(S1)N2[C@@H]([C@H]([C@H]2C#N)C3=CC=C(C=C3)C#CC(C)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101789" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_10179 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C7H13N3O2R2" ; chebi:mass "171.197" ; chebi:monoisotopicmass "171.10078" ; chebi:smiles "NCCCC[C@H](NC([*])=O)C(=O)N[*]" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10179" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Ribulose-1,5-bisphosphate-carboxylase]-lysine" . obo:CHEBI_101790 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H34FN3O5S" ; chebi:inchi "InChI=1S/C24H34FN3O5S/c1-17-10-12-20(13-11-17)34(31,32)27(4)15-23(33-5)18(2)14-28(19(3)16-29)24(30)26-22-9-7-6-8-21(22)25/h6-13,18-19,23,29H,14-16H2,1-5H3,(H,26,30)/t18-,19+,23-/m1/s1" ; chebi:inchikey "IMMALVOVYMCCKV-SELNLUPBSA-N" ; chebi:mass "495.609" ; chebi:monoisotopicmass "495.22032" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@H](C)CN([C@@H](C)CO)C(=O)NC2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101790" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea" . obo:CHEBI_101791 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C17H19F3N2O5" ; chebi:inchi "InChI=1S/C17H19F3N2O5/c1-26-15(24)8-12-6-7-13(14(9-23)27-12)22-16(25)21-11-4-2-10(3-5-11)17(18,19)20/h2-7,12-14,23H,8-9H2,1H3,(H2,21,22,25)/t12-,13-,14-/m0/s1" ; chebi:inchikey "PYGNPVIZRZQEAZ-IHRRRGAJSA-N" ; chebi:mass "388.339" ; chebi:monoisotopicmass "388.12461" ; chebi:smiles "COC(=O)C[C@@H]1C=C[C@@H]([C@@H](O1)CO)NC(=O)NC2=CC=C(C=C2)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101791" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester" . obo:CHEBI_101792 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C16H25N3O7S" ; chebi:inchi "InChI=1S/C16H25N3O7S/c1-18-7-15(17-10-18)27(22,23)19-6-11(20)8-25-9-14-13(19)4-3-12(26-14)5-16(21)24-2/h7,10-14,20H,3-6,8-9H2,1-2H3/t11-,12+,13+,14-/m0/s1" ; chebi:inchikey "HDTRYUIMSWCRLO-DGAVXFQQSA-N" ; chebi:mass "403.452" ; chebi:monoisotopicmass "403.14132" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)OC)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101792" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101793 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H24N2O5S" ; chebi:inchi "InChI=1S/C15H24N2O5S/c1-21-12-3-2-4-13(9-12)23(19,20)17-14-6-5-11(7-8-16)22-15(14)10-18/h2-4,9,11,14-15,17-18H,5-8,10,16H2,1H3/t11-,14+,15+/m1/s1" ; chebi:inchikey "FUQFZQORNFVFMN-UGFHNGPFSA-N" ; chebi:mass "344.428" ; chebi:monoisotopicmass "344.14059" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CCN" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101793" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide" . obo:CHEBI_101794 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31F2N3O5S" ; chebi:inchi "InChI=1S/C23H31F2N3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22+/m0/s1" ; chebi:inchikey "DYSXQKGXYVAXRN-GSHUGGBRSA-N" ; chebi:mass "499.573" ; chebi:monoisotopicmass "499.19525" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101794" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(2-fluorophenyl)-1-[(2S,3S)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_101795 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-35-19-10-5-7-17(13-19)14-28-26(33)24-20(16-31)22-15-29-21(11-6-12-23(29)32)25(24)30(22)27(34)18-8-3-2-4-9-18/h5-7,10-13,18,20,22,24-25,31H,2-4,8-9,14-16H2,1H3,(H,28,33)/t20-,22-,24+,25+/m0/s1" ; chebi:inchikey "PNHDRDYFFADBCF-MMTHZHQFSA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3C(=O)C5CCCCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101795" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13157" . obo:CHEBI_101796 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-25-12-5-8-21(27)26(2)15-20-19(29-3)10-9-17(31-20)11-13-30-22-16(14-24)6-4-7-18(22)23(25)28/h4,6-7,17,19-20H,5,8-13,15H2,1-3H3/t17-,19-,20+/m1/s1" ; chebi:inchikey "DXVJXLONGZUJOS-RLLQIKCJSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "CN1CCCC(=O)N(C[C@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C1=O)C#N)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101796" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13158" . obo:CHEBI_101797 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H36N4O5" ; chebi:inchi "InChI=1S/C29H36N4O5/c1-18-14-33(19(2)16-34)28(35)25-13-9-8-12-24(25)23-11-7-6-10-22(23)17-37-26(18)15-32(5)29(36)30-27-20(3)31-38-21(27)4/h6-13,18-19,26,34H,14-17H2,1-5H3,(H,30,36)/t18-,19-,26-/m1/s1" ; chebi:inchikey "SNXQORXMPHKSCQ-LJKQEARRSA-N" ; chebi:mass "520.621" ; chebi:monoisotopicmass "520.26857" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=C(ON=C4C)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101797" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13159" . obo:CHEBI_101798 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H37N3O6" ; chebi:inchi "InChI=1S/C29H37N3O6/c1-18-13-32(14-20-5-6-20)19(2)16-36-24-10-8-22(12-23(24)29(34)31(3)15-27(18)35-4)30-28(33)21-7-9-25-26(11-21)38-17-37-25/h7-12,18-20,27H,5-6,13-17H2,1-4H3,(H,30,33)/t18-,19-,27+/m1/s1" ; chebi:inchikey "KBKSWHGSXCIXAL-KFDHSVMUSA-N" ; chebi:mass "523.622" ; chebi:monoisotopicmass "523.26824" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101798" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101799 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25FN2O6" ; chebi:inchi "InChI=1S/C24H25FN2O6/c1-27-19-9-8-15(12-22(28)31-2)33-21(19)13-32-20-10-7-14(11-17(20)24(27)30)26-23(29)16-5-3-4-6-18(16)25/h3-7,10-11,15,19,21H,8-9,12-13H2,1-2H3,(H,26,29)/t15-,19-,21-/m1/s1" ; chebi:inchikey "QVBIDJFZXMTPPC-QFIXIFRTSA-N" ; chebi:mass "456.464" ; chebi:monoisotopicmass "456.16966" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101799" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_1018 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33406 ; chebi:charge "0" ; chebi:formula "C2H8AsNO3" ; chebi:inchi "InChI=1S/C2H8AsNO3/c4-2-1-3(5,6)7/h1-2,4H2,(H2,5,6,7)" ; chebi:inchikey "BWJNQNUSFBJWOA-UHFFFAOYSA-N" ; chebi:mass "169.012" ; chebi:monoisotopicmass "168.97201" ; chebi:smiles "NCC[As](O)(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:1018" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-Aminoethylarsonate" . obo:CHEBI_101800 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H25F2N3O5" ; chebi:inchi "InChI=1S/C27H25F2N3O5/c28-17-3-5-22(29)16(8-17)13-31-25(34)11-19-10-21-20-9-18(32-27(35)15-2-1-7-30-12-15)4-6-23(20)37-26(21)24(14-33)36-19/h1-9,12,19,21,24,26,33H,10-11,13-14H2,(H,31,34)(H,32,35)/t19-,21-,24+,26+/m0/s1" ; chebi:inchikey "MRHMXTIRULDPKA-FBNDAJROSA-N" ; chebi:mass "509.502" ; chebi:monoisotopicmass "509.17623" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101800" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101801 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C14H18N2O5" ; chebi:inchi "InChI=1S/C14H18N2O5/c17-8-12-11(2-1-10(21-12)7-13(18)19)16-14(20)9-3-5-15-6-4-9/h3-6,10-12,17H,1-2,7-8H2,(H,16,20)(H,18,19)/t10-,11+,12+/m1/s1" ; chebi:inchikey "PLQUATFCVTZMJC-WOPDTQHZSA-N" ; chebi:mass "294.304" ; chebi:monoisotopicmass "294.12157" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)O)CO)NC(=O)C2=CC=NC=C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101801" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid" . obo:CHEBI_101802 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O5" ; chebi:inchi "InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23-,29-,30-/m0/s1" ; chebi:inchikey "DVGPQCDULGSEFB-HKJOVFRDSA-N" ; chebi:mass "530.656" ; chebi:monoisotopicmass "530.27807" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](C4=CC=CC=C4)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101802" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13164" . obo:CHEBI_101803 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27N5O3" ; chebi:inchi "InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20-,22-/m0/s1" ; chebi:inchikey "HKZRXKNGDCOEMV-ONTIZHBOSA-N" ; chebi:mass "421.493" ; chebi:monoisotopicmass "421.21139" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=C3)CO)NC(=O)CC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101803" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_101804 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C32H39N3O4" ; chebi:inchi "InChI=1S/C32H39N3O4/c1-22-18-35(23(2)20-36)31(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-39-30(22)19-34(4)32(38)33-24(3)25-12-6-5-7-13-25/h5-17,22-24,30,36H,18-21H2,1-4H3,(H,33,38)/t22-,23-,24+,30+/m1/s1" ; chebi:inchikey "VBARFQGDBKSOKL-UCTCLUAXSA-N" ; chebi:mass "529.671" ; chebi:monoisotopicmass "529.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101804" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13166" . obo:CHEBI_101805 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-10-6-8-19(24)12-21)22(32-4)14-25(3)33(28,29)20-9-5-7-18(23)11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17-,22+/m0/s1" ; chebi:inchikey "WFGAJOALFFTPKS-PNLZDCPESA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101805" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3S)-4-[(3-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_101806 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C33H34N4O5S" ; chebi:inchi "InChI=1S/C33H34N4O5S/c1-33(2,3)43(40)37-19-25-16-26(32(39)35-17-21-9-10-28-29(14-21)42-20-41-28)36-31(30(25)27(37)11-13-38)23-7-4-6-22(15-23)24-8-5-12-34-18-24/h4-10,12,14-16,18,27,38H,11,13,17,19-20H2,1-3H3,(H,35,39)/t27-,43-/m0/s1" ; chebi:inchikey "JSQFWOWYOCZIMF-AMDSOUHQSA-N" ; chebi:mass "598.714" ; chebi:monoisotopicmass "598.22499" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101806" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101807 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H32N2O7S" ; chebi:inchi "InChI=1S/C24H32N2O7S/c1-17(13-26(18(2)15-27)34(29,30)20-8-6-5-7-9-20)23(31-4)14-25(3)24(28)19-10-11-21-22(12-19)33-16-32-21/h5-12,17-18,23,27H,13-16H2,1-4H3/t17-,18+,23-/m0/s1" ; chebi:inchikey "ADONDIFMYIEKMI-IXFSTUDKSA-N" ; chebi:mass "492.587" ; chebi:monoisotopicmass "492.19302" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101807" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101808 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C27H29N3O4" ; chebi:inchi "InChI=1S/C27H29N3O4/c31-18-25-24(30-26(32)15-19-5-4-14-28-17-19)13-12-23(34-25)16-27(33)29-22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-11,14,17,23-25,31H,12-13,15-16,18H2,(H,29,33)(H,30,32)/t23-,24+,25+/m1/s1" ; chebi:inchikey "JZSLTRUJUOZFGD-DSITVLBTSA-N" ; chebi:mass "459.538" ; chebi:monoisotopicmass "459.21581" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)CO)NC(=O)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101808" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101809 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H34F3N3O4" ; chebi:inchi "InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-41-28(20)17-36(3)30(40)35-27-15-9-8-14-26(27)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21+,28-/m0/s1" ; chebi:inchikey "AAENOGRDWGDRJO-GTNJKRJXSA-N" ; chebi:mass "569.616" ; chebi:monoisotopicmass "569.25014" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC=C4C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101809" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13171" . obo:CHEBI_101810 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C16H21NO7S" ; chebi:inchi "InChI=1S/C16H21NO7S/c1-22-15(19)7-10-6-12-11-5-9(17-25(2,20)21)3-4-13(11)24-16(12)14(8-18)23-10/h3-5,10,12,14,16-18H,6-8H2,1-2H3/t10-,12+,14+,16-/m0/s1" ; chebi:inchikey "STSQWNRYWIJNCW-SFXCNKRSSA-N" ; chebi:mass "371.407" ; chebi:monoisotopicmass "371.10387" ; chebi:smiles "COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101810" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101811 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37FN6O6" ; chebi:inchi "InChI=1S/C30H37FN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-11-10-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-8-21(31)12-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18+,26-/m1/s1" ; chebi:inchikey "DJGRJRLVSKCCNZ-FIAZIHOUSA-N" ; chebi:mass "596.651" ; chebi:monoisotopicmass "596.27586" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101811" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7R,8S)-N-(3,5-dimethyl-4-isoxazolyl)-14-[[(3-fluoroanilino)-oxomethyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_101812 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H20FNO7S" ; chebi:inchi "InChI=1S/C20H20FNO7S/c21-11-1-4-14(5-2-11)30(26,27)22-12-3-6-17-15(7-12)16-8-13(9-19(24)25)28-18(10-23)20(16)29-17/h1-7,13,16,18,20,22-23H,8-10H2,(H,24,25)/t13-,16-,18+,20+/m0/s1" ; chebi:inchikey "BOKKRFULVUTARF-XGJBHWFVSA-N" ; chebi:mass "437.441" ; chebi:monoisotopicmass "437.09445" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101812" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_101813 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H25N3O6" ; chebi:inchi "InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18-,20-/m1/s1" ; chebi:inchikey "HJRBVKTVNLVVPO-YVWKXTFCSA-N" ; chebi:mass "439.462" ; chebi:monoisotopicmass "439.17434" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101813" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_101814 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18+,19-,20-/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-XWPNQZOQSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101814" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_101815 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O5" ; chebi:inchi "InChI=1S/C25H33N3O5/c1-16-13-26-17(2)15-33-22-10-9-19(12-21(22)25(30)28(3)14-23(16)32-5)27-24(29)18-7-6-8-20(11-18)31-4/h6-12,16-17,23,26H,13-15H2,1-5H3,(H,27,29)/t16-,17-,23+/m0/s1" ; chebi:inchikey "OOHQDHOXZWVAAU-HKARXFIJSA-N" ; chebi:mass "455.548" ; chebi:monoisotopicmass "455.24202" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101815" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101816 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H29N3O6" ; chebi:inchi "InChI=1S/C21H29N3O6/c1-23-6-8-24(9-7-23)20(26)11-15-3-4-16(19(12-25)30-15)22-21(27)14-2-5-17-18(10-14)29-13-28-17/h2,5,10,15-16,19,25H,3-4,6-9,11-13H2,1H3,(H,22,27)/t15-,16-,19+/m1/s1" ; chebi:inchikey "OCHDOPTVTSINTO-MDZRGWNJSA-N" ; chebi:mass "419.472" ; chebi:monoisotopicmass "419.20564" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101816" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101817 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30ClN3O5S" ; chebi:inchi "InChI=1S/C23H30ClN3O5S/c1-15-12-25-16(2)14-32-21-11-18(26-33(29,30)19-7-5-6-17(24)10-19)8-9-20(21)23(28)27(3)13-22(15)31-4/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16-,22+/m1/s1" ; chebi:inchikey "PSXVKIUCJIMJLV-MCFFVMPBSA-N" ; chebi:mass "496.021" ; chebi:monoisotopicmass "495.15947" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101817" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101818 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O5S" ; chebi:inchi "InChI=1S/C25H36N4O5S/c1-6-35(31,32)27-20-10-11-23-22(13-20)25(30)28(4)16-24(33-5)18(2)14-29(19(3)17-34-23)15-21-9-7-8-12-26-21/h7-13,18-19,24,27H,6,14-17H2,1-5H3/t18-,19-,24-/m0/s1" ; chebi:inchikey "NFKQXDUJHPCZLU-JXQFQVJHSA-N" ; chebi:mass "504.644" ; chebi:monoisotopicmass "504.24064" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101818" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_101819 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H34N4O6S" ; chebi:inchi "InChI=1S/C23H34N4O6S/c1-4-34(30,31)24-16-5-8-20-18(13-16)23(29)26(3)19-7-6-17(33-21(19)15-32-20)14-22(28)27-11-9-25(2)10-12-27/h5,8,13,17,19,21,24H,4,6-7,9-12,14-15H2,1-3H3/t17-,19+,21-/m1/s1" ; chebi:inchikey "RRCKKFPVDDPSKT-SLYNCCJLSA-N" ; chebi:mass "494.606" ; chebi:monoisotopicmass "494.21991" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)N4CCN(CC4)C)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101819" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]ethanesulfonamide" . obo:CHEBI_101820 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H35F3N2O4" ; chebi:inchi "InChI=1S/C21H35F3N2O4/c22-21(23,24)8-9-26-12-16(27)13-29-14-19-18(26)7-6-17(30-19)10-20(28)25-11-15-4-2-1-3-5-15/h15-19,27H,1-14H2,(H,25,28)/t16-,17-,18+,19-/m0/s1" ; chebi:inchikey "LOZCXWBJFMLABO-OKYOBFRVSA-N" ; chebi:mass "436.510" ; chebi:monoisotopicmass "436.25489" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CCC(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101820" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_101821 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46920 ; chebi:charge "0" ; chebi:formula "C22H39N3O5" ; chebi:inchi "InChI=1S/C22H39N3O5/c1-23-6-8-24(9-7-23)22(27)12-19-2-3-20-21(30-19)16-29-15-18(26)14-25(20)13-17-4-10-28-11-5-17/h17-21,26H,2-16H2,1H3/t18-,19-,20+,21-/m1/s1" ; chebi:inchikey "MTMISLSQWFYTRE-MXEMCNAFSA-N" ; chebi:mass "425.563" ; chebi:monoisotopicmass "425.28897" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4CCOCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101821" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_101822 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22723 ; chebi:charge "0" ; chebi:formula "C31H36N2O5" ; chebi:inchi "InChI=1S/C31H36N2O5/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-25(26)20-38-29(21)18-32(3)17-23-9-8-11-24(15-23)31(36)37/h4-15,21-22,29,34H,16-20H2,1-3H3,(H,36,37)/t21-,22-,29-/m1/s1" ; chebi:inchikey "QELHGDMSGADVOM-IEOSBIPESA-N" ; chebi:mass "516.629" ; chebi:monoisotopicmass "516.26242" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101822" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13184" . obo:CHEBI_101823 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O5" ; chebi:inchi "InChI=1S/C28H40N4O5/c1-7-13-32-16-19(2)26(36-6)17-31(4)27(33)24-12-11-22(15-25(24)37-18-20(32)3)30-28(34)29-21-9-8-10-23(14-21)35-5/h8-12,14-15,19-20,26H,7,13,16-18H2,1-6H3,(H2,29,30,34)/t19-,20+,26+/m1/s1" ; chebi:inchikey "NWXQZACELVQCTR-GOHWNWGWSA-N" ; chebi:mass "512.642" ; chebi:monoisotopicmass "512.29987" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101823" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-methoxyphenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101824 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C20H27N3O5" ; chebi:inchi "InChI=1S/C20H27N3O5/c1-4-21-19(25)10-14-6-7-16-18(28-14)11-27-17-8-5-13(22-12(2)24)9-15(17)20(26)23(16)3/h5,8-9,14,16,18H,4,6-7,10-11H2,1-3H3,(H,21,25)(H,22,24)/t14-,16-,18-/m0/s1" ; chebi:inchikey "WVVDCAKHEAPTNY-ZVZYQTTQSA-N" ; chebi:mass "389.446" ; chebi:monoisotopicmass "389.19507" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C)C(=O)N2C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101824" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide" . obo:CHEBI_101825 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H32FN3O3S" ; chebi:inchi "InChI=1S/C28H32FN3O3S/c1-28(2,3)36(35)32-17-21-16-23(27(34)31(4)5)30-26(25(21)24(32)13-14-33)20-8-6-7-19(15-20)18-9-11-22(29)12-10-18/h6-12,15-16,24,33H,13-14,17H2,1-5H3/t24-,36-/m1/s1" ; chebi:inchikey "AGIZNZOEGDEWTD-GPJMPKJXSA-N" ; chebi:mass "509.638" ; chebi:monoisotopicmass "509.21484" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)F)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101825" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101826 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-30-10-9-24-22(27)13-16-12-19-18-11-15(25-33(28,29)17-5-3-2-4-6-17)7-8-20(18)32-23(19)21(14-26)31-16/h2-8,11,16,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t16-,19+,21-,23-/m1/s1" ; chebi:inchikey "GQLDDSCVBIFPRR-LQOJQYNMSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "COCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101826" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101827 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN2O6S2" ; chebi:inchi "InChI=1S/C21H27FN2O6S2/c22-17-6-9-19(10-7-17)32(28,29)24-20-11-8-18(30-21(20)14-25)12-13-23-31(26,27)15-16-4-2-1-3-5-16/h1-7,9-10,18,20-21,23-25H,8,11-15H2/t18-,20+,21-/m1/s1" ; chebi:inchikey "ZTKNNPSVJPUDLJ-HLAWJBBLSA-N" ; chebi:mass "486.580" ; chebi:monoisotopicmass "486.12946" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101827" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_101828 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-27-16-7-2-4-14(10-16)12-22-20(25)11-17-8-9-18(19(13-24)28-17)23-21(26)15-5-3-6-15/h2,4,7-10,15,17-19,24H,3,5-6,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18+,19-/m0/s1" ; chebi:inchikey "QDYPPDFKKOAHDR-OTWHNJEPSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3CCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101828" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide" . obo:CHEBI_101829 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-19-15-33(16-21-9-10-21)20(2)18-38-26-12-11-23(14-25(26)28(34)32(3)17-27(19)37-5)31-29(35)30-22-7-6-8-24(13-22)36-4/h6-8,11-14,19-21,27H,9-10,15-18H2,1-5H3,(H2,30,31,35)/t19-,20+,27-/m0/s1" ; chebi:inchikey "NFEVTECKVPPYCJ-VKIDHGPPSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101829" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-methoxyphenyl)urea" . obo:CHEBI_101830 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C20H27N3O5" ; chebi:inchi "InChI=1S/C20H27N3O5/c1-4-21-19(25)10-14-6-7-16-18(28-14)11-27-17-8-5-13(22-12(2)24)9-15(17)20(26)23(16)3/h5,8-9,14,16,18H,4,6-7,10-11H2,1-3H3,(H,21,25)(H,22,24)/t14-,16-,18+/m1/s1" ; chebi:inchikey "WVVDCAKHEAPTNY-KYJSFNMBSA-N" ; chebi:mass "389.446" ; chebi:monoisotopicmass "389.19507" ; chebi:smiles "CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C)C(=O)N2C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101830" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide" . obo:CHEBI_101831 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C19H19FN2O6S" ; chebi:inchi "InChI=1S/C19H19FN2O6S/c1-29(27,28)22-16-13(14(9-23)17(22)19(25)26)8-21-15(16)7-6-12(18(21)24)10-2-4-11(20)5-3-10/h2-7,13-14,16-17,23H,8-9H2,1H3,(H,25,26)/t13-,14-,16+,17-/m1/s1" ; chebi:inchikey "PCISDUIZPJCQMU-TXCZRRACSA-N" ; chebi:mass "422.429" ; chebi:monoisotopicmass "422.09479" ; chebi:smiles "CS(=O)(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]([C@@H]1C(=O)O)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101831" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid" . obo:CHEBI_101832 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H34ClN3O6S" ; chebi:inchi "InChI=1S/C22H34ClN3O6S/c1-25(2)11-3-10-24-22(28)12-18-6-9-20-21(32-18)15-31-14-17(27)13-26(20)33(29,30)19-7-4-16(23)5-8-19/h4-5,7-8,17-18,20-21,27H,3,6,9-15H2,1-2H3,(H,24,28)/t17-,18+,20-,21+/m1/s1" ; chebi:inchikey "NJKGITFUOGWCFU-JYRKZWEQSA-N" ; chebi:mass "504.042" ; chebi:monoisotopicmass "503.18568" ; chebi:smiles "CN(C)CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2S(=O)(=O)C3=CC=C(C=C3)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101832" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-(4-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide" . obo:CHEBI_101833 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H27N3O6" ; chebi:inchi "InChI=1S/C24H27N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-11,15,18-19,22,28H,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18+,19+,22+/m1/s1" ; chebi:inchikey "UDMIDSQAUXVXMN-KRDZULTMSA-N" ; chebi:mass "453.489" ; chebi:monoisotopicmass "453.18999" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101833" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101834 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H24N2O5S" ; chebi:inchi "InChI=1S/C15H24N2O5S/c1-21-12-3-2-4-13(9-12)23(19,20)17-14-6-5-11(7-8-16)22-15(14)10-18/h2-4,9,11,14-15,17-18H,5-8,10,16H2,1H3/t11-,14-,15-/m1/s1" ; chebi:inchikey "FUQFZQORNFVFMN-KCPJHIHWSA-N" ; chebi:mass "344.428" ; chebi:monoisotopicmass "344.14059" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCN" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101834" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide" . obo:CHEBI_101835 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H35N3O5" ; chebi:inchi "InChI=1S/C24H35N3O5/c1-27(2)13-23(30)26-16-8-9-20-18(10-16)19-11-17(31-21(14-28)24(19)32-20)12-22(29)25-15-6-4-3-5-7-15/h8-10,15,17,19,21,24,28H,3-7,11-14H2,1-2H3,(H,25,29)(H,26,30)/t17-,19+,21+,24-/m0/s1" ; chebi:inchikey "KRQAAGOFZVBHDO-FCMRVMJTSA-N" ; chebi:mass "445.553" ; chebi:monoisotopicmass "445.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101835" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_101836 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O7S" ; chebi:inchi "InChI=1S/C31H47N3O7S/c1-22-19-34(23(2)21-35)31(36)28-18-25(32(4)5)11-16-29(28)41-24(3)10-8-9-17-40-30(22)20-33(6)42(37,38)27-14-12-26(39-7)13-15-27/h11-16,18,22-24,30,35H,8-10,17,19-21H2,1-7H3/t22-,23+,24-,30+/m0/s1" ; chebi:inchikey "OKIGVZMNGZVCJM-WUBQMYJQSA-N" ; chebi:mass "605.788" ; chebi:monoisotopicmass "605.31347" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101836" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide" . obo:CHEBI_101837 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H29N3O6S" ; chebi:inchi "InChI=1S/C20H29N3O6S/c1-22-5-7-23(8-6-22)19(25)11-14-10-16-15-9-13(21-30(2,26)27)3-4-17(15)29-20(16)18(12-24)28-14/h3-4,9,14,16,18,20-21,24H,5-8,10-12H2,1-2H3/t14-,16+,18+,20-/m1/s1" ; chebi:inchikey "LHGLZDQGJZRLBC-VKSDOSABSA-N" ; chebi:mass "439.528" ; chebi:monoisotopicmass "439.17771" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101837" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide" . obo:CHEBI_101838 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-20-16-33(17-22-6-5-11-30-15-22)21(2)19-38-26-8-7-24(31-28(34)23-9-12-37-13-10-23)14-25(26)29(35)32(3)18-27(20)36-4/h5-8,11,14-15,20-21,23,27H,9-10,12-13,16-19H2,1-4H3,(H,31,34)/t20-,21-,27-/m1/s1" ; chebi:inchikey "WKDBULKSLWTRKP-LGVUCKNBSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101838" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_101839 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H26ClN3O5S" ; chebi:inchi "InChI=1S/C21H26ClN3O5S/c22-17-5-1-2-6-20(17)31(28,29)24-11-9-16-7-8-18(19(14-26)30-16)25-21(27)12-15-4-3-10-23-13-15/h1-6,10,13,16,18-19,24,26H,7-9,11-12,14H2,(H,25,27)/t16-,18+,19-/m0/s1" ; chebi:inchikey "WMHOVAQHNBVIPJ-UHOSZYNNSA-N" ; chebi:mass "467.968" ; chebi:monoisotopicmass "467.12817" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CCNS(=O)(=O)C2=CC=CC=C2Cl)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101839" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_101840 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29ClN4O5S" ; chebi:inchi "InChI=1S/C21H29ClN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16+,20-/m1/s1" ; chebi:inchikey "FDINZZIDFRBVPX-GQIGUUNPSA-N" ; chebi:mass "484.999" ; chebi:monoisotopicmass "484.15472" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101840" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_101841 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H29N5O5" ; chebi:inchi "InChI=1S/C23H29N5O5/c29-18-12-28(23(31)27-16-4-2-1-3-5-16)20-7-6-19(33-21(20)14-32-13-18)10-22(30)25-11-17-8-9-24-15-26-17/h1-5,8-9,15,18-21,29H,6-7,10-14H2,(H,25,30)(H,27,31)/t18-,19+,20-,21+/m1/s1" ; chebi:inchikey "DCLGJFWUMIZFMI-MHTWAQMVSA-N" ; chebi:mass "455.508" ; chebi:monoisotopicmass "455.21687" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)NC3=CC=CC=C3)O)O[C@@H]1CC(=O)NCC4=NC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101841" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-3-hydroxy-8-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-N-phenyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101842 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O5S" ; chebi:inchi "InChI=1S/C24H33N3O5S/c1-17-13-25-18(2)15-32-22-11-10-20(12-21(22)24(28)27(3)14-23(17)31-4)26-33(29,30)16-19-8-6-5-7-9-19/h5-12,17-18,23,25-26H,13-16H2,1-4H3/t17-,18+,23-/m1/s1" ; chebi:inchikey "ITUDOLAPOXZKHG-IEGUWTFLSA-N" ; chebi:mass "475.603" ; chebi:monoisotopicmass "475.21409" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101842" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide" . obo:CHEBI_101843 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-2-11-24-21(27)25-18(12-23)20(19(25)13-26)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-20,26H,2,11,13H2,1H3,(H,24,27)/t18-,19+,20-/m1/s1" ; chebi:inchikey "NYKFFZXKZNVNOG-HSALFYBXSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CCCNC(=O)N1[C@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101843" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide" . obo:CHEBI_101844 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C32H35N5O3S" ; chebi:inchi "InChI=1S/C32H35N5O3S/c1-32(2,3)41(40)37-21-26-19-27(31(39)35-16-11-22-9-14-33-15-10-22)36-30(29(26)28(37)12-17-38)24-7-4-6-23(18-24)25-8-5-13-34-20-25/h4-10,13-15,18-20,28,38H,11-12,16-17,21H2,1-3H3,(H,35,39)/t28-,41-/m1/s1" ; chebi:inchikey "YESIXAXFOCXQOM-GIEABIOQSA-N" ; chebi:mass "569.719" ; chebi:monoisotopicmass "569.24606" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101844" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101845 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_21644 ; chebi:charge "0" ; chebi:formula "C23H26N4O5" ; chebi:inchi "InChI=1S/C23H26N4O5/c28-11-17-16-10-26-18(7-6-15(22(26)30)14-8-24-12-25-9-14)19(16)27(20(17)23(31)32)21(29)13-4-2-1-3-5-13/h6-9,12-13,16-17,19-20,28H,1-5,10-11H2,(H,31,32)/t16-,17-,19+,20-/m0/s1" ; chebi:inchikey "QRMANUUKSUBTTM-XEYPJELSSA-N" ; chebi:mass "438.477" ; chebi:monoisotopicmass "438.19032" ; chebi:smiles "C1CCC(CC1)C(=O)N2[C@@H]3[C@@H](CN4C3=CC=C(C4=O)C5=CN=CN=C5)[C@@H]([C@H]2C(=O)O)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101845" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-[cyclohexyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid" . obo:CHEBI_101846 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22-,29+/m0/s1" ; chebi:inchikey "GTRXSASKUSVSHJ-IHMCZWCLSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101846" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13208" . obo:CHEBI_101847 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29(2)24(31)14-19-10-11-21-23(35-19)16-34-22-12-9-18(13-20(22)25(32)30(21)3)28-26(33)27-15-17-7-5-4-6-8-17/h4-9,12-13,19,21,23H,10-11,14-16H2,1-3H3,(H2,27,28,33)/t19-,21-,23+/m1/s1" ; chebi:inchikey "IOGMTQBPALZMTJ-LSWJPFSZSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NCC4=CC=CC=C4)CC(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101847" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide" . obo:CHEBI_101848 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H32F3N3O4S" ; chebi:inchi "InChI=1S/C29H32F3N3O4S/c1-28(2,3)40(38)35-16-21-15-23(27(37)33-17-29(30,31)32)34-26(25(21)24(35)11-12-36)20-9-5-7-18(13-20)19-8-6-10-22(14-19)39-4/h5-10,13-15,24,36H,11-12,16-17H2,1-4H3,(H,33,37)/t24-,40-/m0/s1" ; chebi:inchikey "ZACPEVQRHPQJRQ-KHMLVVKISA-N" ; chebi:mass "575.644" ; chebi:monoisotopicmass "575.20656" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101848" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101849 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30FN3O5S" ; chebi:inchi "InChI=1S/C23H30FN3O5S/c1-15-12-25-16(2)14-32-21-9-8-18(11-20(21)23(28)27(3)13-22(15)31-4)26-33(29,30)19-7-5-6-17(24)10-19/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16-,22-/m0/s1" ; chebi:inchikey "FAXXRWNSKSYYIM-WCJKSRRJSA-N" ; chebi:mass "479.567" ; chebi:monoisotopicmass "479.18902" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101849" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101850 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H24F5N3O4" ; chebi:inchi "InChI=1S/C23H24F5N3O4/c24-15-7-13(8-16(25)9-15)11-29-21(33)10-18-5-6-19(20(12-32)35-18)31-22(34)30-17-3-1-14(2-4-17)23(26,27)28/h1-4,7-9,18-20,32H,5-6,10-12H2,(H,29,33)(H2,30,31,34)/t18-,19+,20-/m1/s1" ; chebi:inchikey "CXBDXCVDLXJCMX-HSALFYBXSA-N" ; chebi:mass "501.447" ; chebi:monoisotopicmass "501.16870" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)NCC2=CC(=CC(=C2)F)F)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101850" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,5-difluorophenyl)methyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_101851 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23+,24-,30+/m1/s1" ; chebi:inchikey "VTQGPDBOURHJNB-IFVFNEAISA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](C)C4=CC=CC=C4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101851" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13213" . obo:CHEBI_101852 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H31N5O5" ; chebi:inchi "InChI=1S/C19H31N5O5/c1-12-18(13(2)29-22-12)21-19(27)20-15-5-4-14(28-16(15)11-25)10-17(26)24-8-6-23(3)7-9-24/h14-16,25H,4-11H2,1-3H3,(H2,20,21,27)/t14-,15-,16-/m0/s1" ; chebi:inchikey "ZKSUBHWMVQQNNI-JYJNAYRXSA-N" ; chebi:mass "409.481" ; chebi:monoisotopicmass "409.23252" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCN(CC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101852" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea" . obo:CHEBI_101853 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25384 ; rdfs:subClassOf obo:CHEBI_73537 ; rdfs:subClassOf obo:CHEBI_86324 ; rdfs:subClassOf obo:CHEBI_87211 . _:b175 rdf:type owl:Restriction . obo:CHEBI_101853 rdfs:subClassOf _:b175 . _:b175 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33281 . _:b176 rdf:type owl:Restriction . obo:CHEBI_101853 rdfs:subClassOf _:b176 . _:b176 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36047 . _:b177 rdf:type owl:Restriction . obo:CHEBI_101853 rdfs:subClassOf _:b177 . _:b177 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_53559 . obo:CHEBI_101853 obo:IAO_0000115 "A 1,4-dihydro-1,8-naphthyridine with a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a substituted pyrrolin-1-yl group at the 7-position." ; chebi:charge "0" ; chebi:formula "C18H20FN5O4" ; chebi:inchi "InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+" ; chebi:inchikey "ZRCVYEYHRGVLOC-HYARGMPZSA-N" ; chebi:mass "389.38090" ; chebi:monoisotopicmass "389.14993" ; chebi:smiles "CO\\N=C1/CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101853" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "gemifloxacin" . obo:CHEBI_101854 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_60911 . _:b178 rdf:type owl:Restriction . obo:CHEBI_101854 rdfs:subClassOf _:b178 . _:b178 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_102030 . _:b179 rdf:type owl:Restriction . obo:CHEBI_101854 rdfs:subClassOf _:b179 . _:b179 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_102131 . _:b180 rdf:type owl:Restriction . obo:CHEBI_101854 rdfs:subClassOf _:b180 . _:b180 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50176 . _:b181 rdf:type owl:Restriction . obo:CHEBI_101854 rdfs:subClassOf _:b181 . _:b181 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50183 . obo:CHEBI_101854 obo:IAO_0000115 "A racemate comprising equimolar amounts of (R)- and (S)-talarozole. It is used for the treatment of keratinization disorders, psoriasis and acne." ; chebi:charge "0" ; chebi:formula "C21H23N5S" ; chebi:mass "377.508" ; chebi:monoisotopicmass "377.16742" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101854" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "talarozole" . obo:CHEBI_101855 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C27H34N4O5S" ; chebi:inchi "InChI=1S/C27H34N4O5S/c1-19-13-31(20(2)16-32)27(33)24-12-8-7-11-23(24)22-10-6-5-9-21(22)17-36-25(19)14-30(4)37(34,35)26-15-29(3)18-28-26/h5-12,15,18-20,25,32H,13-14,16-17H2,1-4H3/t19-,20+,25-/m0/s1" ; chebi:inchikey "JSYMGQYFJZOBEJ-DFIYOIEZSA-N" ; chebi:mass "526.650" ; chebi:monoisotopicmass "526.22499" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101855" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13216" . obo:CHEBI_101856 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H29F2N3O5" ; chebi:inchi "InChI=1S/C25H29F2N3O5/c1-30(2)12-24(33)29-16-4-6-21-18(8-16)19-9-17(34-22(13-31)25(19)35-21)10-23(32)28-11-14-7-15(26)3-5-20(14)27/h3-8,17,19,22,25,31H,9-13H2,1-2H3,(H,28,32)(H,29,33)/t17-,19+,22+,25-/m1/s1" ; chebi:inchikey "PTZKUMYBXIPSAJ-ZAZKGPHZSA-N" ; chebi:mass "489.513" ; chebi:monoisotopicmass "489.20753" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101856" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101857 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c31-23-17-30(16-20-2-1-3-22(14-20)21-6-8-28-9-7-21)25-5-4-24(35-26(25)19-34-18-23)15-27(32)29-10-12-33-13-11-29/h1-3,6-9,14,23-26,31H,4-5,10-13,15-19H2/t23-,24-,25+,26-/m1/s1" ; chebi:inchikey "VMOCTUISBGPURH-FXSWLTOZSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC=CC(=C3)C4=CC=NC=C4)O)O[C@H]1CC(=O)N5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101857" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone" . obo:CHEBI_101858 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-16(17-7-3-2-4-8-17)25-23(29)14-19-10-11-20(21(15-27)30-19)26-22(28)13-18-9-5-6-12-24-18/h2-12,16,19-21,27H,13-15H2,1H3,(H,25,29)(H,26,28)/t16-,19+,20-,21+/m0/s1" ; chebi:inchikey "GWEQQAXOIQTOQH-NASSWSRMSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101858" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101859 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C25H34N2O5" ; chebi:inchi "InChI=1S/C25H34N2O5/c1-18(13-27(19(2)16-28)25(29)21-8-6-5-7-9-21)24(30-4)15-26(3)14-20-10-11-22-23(12-20)32-17-31-22/h5-12,18-19,24,28H,13-17H2,1-4H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "RDQYWFNTQPCNSM-YDIMBITNSA-N" ; chebi:mass "442.549" ; chebi:monoisotopicmass "442.24677" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)C1=CC=CC=C1)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101859" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide" . obo:CHEBI_101860 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20-,21+,22+/m0/s1" ; chebi:inchikey "XYLRKRISJMFHFX-WROXGLCASA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101860" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13221" . obo:CHEBI_101861 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19-,20-/m0/s1" ; chebi:inchikey "YSDDRAAKFDNITG-KNTRFNDTSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101861" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_101862 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16+,18+,19+/m0/s1" ; chebi:inchikey "LYYREMJMDQKNES-RGIVZKHGSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@H]1C(=O)N(C[C@@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101862" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13223" . obo:CHEBI_101863 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H33N3O6S" ; chebi:inchi "InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26+,28+/m1/s1" ; chebi:inchikey "IPBHQWGLWRAHKP-XDIPAPSNSA-N" ; chebi:mass "563.667" ; chebi:monoisotopicmass "563.20901" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101863" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_101864 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O6" ; chebi:inchi "InChI=1S/C30H38ClN5O6/c1-35-25-9-8-21(18-28(37)32-11-4-12-36-13-15-40-16-14-36)42-27(25)19-41-26-10-7-20(17-22(26)29(35)38)33-30(39)34-24-6-3-2-5-23(24)31/h2-3,5-7,10,17,21,25,27H,4,8-9,11-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t21-,25-,27+/m1/s1" ; chebi:inchikey "MRBZRZGKCPBOJB-RMXYQJDTSA-N" ; chebi:mass "600.107" ; chebi:monoisotopicmass "599.25106" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101864" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101865 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C21H26N2O6" ; chebi:inchi "InChI=1S/C21H26N2O6/c24-12-19-16(22-21(26)14-4-7-17-18(10-14)28-13-27-17)6-5-15(29-19)11-20(25)23-8-2-1-3-9-23/h4-7,10,15-16,19,24H,1-3,8-9,11-13H2,(H,22,26)/t15-,16+,19-/m0/s1" ; chebi:inchikey "ZKMZGYJTUFHVCC-FCEWJHQRSA-N" ; chebi:mass "402.442" ; chebi:monoisotopicmass "402.17909" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101865" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101866 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C18H33N3O4" ; chebi:inchi "InChI=1S/C18H33N3O4/c22-14-11-20-16-5-4-15(25-17(16)13-24-12-14)10-18(23)19-6-9-21-7-2-1-3-8-21/h14-17,20,22H,1-13H2,(H,19,23)/t14-,15+,16+,17-/m0/s1" ; chebi:inchikey "WSFSIZCPNKDEIH-HZMVEIRTSA-N" ; chebi:mass "355.473" ; chebi:monoisotopicmass "355.24711" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101866" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101867 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H36ClN3O5" ; chebi:inchi "InChI=1S/C25H36ClN3O5/c26-18-6-8-19(9-7-18)28-25(32)29-14-20(30)15-33-16-23-22(29)11-10-21(34-23)12-24(31)27-13-17-4-2-1-3-5-17/h6-9,17,20-23,30H,1-5,10-16H2,(H,27,31)(H,28,32)/t20-,21+,22-,23+/m0/s1" ; chebi:inchikey "SYCYKHHPUCXRJT-GSPCLOLRSA-N" ; chebi:mass "494.024" ; chebi:monoisotopicmass "493.23435" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)NC4=CC=C(C=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101867" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8R,10aS)-N-(4-chlorophenyl)-8-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101868 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18+,20+,21+/m0/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-FCXXMXSZSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101868" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101869 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33F3N2O5S" ; chebi:inchi "InChI=1S/C30H33F3N2O5S/c1-20-16-35(21(2)18-36)29(37)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-40-28(20)17-34(3)41(38,39)24-14-12-23(13-15-24)30(31,32)33/h4-15,20-21,28,36H,16-19H2,1-3H3/t20-,21+,28-/m0/s1" ; chebi:inchikey "VUGFGKFGZUURHO-GTNJKRJXSA-N" ; chebi:mass "590.656" ; chebi:monoisotopicmass "590.20623" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101869" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13230" . obo:CHEBI_101870 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H29N3O4" ; chebi:inchi "InChI=1S/C20H29N3O4/c24-13-18-17(23-20(26)15-2-1-3-15)5-4-16(27-18)8-11-22-19(25)12-14-6-9-21-10-7-14/h6-7,9-10,15-18,24H,1-5,8,11-13H2,(H,22,25)(H,23,26)/t16-,17+,18+/m0/s1" ; chebi:inchikey "CZXCLXHYAUMTPI-RCCFBDPRSA-N" ; chebi:mass "375.463" ; chebi:monoisotopicmass "375.21581" ; chebi:smiles "C1CC(C1)C(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101870" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(1-oxo-2-pyridin-4-ylethyl)amino]ethyl]-3-oxanyl]cyclobutanecarboxamide" . obo:CHEBI_101871 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C19H25N3O4" ; chebi:inchi "InChI=1S/C19H25N3O4/c1-20(2)19(26)17-13(10-23)12-9-21-14(7-4-8-15(21)24)16(12)22(17)18(25)11-5-3-6-11/h4,7-8,11-13,16-17,23H,3,5-6,9-10H2,1-2H3/t12-,13-,16+,17-/m1/s1" ; chebi:inchikey "BHHDRXNUGFHOLE-UTJXIGIESA-N" ; chebi:mass "359.420" ; chebi:monoisotopicmass "359.18451" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@H]2N1C(=O)C4CCC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101871" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[cyclobutyl(oxo)methyl]-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101872 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H20N2O3S" ; chebi:inchi "InChI=1S/C17H20N2O3S/c1-3-4-5-6-13-7-9-14(10-8-13)17-15(11-18)19(16(17)12-20)23(2,21)22/h7-10,15-17,20H,3-4,12H2,1-2H3/t15-,16+,17-/m0/s1" ; chebi:inchikey "COUPNDMEVDHIHS-BBWFWOEESA-N" ; chebi:mass "332.419" ; chebi:monoisotopicmass "332.11946" ; chebi:smiles "CCCC#CC1=CC=C(C=C1)[C@@H]2[C@H](N([C@H]2C#N)S(=O)(=O)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101872" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile" . obo:CHEBI_101873 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O5" ; chebi:inchi "InChI=1S/C23H35N3O5/c1-7-21(27)24-17-9-10-19-18(11-17)23(29)25(5)13-20(30-6)15(3)12-26(22(28)8-2)16(4)14-31-19/h9-11,15-16,20H,7-8,12-14H2,1-6H3,(H,24,27)/t15-,16-,20+/m0/s1" ; chebi:inchikey "ILJGMXMVVDGLNM-TWOQFEAHSA-N" ; chebi:mass "433.542" ; chebi:monoisotopicmass "433.25767" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101873" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_101874 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C23H20FN3O6S" ; chebi:inchi "InChI=1S/C23H20FN3O6S/c24-16-3-1-2-4-19(16)34(32,33)27-18-11-26-17(21(27)20(23(30)31)15(18)12-28)6-5-14(22(26)29)13-7-9-25-10-8-13/h1-10,15,18,20-21,28H,11-12H2,(H,30,31)/t15-,18-,20+,21+/m0/s1" ; chebi:inchikey "OZRBNBICDFVIFO-GDVKCFTOSA-N" ; chebi:mass "485.487" ; chebi:monoisotopicmass "485.10568" ; chebi:smiles "C1[C@H]2[C@@H]([C@H]([C@H](N2S(=O)(=O)C3=CC=CC=C3F)C4=CC=C(C(=O)N41)C5=CC=NC=C5)C(=O)O)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101874" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13235" . obo:CHEBI_101875 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26961 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H31N3O6S" ; chebi:inchi "InChI=1S/C29H31N3O6S/c1-32-23-10-9-21(15-27(33)30-16-18-5-3-6-20(13-18)36-2)38-25(23)17-37-24-11-8-19(14-22(24)29(32)35)31-28(34)26-7-4-12-39-26/h3-8,11-14,21,23,25H,9-10,15-17H2,1-2H3,(H,30,33)(H,31,34)/t21-,23-,25-/m1/s1" ; chebi:inchikey "DZYZVJKKUJSUJU-GZGNHOFSSA-N" ; chebi:mass "549.640" ; chebi:monoisotopicmass "549.19336" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101875" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide" . obo:CHEBI_101876 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30N2O7" ; chebi:inchi "InChI=1S/C31H30N2O7/c34-16-28-30-24(13-22(39-28)14-29(35)33-10-9-18-3-1-2-4-20(18)15-33)23-12-21(6-8-25(23)40-30)32-31(36)19-5-7-26-27(11-19)38-17-37-26/h1-8,11-12,22,24,28,30,34H,9-10,13-17H2,(H,32,36)/t22-,24-,28-,30+/m1/s1" ; chebi:inchikey "DMKXNQOLMYQXCN-YEHIPITKSA-N" ; chebi:mass "542.580" ; chebi:monoisotopicmass "542.20530" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CC7=C(C=C6)OCO7" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101876" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101877 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H32N2O5S2" ; chebi:inchi "InChI=1S/C27H32N2O5S2/c1-19-15-29(20(2)17-30)27(31)24-12-7-6-11-23(24)22-10-5-4-9-21(22)18-34-25(19)16-28(3)36(32,33)26-13-8-14-35-26/h4-14,19-20,25,30H,15-18H2,1-3H3/t19-,20-,25+/m1/s1" ; chebi:inchikey "YEGLVGBFCXLPBD-FHAGJXEFSA-N" ; chebi:mass "528.687" ; chebi:monoisotopicmass "528.17526" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CS4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101877" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13238" . obo:CHEBI_101878 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-15(16-7-5-4-6-8-16)25-23(28)13-18-12-20-19-11-17(26(2)3)9-10-21(19)30-24(20)22(14-27)29-18/h4-11,15,18,20,22,24,27H,12-14H2,1-3H3,(H,25,28)/t15-,18-,20-,22+,24+/m1/s1" ; chebi:inchikey "LSNSUZUVRXFZLV-RZLXXJEVSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101878" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101879 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C37H46N4O4" ; chebi:inchi "InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26-,32+,33+/m1/s1" ; chebi:inchikey "UJZHWGMAKJZUOC-CJTKCQPWSA-N" ; chebi:mass "610.787" ; chebi:monoisotopicmass "610.35191" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101879" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13240" . obo:CHEBI_101880 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H27ClN2O4" ; chebi:inchi "InChI=1S/C20H27ClN2O4/c21-15-5-3-14(4-6-15)11-22-19(25)10-16-7-8-17(18(12-24)27-16)23-20(26)9-13-1-2-13/h3-6,13,16-18,24H,1-2,7-12H2,(H,22,25)(H,23,26)/t16-,17+,18+/m0/s1" ; chebi:inchikey "QFAVGRCFIOJHOR-RCCFBDPRSA-N" ; chebi:mass "394.893" ; chebi:monoisotopicmass "394.16594" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CC(=O)NCC2=CC=C(C=C2)Cl)CO)NC(=O)CC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101880" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-cyclopropylacetamide" . obo:CHEBI_101881 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H27N3O4" ; chebi:inchi "InChI=1S/C24H27N3O4/c1-15(29)27-20-13-26-19(22(27)21(18(20)14-28)24(31)25(2)3)12-11-17(23(26)30)10-9-16-7-5-4-6-8-16/h4-12,18,20-22,28H,13-14H2,1-3H3/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "SFMBZXLPYFCTAU-VXSCBNMQSA-N" ; chebi:mass "421.490" ; chebi:monoisotopicmass "421.20016" ; chebi:smiles "CC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101881" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13242" . obo:CHEBI_101882 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18-,20-,21+/m0/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-CEDBRAGKSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101882" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101883 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C26H31N3O5S" ; chebi:inchi "InChI=1S/C26H31N3O5S/c1-28-20-9-8-18(15-24(30)29-11-3-2-4-12-29)34-22(20)16-33-21-10-7-17(14-19(21)26(28)32)27-25(31)23-6-5-13-35-23/h5-7,10,13-14,18,20,22H,2-4,8-9,11-12,15-16H2,1H3,(H,27,31)/t18-,20+,22-/m0/s1" ; chebi:inchikey "IFOOEWPAOUEVPY-DWLFOUALSA-N" ; chebi:mass "497.609" ; chebi:monoisotopicmass "497.19844" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101883" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide" . obo:CHEBI_101884 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H26FN3O5" ; chebi:inchi "InChI=1S/C23H26FN3O5/c1-27(2)21(29)11-16-10-18-17-9-15(7-8-19(17)32-22(18)20(12-28)31-16)26-23(30)25-14-5-3-13(24)4-6-14/h3-9,16,18,20,22,28H,10-12H2,1-2H3,(H2,25,26,30)/t16-,18-,20-,22+/m0/s1" ; chebi:inchikey "HTNOASUNFPMBNX-JXYHXMIBSA-N" ; chebi:mass "443.469" ; chebi:monoisotopicmass "443.18565" ; chebi:smiles "CN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101884" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide" . obo:CHEBI_101885 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O5S2" ; chebi:inchi "InChI=1S/C22H32N4O5S2/c1-15-11-26(13-21-23-8-9-32-21)16(2)14-31-19-10-17(24-33(5,28)29)6-7-18(19)22(27)25(3)12-20(15)30-4/h6-10,15-16,20,24H,11-14H2,1-5H3/t15-,16+,20+/m0/s1" ; chebi:inchikey "ILRMXYQNFGXKSX-RZQQEMMASA-N" ; chebi:mass "496.646" ; chebi:monoisotopicmass "496.18141" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101885" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101886 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C23H27NO8S" ; chebi:inchi "InChI=1S/C23H27NO8S/c25-16-13-24(21-11-8-19(12-23(26)27)32-22(21)15-30-14-16)33(28,29)20-9-6-18(7-10-20)31-17-4-2-1-3-5-17/h1-7,9-10,16,19,21-22,25H,8,11-15H2,(H,26,27)/t16-,19-,21+,22-/m0/s1" ; chebi:inchikey "WUYMKGAOXGWOLL-VHHKXPHXSA-N" ; chebi:mass "477.529" ; chebi:monoisotopicmass "477.14574" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)O)O[C@@H]1CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101886" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid" . obo:CHEBI_101887 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C36H40N4O4S" ; chebi:inchi "InChI=1S/C36H40N4O4S/c1-36(2,3)45(44)40-23-29-21-30(34(42)37-22-24-11-7-6-8-12-24)38-33(32(29)31(40)17-18-41)27-15-9-13-25(19-27)26-14-10-16-28(20-26)35(43)39(4)5/h6-16,19-21,31,41H,17-18,22-23H2,1-5H3,(H,37,42)/t31-,45-/m0/s1" ; chebi:inchikey "LFBXRJWXGRWLKM-LPCUMCRCSA-N" ; chebi:mass "624.795" ; chebi:monoisotopicmass "624.27703" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)NCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101887" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[3-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101888 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H29N3O5" ; chebi:inchi "InChI=1S/C25H29N3O5/c29-14-22-24-20(11-18(32-22)12-23(30)27-13-17-6-1-2-9-26-17)19-10-16(7-8-21(19)33-24)28-25(31)15-4-3-5-15/h1-2,6-10,15,18,20,22,24,29H,3-5,11-14H2,(H,27,30)(H,28,31)/t18-,20-,22-,24+/m1/s1" ; chebi:inchikey "WYDHQCWIOCTAOJ-YWWGLXIYSA-N" ; chebi:mass "451.516" ; chebi:monoisotopicmass "451.21072" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101888" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_101889 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H27NO7" ; chebi:inchi "InChI=1S/C21H27NO7/c1-26-19(24)10-14-9-16-15-8-13(22-21(25)12-4-6-27-7-5-12)2-3-17(15)29-20(16)18(11-23)28-14/h2-3,8,12,14,16,18,20,23H,4-7,9-11H2,1H3,(H,22,25)/t14-,16+,18-,20-/m0/s1" ; chebi:inchikey "CYYYAXPAVULRAL-HUOQQOJOSA-N" ; chebi:mass "405.442" ; chebi:monoisotopicmass "405.17875" ; chebi:smiles "COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101889" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101890 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40F3N3O5S" ; chebi:inchi "InChI=1S/C26H40F3N3O5S/c1-18-13-32(14-20-8-6-5-7-9-20)19(2)16-37-23-11-10-21(30-38(34,35)17-26(27,28)29)12-22(23)25(33)31(3)15-24(18)36-4/h10-12,18-20,24,30H,5-9,13-17H2,1-4H3/t18-,19-,24+/m0/s1" ; chebi:inchikey "IQLGILJFFYEPBE-AXHZCLLHSA-N" ; chebi:mass "563.675" ; chebi:monoisotopicmass "563.26408" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101890" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide" . obo:CHEBI_101891 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37N5O4" ; chebi:inchi "InChI=1S/C30H37N5O4/c1-21-18-35(15-12-23-8-6-5-7-9-23)22(2)20-39-27-16-24(33-29(36)26-17-31-13-14-32-26)10-11-25(27)30(37)34(3)19-28(21)38-4/h5-11,13-14,16-17,21-22,28H,12,15,18-20H2,1-4H3,(H,33,36)/t21-,22+,28-/m0/s1" ; chebi:inchikey "BQPYXUUVDOUQTE-TYPXCFOJSA-N" ; chebi:mass "531.647" ; chebi:monoisotopicmass "531.28455" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101891" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_101892 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O5" ; chebi:inchi "InChI=1S/C27H36N2O5/c1-18(2)34-27(32)28(5)15-25-19(3)14-29(20(4)16-30)26(31)24-13-9-8-12-23(24)22-11-7-6-10-21(22)17-33-25/h6-13,18-20,25,30H,14-17H2,1-5H3/t19-,20+,25+/m1/s1" ; chebi:inchikey "JTQSYHMCCHKQKK-RNHFSVANSA-N" ; chebi:mass "468.586" ; chebi:monoisotopicmass "468.26242" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OC(C)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101892" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13253" . obo:CHEBI_101893 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32FN3O7S" ; chebi:inchi "InChI=1S/C30H32FN3O7S/c1-34-25-12-11-22(16-29(35)32-17-19-6-5-7-21(14-19)39-2)41-27(25)18-40-26-13-10-20(15-23(26)30(34)36)33-42(37,38)28-9-4-3-8-24(28)31/h3-10,13-15,22,25,27,33H,11-12,16-18H2,1-2H3,(H,32,35)/t22-,25-,27-/m1/s1" ; chebi:inchikey "MRUYUJCJGOFQDV-AVPJRLCVSA-N" ; chebi:mass "597.657" ; chebi:monoisotopicmass "597.19450" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101893" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101894 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C26H30N2O4" ; chebi:inchi "InChI=1S/C26H30N2O4/c29-16-20-22-15-28-21(12-11-19(25(28)30)18-9-5-2-6-10-18)24(23(20)26(31)32)27(22)14-13-17-7-3-1-4-8-17/h1,3-4,7-9,11-12,20,22-24,29H,2,5-6,10,13-16H2,(H,31,32)/t20-,22-,23+,24+/m0/s1" ; chebi:inchikey "BMAHPQVXADCICS-IQFVJIFQSA-N" ; chebi:mass "434.528" ; chebi:monoisotopicmass "434.22056" ; chebi:smiles "C1CCC(=CC1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4CCC5=CC=CC=C5)CN3C2=O)CO)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101894" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13255" . obo:CHEBI_101895 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b182 rdf:type owl:Restriction . obo:CHEBI_101895 rdfs:subClassOf _:b182 . _:b182 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_101895 chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-20-16-31(21(2)18-32)28(34)25-13-9-8-12-24(25)23-11-7-6-10-22(23)19-35-26(20)17-30(5)27(33)14-15-29(3)4/h6-13,20-21,26,32H,14-19H2,1-5H3/t20-,21+,26-/m1/s1" ; chebi:inchikey "IEBNCDQMHLDDBS-YZIHRLCOSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCN(C)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101895" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13256" . obo:CHEBI_101896 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H28F3N3O5S" ; chebi:inchi "InChI=1S/C19H28F3N3O5S/c1-12-8-23-13(2)10-30-16-7-14(24-31(27,28)11-19(20,21)22)5-6-15(16)18(26)25(3)9-17(12)29-4/h5-7,12-13,17,23-24H,8-11H2,1-4H3/t12-,13+,17+/m1/s1" ; chebi:inchikey "BGDCTPQGAPJUMB-IGCXYCKISA-N" ; chebi:mass "467.505" ; chebi:monoisotopicmass "467.17018" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101896" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_101897 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C18H33N3O4" ; chebi:inchi "InChI=1S/C18H33N3O4/c22-14-11-20-16-5-4-15(25-17(16)13-24-12-14)10-18(23)19-6-9-21-7-2-1-3-8-21/h14-17,20,22H,1-13H2,(H,19,23)/t14-,15-,16-,17+/m1/s1" ; chebi:inchikey "WSFSIZCPNKDEIH-VQHPVUNQSA-N" ; chebi:mass "355.473" ; chebi:monoisotopicmass "355.24711" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101897" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101898 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c1-15-9-16(2)11-18(10-15)28-26(32)27-17-5-8-22-20(12-17)25(31)29(3)21-7-6-19(13-24(30)33-4)35-23(21)14-34-22/h5,8-12,19,21,23H,6-7,13-14H2,1-4H3,(H2,27,28,32)/t19-,21+,23-/m0/s1" ; chebi:inchikey "ANPNCKARMDTJMY-WPYKKVEZSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@H](O4)CC(=O)OC)N(C3=O)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101898" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101899 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C17H23N3O3" ; chebi:inchi "InChI=1S/C17H23N3O3/c1-19-13-8-20-12(3-2-4-14(20)22)16(19)15(11(13)9-21)17(23)18-7-10-5-6-10/h2-4,10-11,13,15-16,21H,5-9H2,1H3,(H,18,23)/t11-,13-,15+,16+/m1/s1" ; chebi:inchikey "INXWNUBULGNKSP-OYNZBZHQSA-N" ; chebi:mass "317.383" ; chebi:monoisotopicmass "317.17394" ; chebi:smiles "CN1[C@@H]2CN3C(=O)C=CC=C3[C@H]1[C@H]([C@@H]2CO)C(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101899" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13260" . obo:CHEBI_1019 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_29347 . _:b183 rdf:type owl:Restriction . obo:CHEBI_1019 rdfs:subClassOf _:b183 . _:b183 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_15573 . _:b184 rdf:type owl:Restriction . obo:CHEBI_1019 rdfs:subClassOf _:b184 . _:b184 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_16359 . obo:CHEBI_1019 obo:IAO_0000115 "The N-(2-phosphoethyl0amide of cholic acid." ; chebi:charge "0" ; chebi:formula "C26H46NO7P" ; chebi:inchi "InChI=1S/C26H46NO7P/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H2,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1" ; chebi:inchikey "BGUPNWPPECTFDP-HZAMXZRMSA-N" ; chebi:mass "515.61970" ; chebi:monoisotopicmass "515.30119" ; chebi:smiles "[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCP(O)(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:1019" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N-(2-phosphonoethyl)cholamide" . obo:CHEBI_10190 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28537 ; owl:deprecated true . obo:CHEBI_101900 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30FN3O5S" ; chebi:inchi "InChI=1S/C23H30FN3O5S/c1-15-12-25-16(2)14-32-21-9-8-18(11-20(21)23(28)27(3)13-22(15)31-4)26-33(29,30)19-7-5-6-17(24)10-19/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16+,22-/m0/s1" ; chebi:inchikey "FAXXRWNSKSYYIM-DMPWYTOCSA-N" ; chebi:mass "479.567" ; chebi:monoisotopicmass "479.18902" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101900" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101901 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H37FN4O6S" ; chebi:inchi "InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25-,27-/m0/s1" ; chebi:inchikey "TUUZOQPHVDGSNW-LNBJVWSJSA-N" ; chebi:mass "588.693" ; chebi:monoisotopicmass "588.24178" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101901" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101902 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-17-14-26-18(2)16-32-22-11-10-20(27-24(29)12-19-8-6-5-7-9-19)13-21(22)25(30)28(3)15-23(17)31-4/h5-11,13,17-18,23,26H,12,14-16H2,1-4H3,(H,27,29)/t17-,18+,23+/m0/s1" ; chebi:inchikey "RIFMDYVXBSMSIP-YZZKKUAISA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101902" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_101903 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25FN2O4" ; chebi:inchi "InChI=1S/C18H25FN2O4/c1-2-17(23)21-15-8-7-13(25-16(15)11-22)9-18(24)20-10-12-5-3-4-6-14(12)19/h3-6,13,15-16,22H,2,7-11H2,1H3,(H,20,24)(H,21,23)/t13-,15+,16-/m0/s1" ; chebi:inchikey "BYMJCSXXYVSKMN-IMJJTQAJSA-N" ; chebi:mass "352.401" ; chebi:monoisotopicmass "352.17984" ; chebi:smiles "CCC(=O)N[C@@H]1CC[C@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=C2F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101903" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide" . obo:CHEBI_101904 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H33N3O6S" ; chebi:inchi "InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26-,28-/m0/s1" ; chebi:inchikey "IPBHQWGLWRAHKP-MPYJOUPCSA-N" ; chebi:mass "563.667" ; chebi:monoisotopicmass "563.20901" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101904" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_101905 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H38N4O5" ; chebi:inchi "InChI=1S/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20+,26+/m1/s1" ; chebi:inchikey "ZWMNFEZEGHFZOH-GOHWNWGWSA-N" ; chebi:mass "522.637" ; chebi:monoisotopicmass "522.28422" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101905" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea" . obo:CHEBI_101906 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O7S" ; chebi:inchi "InChI=1S/C22H25ClN2O7S/c23-15-2-5-17(6-3-15)33(28,29)25-18-7-4-16(32-21(18)12-26)9-10-24-22(27)14-1-8-19-20(11-14)31-13-30-19/h1-3,5-6,8,11,16,18,21,25-26H,4,7,9-10,12-13H2,(H,24,27)/t16-,18+,21+/m1/s1" ; chebi:inchikey "WVRHSCPXBJSNMQ-MMOPVJDHSA-N" ; chebi:mass "496.963" ; chebi:monoisotopicmass "496.10710" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNC(=O)C2=CC3=C(C=C2)OCO3)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101906" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6R)-5-[(4-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101907 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C12H21NO5" ; chebi:inchi "InChI=1S/C12H21NO5/c1-16-12(15)4-9-2-3-10-11(18-9)7-17-6-8(14)5-13-10/h8-11,13-14H,2-7H2,1H3/t8-,9-,10+,11-/m0/s1" ; chebi:inchikey "FKMAUGDURCCEJG-MMWGEVLESA-N" ; chebi:mass "259.299" ; chebi:monoisotopicmass "259.14197" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101907" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101908 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-32-24-7-6-21(17-27(34)30-9-3-10-33-11-13-37-14-12-33)39-26(24)19-38-25-8-5-20(16-23(25)29(32)36)31-28(35)18-22-4-2-15-40-22/h2,4-5,8,15-16,21,24,26H,3,6-7,9-14,17-19H2,1H3,(H,30,34)(H,31,35)/t21-,24-,26+/m1/s1" ; chebi:inchikey "CJRLOTNMWBMMLN-QQSVUBKYSA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101908" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101909 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33F3N2O5S" ; chebi:inchi "InChI=1S/C30H33F3N2O5S/c1-20-16-35(21(2)18-36)29(37)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-40-28(20)17-34(3)41(38,39)24-14-12-23(13-15-24)30(31,32)33/h4-15,20-21,28,36H,16-19H2,1-3H3/t20-,21+,28+/m1/s1" ; chebi:inchikey "VUGFGKFGZUURHO-GGJMMHKRSA-N" ; chebi:mass "590.656" ; chebi:monoisotopicmass "590.20623" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101909" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13270" . obo:CHEBI_10191 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17613 ; owl:deprecated true . obo:CHEBI_101910 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30N4O5S" ; chebi:inchi "InChI=1S/C21H30N4O5S/c1-16(20(30-4)14-24(3)21(27)19-12-22-10-11-23-19)13-25(17(2)15-26)31(28,29)18-8-6-5-7-9-18/h5-12,16-17,20,26H,13-15H2,1-4H3/t16-,17-,20-/m0/s1" ; chebi:inchikey "RULZJLKRRRCHIA-ZWOKBUDYSA-N" ; chebi:mass "450.554" ; chebi:monoisotopicmass "450.19369" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101910" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_101911 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30ClFN2O5S" ; chebi:inchi "InChI=1S/C23H30ClFN2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17+,22-/m1/s1" ; chebi:inchikey "FWFBMTYWKZBKQZ-HYFFOGBASA-N" ; chebi:mass "501.013" ; chebi:monoisotopicmass "500.15480" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101911" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_101912 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H33N5O5" ; chebi:inchi "InChI=1S/C26H33N5O5/c32-20-16-31(26(34)22-15-27-8-9-28-22)23-7-6-21(36-24(23)18-35-17-20)14-25(33)30-12-10-29(11-13-30)19-4-2-1-3-5-19/h1-5,8-9,15,20-21,23-24,32H,6-7,10-14,16-18H2/t20-,21+,23-,24+/m1/s1" ; chebi:inchikey "LCHNJAZNAXXEPD-JSRBNTPPSA-N" ; chebi:mass "495.572" ; chebi:monoisotopicmass "495.24817" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@@H]1CC(=O)N4CCN(CC4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101912" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_101913 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C18H18FN3O4S" ; chebi:inchi "InChI=1S/C18H18FN3O4S/c19-12-3-1-2-11(8-12)17(25)21-14-5-4-13(26-15(14)10-23)9-16(24)22-18-20-6-7-27-18/h1-8,13-15,23H,9-10H2,(H,21,25)(H,20,22,24)/t13-,14-,15+/m1/s1" ; chebi:inchikey "UCAVQNBXNWPRQF-KFWWJZLASA-N" ; chebi:mass "391.418" ; chebi:monoisotopicmass "391.10021" ; chebi:smiles "C1=CC(=CC(=C1)F)C(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101913" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_101914 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H26N6O4" ; chebi:inchi "InChI=1S/C22H26N6O4/c1-31-20-5-3-2-4-16(20)19-13-28(27-26-19)11-8-15-6-7-17(21(14-29)32-15)25-22(30)18-12-23-9-10-24-18/h2-5,9-10,12-13,15,17,21,29H,6-8,11,14H2,1H3,(H,25,30)/t15-,17-,21-/m1/s1" ; chebi:inchikey "WCJFLIIYNCSVNP-QLVMHMETSA-N" ; chebi:mass "438.480" ; chebi:monoisotopicmass "438.20155" ; chebi:smiles "COC1=CC=CC=C1C2=CN(N=N2)CC[C@H]3CC[C@H]([C@H](O3)CO)NC(=O)C4=NC=CN=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101914" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyrazinecarboxamide" . obo:CHEBI_101915 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-9-26(31)28-22-12-13-24-23(14-22)27(32)29(4)17-25(33-5)19(2)15-30(20(3)18-34-24)16-21-10-7-8-11-21/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20-,25-/m0/s1" ; chebi:inchikey "VSOIFNIWZGPCNV-RLSLOFABSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101915" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101916 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16-,18-,19+/m0/s1" ; chebi:inchikey "LYYREMJMDQKNES-OYSPMZIOSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@H]1C(=O)N(C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101916" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13277" . obo:CHEBI_101917 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H22F3N3O5" ; chebi:inchi "InChI=1S/C22H22F3N3O5/c23-22(24,25)11-27-19(30)8-14-7-16-15-6-13(28-21(31)12-2-1-5-26-9-12)3-4-17(15)33-20(16)18(10-29)32-14/h1-6,9,14,16,18,20,29H,7-8,10-11H2,(H,27,30)(H,28,31)/t14-,16+,18-,20-/m1/s1" ; chebi:inchikey "ILIPRRONQGJVHL-IHMNZUQTSA-N" ; chebi:mass "465.423" ; chebi:monoisotopicmass "465.15116" ; chebi:smiles "C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101917" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101918 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H40N4O6" ; chebi:inchi "InChI=1S/C27H40N4O6/c1-18-14-31(25(32)16-30-9-11-36-12-10-30)19(2)17-37-23-8-7-21(28-26(33)20-5-6-20)13-22(23)27(34)29(3)15-24(18)35-4/h7-8,13,18-20,24H,5-6,9-12,14-17H2,1-4H3,(H,28,33)/t18-,19-,24+/m0/s1" ; chebi:inchikey "UGPRBZOFAYTTOL-AXHZCLLHSA-N" ; chebi:mass "516.631" ; chebi:monoisotopicmass "516.29479" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)C(=O)CN4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101918" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-5-[2-(4-morpholinyl)-1-oxoethyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101919 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H25ClFN3O5S" ; chebi:inchi "InChI=1S/C21H25ClFN3O5S/c22-14-3-1-6-18(11-14)32(29,30)24-10-9-17-7-8-19(20(13-27)31-17)26-21(28)25-16-5-2-4-15(23)12-16/h1-6,11-12,17,19-20,24,27H,7-10,13H2,(H2,25,26,28)/t17-,19-,20+/m1/s1" ; chebi:inchikey "FXPAFMKRDBMTQM-RLLQIKCJSA-N" ; chebi:mass "485.959" ; chebi:monoisotopicmass "485.11875" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CCNS(=O)(=O)C2=CC(=CC=C2)Cl)CO)NC(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101919" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(3-fluorophenyl)urea" . obo:CHEBI_10192 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17528 ; owl:deprecated true . obo:CHEBI_101920 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C17H21FN2O4" ; chebi:inchi "InChI=1S/C17H21FN2O4/c1-20(2)16(22)9-13-7-8-14(15(10-21)24-13)19-17(23)11-3-5-12(18)6-4-11/h3-8,13-15,21H,9-10H2,1-2H3,(H,19,23)/t13-,14-,15-/m1/s1" ; chebi:inchikey "AKLLRXAVVXEIMF-RBSFLKMASA-N" ; chebi:mass "336.359" ; chebi:monoisotopicmass "336.14854" ; chebi:smiles "CN(C)C(=O)C[C@H]1C=C[C@H]([C@H](O1)CO)NC(=O)C2=CC=C(C=C2)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101920" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide" . obo:CHEBI_101921 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-37-29-8-3-2-6-25(29)17-33-31(36)16-27-9-10-28-30(39-27)21-38-20-26(35)19-34(28)18-22-5-4-7-24(15-22)23-11-13-32-14-12-23/h2-8,11-15,26-28,30,35H,9-10,16-21H2,1H3,(H,33,36)/t26-,27-,28+,30-/m1/s1" ; chebi:inchikey "IQZRHVPMCXNVFS-PJCXANEISA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC=CC(=C4)C5=CC=NC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101921" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101922 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H39N3O7S" ; chebi:inchi "InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23+,25+,27+,28-/m0/s1" ; chebi:inchikey "IXXIZSABFJAVRH-WYKYZISXSA-N" ; chebi:mass "573.703" ; chebi:monoisotopicmass "573.25087" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101922" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_101923 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30F3N3O5" ; chebi:inchi "InChI=1S/C31H30F3N3O5/c32-31(33,34)20-5-7-21(8-6-20)35-30(40)36-22-9-10-26-24(13-22)25-14-23(41-27(17-38)29(25)42-26)15-28(39)37-12-11-18-3-1-2-4-19(18)16-37/h1-10,13,23,25,27,29,38H,11-12,14-17H2,(H2,35,36,40)/t23-,25-,27+,29+/m1/s1" ; chebi:inchikey "HHNPVBFCYHNCMG-UXLOVFDUSA-N" ; chebi:mass "581.583" ; chebi:monoisotopicmass "581.21376" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@H]4[C@@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)NC6=CC=C(C=C6)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101923" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101924 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-10-9-20(27-24(30)18-7-6-8-19(26)11-18)12-21(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17+,23+/m1/s1" ; chebi:inchikey "CFNBOAHXJHVCOD-DGGJZMOXSA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101924" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101925 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35F2N3O4" ; chebi:inchi "InChI=1S/C28H35F2N3O4/c1-17-13-33(14-20-11-21(29)7-10-24(20)30)18(2)16-37-25-12-22(31-27(34)19-5-6-19)8-9-23(25)28(35)32(3)15-26(17)36-4/h7-12,17-19,26H,5-6,13-16H2,1-4H3,(H,31,34)/t17-,18+,26-/m0/s1" ; chebi:inchikey "MHGGQJRIOQBKBK-DFXHWTJYSA-N" ; chebi:mass "515.593" ; chebi:monoisotopicmass "515.25956" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101925" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[(2,5-difluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101926 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-29(2)15-25(32)28-19-7-8-23-21(11-19)22-12-20(34-24(16-31)27(22)35-23)13-26(33)30-10-9-17-5-3-4-6-18(17)14-30/h3-8,11,20,22,24,27,31H,9-10,12-16H2,1-2H3,(H,28,32)/t20-,22+,24-,27-/m0/s1" ; chebi:inchikey "AJOHYGOUUFRWKL-QNKJOHNESA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101926" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide" . obo:CHEBI_101927 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H27Cl2FN2O5" ; chebi:inchi "InChI=1S/C25H27Cl2FN2O5/c26-19-7-5-15(9-20(19)27)11-29-24(32)10-17-6-8-22-23(35-17)14-34-13-16(31)12-30(22)25(33)18-3-1-2-4-21(18)28/h1-5,7,9,16-17,22-23,31H,6,8,10-14H2,(H,29,32)/t16-,17-,22-,23+/m0/s1" ; chebi:inchikey "NLZWENHPOORBAO-BSWISCRUSA-N" ; chebi:mass "525.398" ; chebi:monoisotopicmass "524.12811" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@@H]1CC(=O)NCC4=CC(=C(C=C4)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101927" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_101928 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H43N3O4" ; chebi:inchi "InChI=1S/C28H43N3O4/c32-21-26-25(29-27(33)13-16-30-14-5-2-6-15-30)10-9-24(35-26)20-28(34)31-17-11-23(12-18-31)19-22-7-3-1-4-8-22/h1,3-4,7-8,23-26,32H,2,5-6,9-21H2,(H,29,33)/t24-,25-,26+/m1/s1" ; chebi:inchikey "HBACCIGQRKGJSE-CYXNTTPDSA-N" ; chebi:mass "485.660" ; chebi:monoisotopicmass "485.32536" ; chebi:smiles "C1CCN(CC1)CCC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101928" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_101929 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H34N4O7" ; chebi:inchi "InChI=1S/C24H34N4O7/c1-26-6-8-27(9-7-26)23(30)11-18-3-4-19-22(35-18)14-32-13-17(29)12-28(19)24(31)25-16-2-5-20-21(10-16)34-15-33-20/h2,5,10,17-19,22,29H,3-4,6-9,11-15H2,1H3,(H,25,31)/t17-,18-,19+,22-/m0/s1" ; chebi:inchikey "QICYWJCDSALLPT-VWNVYAMZSA-N" ; chebi:mass "490.550" ; chebi:monoisotopicmass "490.24275" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101929" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_10193 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18144 ; owl:deprecated true . obo:CHEBI_101930 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33N3O5S" ; chebi:inchi "InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-38-29(21)18-32(3)39(36,37)25-11-8-9-23(15-25)16-31/h4-15,21-22,29,34H,17-20H2,1-3H3/t21-,22-,29-/m1/s1" ; chebi:inchikey "RWOMJVAVZPFCIF-IEOSBIPESA-N" ; chebi:mass "547.667" ; chebi:monoisotopicmass "547.21409" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101930" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13291" . obo:CHEBI_101931 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H41N5O3S" ; chebi:inchi "InChI=1S/C34H41N5O3S/c1-34(2,3)43(42)39-23-28-21-29(33(41)36-15-18-38-16-5-4-6-17-38)37-32(31(28)30(39)14-19-40)27-9-7-8-26(20-27)25-12-10-24(22-35)11-13-25/h7-13,20-21,30,40H,4-6,14-19,23H2,1-3H3,(H,36,41)/t30-,43-/m0/s1" ; chebi:inchikey "TZEAMANOEIDNTF-IPKWWJLYSA-N" ; chebi:mass "599.788" ; chebi:monoisotopicmass "599.29301" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCCN5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101931" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101932 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O5" ; chebi:inchi "InChI=1S/C24H30N2O5/c1-26(2)16-8-9-21-18(10-16)19-11-17(30-22(14-27)24(19)31-21)12-23(28)25-13-15-6-4-5-7-20(15)29-3/h4-10,17,19,22,24,27H,11-14H2,1-3H3,(H,25,28)/t17-,19-,22-,24+/m1/s1" ; chebi:inchikey "YXRWVZTUBKEEPU-NAOSLSSXSA-N" ; chebi:mass "426.506" ; chebi:monoisotopicmass "426.21547" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=C4OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101932" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101933 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H38FN3O4" ; chebi:inchi "InChI=1S/C28H38FN3O4/c1-6-7-27(33)30-23-12-13-24-25(14-23)36-18-20(3)32(16-21-8-10-22(29)11-9-21)15-19(2)26(35-5)17-31(4)28(24)34/h8-14,19-20,26H,6-7,15-18H2,1-5H3,(H,30,33)/t19-,20-,26-/m0/s1" ; chebi:inchikey "KMKGAVOVEHQLPH-DYLHXGEVSA-N" ; chebi:mass "499.618" ; chebi:monoisotopicmass "499.28463" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@H](CO2)C)CC3=CC=C(C=C3)F)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101933" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-8-[(4-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101934 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-27-23(16-21(36-25)17-26(34)29-11-14-32-12-5-2-6-13-32)22-15-20(9-10-24(22)37-27)31-28(35)30-19-7-3-1-4-8-19/h1,3-4,7-10,15,21,23,25,27,33H,2,5-6,11-14,16-18H2,(H,29,34)(H2,30,31,35)/t21-,23-,25+,27+/m0/s1" ; chebi:inchikey "VIZOEWJOWGMLTK-JZEPBHRJSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101934" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101935 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O6S" ; chebi:inchi "InChI=1S/C30H45N3O6S/c1-22-19-33(23(2)21-34)30(35)27-18-25(31(4)5)15-16-28(27)39-24(3)12-10-11-17-38-29(22)20-32(6)40(36,37)26-13-8-7-9-14-26/h7-9,13-16,18,22-24,29,34H,10-12,17,19-21H2,1-6H3/t22-,23+,24+,29-/m0/s1" ; chebi:inchikey "GPFIDTWNGXWRJK-SEAFADMZSA-N" ; chebi:mass "575.762" ; chebi:monoisotopicmass "575.30291" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101935" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzenesulfonamide" . obo:CHEBI_101936 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-15-8-9-16-29(28)35(32)4)27-14-7-6-11-24(27)21-42-30(22)19-34(3)43(39,40)26-13-10-12-25(17-26)41-5/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23+,30+/m1/s1" ; chebi:inchikey "ZFRPCBGONKGXGW-HFZPWKHCSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101936" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13297" . obo:CHEBI_101937 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C30H40N4O3S" ; chebi:inchi "InChI=1S/C30H40N4O3S/c1-30(2,3)38(37)34-20-24-19-25(29(36)33-15-13-32(4)14-16-33)31-28(27(24)26(34)12-17-35)23-11-7-10-22(18-23)21-8-5-6-9-21/h7-8,10-11,18-19,26,35H,5-6,9,12-17,20H2,1-4H3/t26-,38-/m1/s1" ; chebi:inchikey "VSPYGNDYHLSTDT-UOBPVEMNSA-N" ; chebi:mass "536.731" ; chebi:monoisotopicmass "536.28211" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC(=CC=C3)C4=CCCC4)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101937" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_101938 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O5" ; chebi:inchi "InChI=1S/C23H35N3O5/c1-7-21(27)24-17-9-10-19-18(11-17)23(29)25(5)13-20(30-6)15(3)12-26(22(28)8-2)16(4)14-31-19/h9-11,15-16,20H,7-8,12-14H2,1-6H3,(H,24,27)/t15-,16+,20+/m0/s1" ; chebi:inchikey "ILJGMXMVVDGLNM-RZQQEMMASA-N" ; chebi:mass "433.542" ; chebi:monoisotopicmass "433.25767" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101938" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_101939 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H38FN3O4" ; chebi:inchi "InChI=1S/C23H38FN3O4/c1-17(22(30-4)15-26(3)14-19-9-11-31-12-10-19)13-27(18(2)16-28)23(29)25-21-7-5-20(24)6-8-21/h5-8,17-19,22,28H,9-16H2,1-4H3,(H,25,29)/t17-,18-,22+/m1/s1" ; chebi:inchikey "IUSZJOKEOVUDOA-HMFYCAOWSA-N" ; chebi:mass "439.565" ; chebi:monoisotopicmass "439.28463" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2CCOCC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101939" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(4-oxanylmethyl)amino]butyl]urea" . obo:CHEBI_10194 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16275 ; owl:deprecated true . obo:CHEBI_101940 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H39N3O5" ; chebi:inchi "InChI=1S/C28H39N3O5/c1-30-18-24-23(34-3)11-10-21(36-24)12-15-35-26-20(17-29)8-7-9-22(26)27(33)31(2)19-28(16-25(30)32)13-5-4-6-14-28/h7-9,21,23-24H,4-6,10-16,18-19H2,1-3H3/t21-,23+,24+/m0/s1" ; chebi:inchikey "NNLRSZHLKPFWRY-QPTUXGOLSA-N" ; chebi:mass "497.627" ; chebi:monoisotopicmass "497.28897" ; chebi:smiles "CN1C[C@@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(CC4(CCCCC4)CC1=O)C)C#N)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101940" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13301" . obo:CHEBI_101941 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H38ClN3O7S" ; chebi:inchi "InChI=1S/C29H38ClN3O7S/c1-19-16-33(41(36,37)24-8-5-22(30)6-9-24)20(2)18-40-26-10-7-23(31-28(34)21-11-13-39-14-12-21)15-25(26)29(35)32(3)17-27(19)38-4/h5-10,15,19-21,27H,11-14,16-18H2,1-4H3,(H,31,34)/t19-,20-,27-/m1/s1" ; chebi:inchikey "IYBICYHBWQURDQ-SEXOINJZSA-N" ; chebi:mass "608.148" ; chebi:monoisotopicmass "607.21190" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101941" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-(4-chlorophenyl)sulfonyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_101942 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C29H36N4O3" ; chebi:inchi "InChI=1S/C29H36N4O3/c34-18-23-25-17-33-24(9-8-22(29(33)36)21-4-2-1-3-5-21)27(32(25)16-20-6-7-20)26(23)28(35)31-15-12-19-10-13-30-14-11-19/h4,8-11,13-14,20,23,25-27,34H,1-3,5-7,12,15-18H2,(H,31,35)/t23-,25-,26+,27+/m0/s1" ; chebi:inchikey "FIQPJBHILIXVDO-ALLMYJPZSA-N" ; chebi:mass "488.622" ; chebi:monoisotopicmass "488.27874" ; chebi:smiles "C1CCC(=CC1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4CC5CC5)CN3C2=O)CO)C(=O)NCCC6=CC=NC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101942" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13303" . obo:CHEBI_101943 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H33N3O6S" ; chebi:inchi "InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26+,28+/m0/s1" ; chebi:inchikey "IPBHQWGLWRAHKP-DKRHUIDYSA-N" ; chebi:mass "563.667" ; chebi:monoisotopicmass "563.20901" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101943" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_101944 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H37N3O5" ; chebi:inchi "InChI=1S/C29H37N3O5/c1-18(19-8-4-2-5-9-19)30-27(34)16-22-15-24-23-14-21(32-29(35)31-20-10-6-3-7-11-20)12-13-25(23)37-28(24)26(17-33)36-22/h2,4-5,8-9,12-14,18,20,22,24,26,28,33H,3,6-7,10-11,15-17H2,1H3,(H,30,34)(H2,31,32,35)/t18-,22-,24-,26+,28+/m0/s1" ; chebi:inchikey "CGDALBMFLMENHX-WIAMOBPISA-N" ; chebi:mass "507.622" ; chebi:monoisotopicmass "507.27332" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101944" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101945 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H33N3O6S" ; chebi:inchi "InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26+,28-/m0/s1" ; chebi:inchikey "IPBHQWGLWRAHKP-YIOBJHAYSA-N" ; chebi:mass "563.667" ; chebi:monoisotopicmass "563.20901" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101945" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_101946 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H32N2O7S" ; chebi:inchi "InChI=1S/C21H32N2O7S/c1-28-18-4-2-3-5-20(18)31(26,27)23-17-7-6-16(30-19(17)14-24)8-11-22-21(25)15-9-12-29-13-10-15/h2-5,15-17,19,23-24H,6-14H2,1H3,(H,22,25)/t16-,17-,19+/m1/s1" ; chebi:inchikey "BDFFQCHCBQOAPA-LMMKCTJWSA-N" ; chebi:mass "456.555" ; chebi:monoisotopicmass "456.19302" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CCNC(=O)C3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101946" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide" . obo:CHEBI_101947 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C30H41N3O4" ; chebi:inchi "InChI=1S/C30H41N3O4/c1-21-17-33(22(2)19-34)29(35)27-16-10-9-15-26(27)25-14-8-7-11-23(25)20-37-28(21)18-32(3)30(36)31-24-12-5-4-6-13-24/h7-11,14-16,21-22,24,28,34H,4-6,12-13,17-20H2,1-3H3,(H,31,36)/t21-,22-,28+/m0/s1" ; chebi:inchikey "FOMDXHZXOKRLRD-RXYILKCJSA-N" ; chebi:mass "507.665" ; chebi:monoisotopicmass "507.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101947" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13308" . obo:CHEBI_101948 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c1-28(2)24(32)15-6-3-5-14(11-15)17-9-10-20-22-21(23(31)26-16-7-4-8-16)18(13-30)19(27-22)12-29(20)25(17)33/h3,5-6,9-11,16,18-19,21-22,27,30H,4,7-8,12-13H2,1-2H3,(H,26,31)/t18-,19-,21+,22+/m0/s1" ; chebi:inchikey "NFKFSUDWHJDXEV-SEIRJHJZSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4)CN3C2=O)CO)C(=O)NC5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101948" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13309" . obo:CHEBI_101949 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H30F3N3O3" ; chebi:inchi "InChI=1S/C24H30F3N3O3/c25-24(26,27)9-10-29-19-12-30-18(8-7-16(23(30)33)15-3-1-2-4-15)21(29)20(17(19)13-31)22(32)28-11-14-5-6-14/h3,7-8,14,17,19-21,31H,1-2,4-6,9-13H2,(H,28,32)/t17-,19-,20+,21+/m0/s1" ; chebi:inchikey "AMCQVYASXAVENJ-MJUUVYJYSA-N" ; chebi:mass "465.509" ; chebi:monoisotopicmass "465.22393" ; chebi:smiles "C1CC=C(C1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4CCC(F)(F)F)CN3C2=O)CO)C(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101949" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13310" . obo:CHEBI_10195 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16818 ; owl:deprecated true . obo:CHEBI_101950 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O5S" ; chebi:inchi "InChI=1S/C30H36N2O5S/c1-21-11-5-10-16-29(21)38(35,36)31(4)18-28-22(2)17-32(23(3)19-33)30(34)27-15-9-8-14-26(27)25-13-7-6-12-24(25)20-37-28/h5-16,22-23,28,33H,17-20H2,1-4H3/t22-,23+,28-/m1/s1" ; chebi:inchikey "RCQCJVVJEHACDL-AWVRMFGXSA-N" ; chebi:mass "536.684" ; chebi:monoisotopicmass "536.23449" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101950" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13311" . obo:CHEBI_101951 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O4" ; chebi:inchi "InChI=1S/C27H36N4O4/c1-18-14-31(15-20-9-11-28-12-10-20)19(2)17-35-24-13-22(29-26(32)21-5-6-21)7-8-23(24)27(33)30(3)16-25(18)34-4/h7-13,18-19,21,25H,5-6,14-17H2,1-4H3,(H,29,32)/t18-,19-,25-/m1/s1" ; chebi:inchikey "RHXUULWZVSTJED-MPCDZSKCSA-N" ; chebi:mass "480.600" ; chebi:monoisotopicmass "480.27366" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101951" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101952 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27N3O6S" ; chebi:inchi "InChI=1S/C22H27N3O6S/c1-30-17-2-5-19(6-3-17)32(28,29)25-20-7-4-18(31-21(20)15-26)14-22(27)24-13-10-16-8-11-23-12-9-16/h2-9,11-12,18,20-21,25-26H,10,13-15H2,1H3,(H,24,27)/t18-,20+,21-/m1/s1" ; chebi:inchikey "SKMIIEGWSYGYOW-HLAWJBBLSA-N" ; chebi:mass "461.533" ; chebi:monoisotopicmass "461.16206" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101952" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101953 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H25ClFN3O5S" ; chebi:inchi "InChI=1S/C21H25ClFN3O5S/c22-14-3-1-6-18(11-14)32(29,30)24-10-9-17-7-8-19(20(13-27)31-17)26-21(28)25-16-5-2-4-15(23)12-16/h1-6,11-12,17,19-20,24,27H,7-10,13H2,(H2,25,26,28)/t17-,19-,20-/m1/s1" ; chebi:inchikey "FXPAFMKRDBMTQM-MISYRCLQSA-N" ; chebi:mass "485.959" ; chebi:monoisotopicmass "485.11875" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCNS(=O)(=O)C2=CC(=CC=C2)Cl)CO)NC(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101953" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(3-fluorophenyl)urea" . obo:CHEBI_101954 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C17H15FN2O" ; chebi:inchi "InChI=1S/C17H15FN2O/c18-14-3-1-2-13(8-14)11-4-6-12(7-5-11)17-15(9-19)20-16(17)10-21/h1-8,15-17,20-21H,10H2/t15-,16+,17-/m0/s1" ; chebi:inchikey "WYIJFLWERXFFKQ-BBWFWOEESA-N" ; chebi:mass "282.313" ; chebi:monoisotopicmass "282.11684" ; chebi:smiles "C1=CC(=CC(=C1)F)C2=CC=C(C=C2)[C@@H]3[C@H](N[C@H]3C#N)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101954" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101955 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c1-22(2)13-5-6-17-15(7-13)16-8-14(25-18(11-23)20(16)26-17)9-19(24)21-10-12-3-4-12/h5-7,12,14,16,18,20,23H,3-4,8-11H2,1-2H3,(H,21,24)/t14-,16-,18-,20+/m1/s1" ; chebi:inchikey "JLJMCVQNTFDIRA-ODZKNYGOSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101955" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_101956 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O5S" ; chebi:inchi "InChI=1S/C25H36N4O5S/c1-6-35(31,32)27-20-10-11-23-22(13-20)25(30)28(4)16-24(33-5)18(2)14-29(19(3)17-34-23)15-21-9-7-8-12-26-21/h7-13,18-19,24,27H,6,14-17H2,1-5H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "NFKQXDUJHPCZLU-XLNZFTOWSA-N" ; chebi:mass "504.644" ; chebi:monoisotopicmass "504.24064" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101956" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_101957 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H19N3O3" ; chebi:inchi "InChI=1S/C19H19N3O3/c1-25-17-10-6-5-9-14(17)21-19(24)22-15(11-20)18(16(22)12-23)13-7-3-2-4-8-13/h2-10,15-16,18,23H,12H2,1H3,(H,21,24)/t15-,16+,18-/m0/s1" ; chebi:inchikey "MOIIHOSYSQGYMW-JZXOWHBKSA-N" ; chebi:mass "337.373" ; chebi:monoisotopicmass "337.14264" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2[C@@H]([C@H]([C@@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101957" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide" . obo:CHEBI_101958 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H32N2O5S2" ; chebi:inchi "InChI=1S/C27H32N2O5S2/c1-19-15-29(20(2)17-30)27(31)24-12-7-6-11-23(24)22-10-5-4-9-21(22)18-34-25(19)16-28(3)36(32,33)26-13-8-14-35-26/h4-14,19-20,25,30H,15-18H2,1-3H3/t19-,20+,25-/m0/s1" ; chebi:inchikey "YEGLVGBFCXLPBD-DFIYOIEZSA-N" ; chebi:mass "528.687" ; chebi:monoisotopicmass "528.17526" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CS4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101958" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13319" . obo:CHEBI_101959 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C15H16FNO5" ; chebi:inchi "InChI=1S/C15H16FNO5/c16-11-4-2-1-3-10(11)15(21)17-12-6-5-9(7-14(19)20)22-13(12)8-18/h1-6,9,12-13,18H,7-8H2,(H,17,21)(H,19,20)/t9-,12-,13-/m0/s1" ; chebi:inchikey "QPJNNDOFKLWHFX-XDTLVQLUSA-N" ; chebi:mass "309.290" ; chebi:monoisotopicmass "309.10125" ; chebi:smiles "C1=CC=C(C(=C1)C(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)O)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101959" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid" . obo:CHEBI_10196 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28870 ; owl:deprecated true . obo:CHEBI_101960 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H34N2O6S" ; chebi:inchi "InChI=1S/C30H34N2O6S/c1-21-6-5-9-27(16-21)39(35,36)32-18-25(33)19-37-20-29-28(32)15-14-26(38-29)17-30(34)31-24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-13,16,25-26,28-29,33H,14-15,17-20H2,1H3,(H,31,34)/t25-,26+,28+,29-/m0/s1" ; chebi:inchikey "LOPBZILAZMWERO-MFACLRLHSA-N" ; chebi:mass "550.668" ; chebi:monoisotopicmass "550.21376" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101960" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101961 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c30-17-23-21(28-25(32)22-16-26-10-11-27-22)7-6-20(33-23)15-24(31)29-12-8-19(9-13-29)14-18-4-2-1-3-5-18/h1-7,10-11,16,19-21,23,30H,8-9,12-15,17H2,(H,28,32)/t20-,21+,23-/m0/s1" ; chebi:inchikey "USGDOGGJJOICMT-XJUOHMSHSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "C1CN(CCC1CC2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)C4=NC=CN=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101961" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide" . obo:CHEBI_101962 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O5" ; chebi:inchi "InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23-,29+,30-/m1/s1" ; chebi:inchikey "DVGPQCDULGSEFB-ZDEDIGJLSA-N" ; chebi:mass "530.656" ; chebi:monoisotopicmass "530.27807" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101962" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13323" . obo:CHEBI_101963 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C24H23F3N2O6" ; chebi:inchi "InChI=1S/C24H23F3N2O6/c1-29-18-7-6-16(11-21(30)31)35-20(18)12-34-19-8-5-15(10-17(19)23(29)33)28-22(32)13-3-2-4-14(9-13)24(25,26)27/h2-5,8-10,16,18,20H,6-7,11-12H2,1H3,(H,28,32)(H,30,31)/t16-,18-,20+/m0/s1" ; chebi:inchikey "MPULVBUDJGIXBK-XKGZKEIXSA-N" ; chebi:mass "492.445" ; chebi:monoisotopicmass "492.15082" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101963" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_101964 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-39-29(21)18-33(3)31(37)32-27-15-9-10-16-28(27)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22+,29+/m1/s1" ; chebi:inchikey "ONXKQUJAHGZTDG-BXOOBUKZSA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC=C4OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101964" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13325" . obo:CHEBI_101965 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H29N3O4" ; chebi:inchi "InChI=1S/C23H29N3O4/c1-2-24-21(28)20-17(12-27)16-11-25-18(19(16)26(20)22(29)14-7-8-14)10-9-15(23(25)30)13-5-3-4-6-13/h5,9-10,14,16-17,19-20,27H,2-4,6-8,11-12H2,1H3,(H,24,28)/t16-,17-,19+,20-/m0/s1" ; chebi:inchikey "NWUADCREYHZISA-XEYPJELSSA-N" ; chebi:mass "411.495" ; chebi:monoisotopicmass "411.21581" ; chebi:smiles "CCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@@H]2N1C(=O)C5CC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101965" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-1-[cyclopropyl(oxo)methyl]-N-ethyl-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101966 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C29H30N4O4" ; chebi:inchi "InChI=1S/C29H30N4O4/c1-2-25(35)33-24-15-32-23(8-7-21(29(32)37)17-9-11-30-12-10-17)27(33)26(22(24)16-34)28(36)31-20-13-18-5-3-4-6-19(18)14-20/h3-12,20,22,24,26-27,34H,2,13-16H2,1H3,(H,31,36)/t22-,24-,26+,27+/m1/s1" ; chebi:inchikey "SUYOEXJQLWDMBI-CIOIWQPASA-N" ; chebi:mass "498.574" ; chebi:monoisotopicmass "498.22671" ; chebi:smiles "CCC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101966" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13327" . obo:CHEBI_101967 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H38N4O3" ; chebi:inchi "InChI=1S/C32H38N4O3/c1-22-17-36(23(2)20-37)32(38)31-30(27-13-7-8-14-28(27)35(31)4)26-12-6-5-11-25(26)21-39-29(22)19-34(3)18-24-10-9-15-33-16-24/h5-16,22-23,29,37H,17-21H2,1-4H3/t22-,23-,29-/m0/s1" ; chebi:inchikey "RPGWXCDGQSLPTH-BOSRLCDASA-N" ; chebi:mass "526.670" ; chebi:monoisotopicmass "526.29439" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)CC4=CN=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101967" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13328" . obo:CHEBI_101968 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H25FN4O5" ; chebi:inchi "InChI=1S/C24H25FN4O5/c25-18-4-2-1-3-17(18)20-12-29(28-27-20)10-9-16-6-7-19(23(13-30)34-16)26-24(31)15-5-8-21-22(11-15)33-14-32-21/h1-5,8,11-12,16,19,23,30H,6-7,9-10,13-14H2,(H,26,31)/t16-,19-,23-/m0/s1" ; chebi:inchikey "RQZDEGSLOUOYBH-NVVBAYIOSA-N" ; chebi:mass "468.478" ; chebi:monoisotopicmass "468.18090" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=C3F)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101968" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101969 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H33N5O5" ; chebi:inchi "InChI=1S/C26H33N5O5/c32-20-16-31(26(34)22-15-27-8-9-28-22)23-7-6-21(36-24(23)18-35-17-20)14-25(33)30-12-10-29(11-13-30)19-4-2-1-3-5-19/h1-5,8-9,15,20-21,23-24,32H,6-7,10-14,16-18H2/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "LCHNJAZNAXXEPD-ZQRMPTRQSA-N" ; chebi:mass "495.572" ; chebi:monoisotopicmass "495.24817" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)C3=NC=CN=C3)O)O[C@@H]1CC(=O)N4CCN(CC4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101969" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_10197 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28383 ; owl:deprecated true . obo:CHEBI_101970 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H28N2O6" ; chebi:inchi "InChI=1S/C24H28N2O6/c1-26(2)15-4-6-19-17(8-15)18-9-16(31-22(12-27)24(18)32-19)10-23(28)25-11-14-3-5-20-21(7-14)30-13-29-20/h3-8,16,18,22,24,27H,9-13H2,1-2H3,(H,25,28)/t16-,18+,22-,24-/m0/s1" ; chebi:inchikey "XORJDKZTELKQNH-YDGOEMPPSA-N" ; chebi:mass "440.490" ; chebi:monoisotopicmass "440.19474" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101970" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_101971 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C21H21F2N3O4" ; chebi:inchi "InChI=1S/C21H21F2N3O4/c22-14-7-13(8-15(23)9-14)11-25-20(28)10-16-4-5-17(19(12-27)30-16)26-21(29)18-3-1-2-6-24-18/h1-9,16-17,19,27H,10-12H2,(H,25,28)(H,26,29)/t16-,17+,19+/m0/s1" ; chebi:inchikey "UVJMALWFIRFJAR-YQVWRLOYSA-N" ; chebi:mass "417.407" ; chebi:monoisotopicmass "417.15001" ; chebi:smiles "C1=CC=NC(=C1)C(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC(=C3)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101971" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide" . obo:CHEBI_101972 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H32N2O7S" ; chebi:inchi "InChI=1S/C24H32N2O7S/c1-17(13-26(18(2)15-27)34(29,30)20-8-6-5-7-9-20)23(31-4)14-25(3)24(28)19-10-11-21-22(12-19)33-16-32-21/h5-12,17-18,23,27H,13-16H2,1-4H3/t17-,18+,23-/m1/s1" ; chebi:inchikey "ADONDIFMYIEKMI-IEGUWTFLSA-N" ; chebi:mass "492.587" ; chebi:monoisotopicmass "492.19302" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101972" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101973 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C21H25F2N3O4S" ; chebi:inchi "InChI=1S/C21H25F2N3O4S/c22-14-5-13(6-15(23)7-14)9-26-10-16(27)11-29-12-19-18(26)2-1-17(30-19)8-20(28)25-21-24-3-4-31-21/h3-7,16-19,27H,1-2,8-12H2,(H,24,25,28)/t16-,17-,18-,19+/m0/s1" ; chebi:inchikey "HLMLEGKKEQKEEG-CADBVGFASA-N" ; chebi:mass "453.505" ; chebi:monoisotopicmass "453.15338" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=CC(=CC(=C3)F)F)O)O[C@@H]1CC(=O)NC4=NC=CS4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101973" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide" . obo:CHEBI_101974 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H32N2O8" ; chebi:inchi "InChI=1S/C28H32N2O8/c31-14-25-27-21(20-10-18(2-4-22(20)38-27)30-28(33)17-5-7-34-8-6-17)11-19(37-25)12-26(32)29-13-16-1-3-23-24(9-16)36-15-35-23/h1-4,9-10,17,19,21,25,27,31H,5-8,11-15H2,(H,29,32)(H,30,33)/t19-,21-,25-,27+/m1/s1" ; chebi:inchikey "MOISLORHFJLABX-HXMVMFLPSA-N" ; chebi:mass "524.563" ; chebi:monoisotopicmass "524.21587" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101974" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101975 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H36N4O4" ; chebi:inchi "InChI=1S/C27H36N4O4/c1-2-30-23-17-31-22(10-9-20(27(31)34)19-7-4-3-5-8-19)25(30)24(21(23)18-32)26(33)28-11-6-12-29-13-15-35-16-14-29/h3-5,7-10,21,23-25,32H,2,6,11-18H2,1H3,(H,28,33)/t21-,23-,24+,25+/m1/s1" ; chebi:inchikey "VXNMHMGWLBIVRP-VGCGRUFVSA-N" ; chebi:mass "480.600" ; chebi:monoisotopicmass "480.27366" ; chebi:smiles "CCN1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101975" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13336" . obo:CHEBI_101976 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-25(2)22(27)12-16-11-19-18-10-14(4-9-20(18)32-23(19)21(13-26)31-16)24-33(28,29)17-7-5-15(30-3)6-8-17/h4-10,16,19,21,23-24,26H,11-13H2,1-3H3/t16-,19+,21-,23-/m1/s1" ; chebi:inchikey "GJVLYDQXVFQAHZ-LQOJQYNMSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101976" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide" . obo:CHEBI_101977 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C33H40N2O5" ; chebi:inchi "InChI=1S/C33H40N2O5/c1-23-18-35(24(2)21-36)33(37)29-14-7-6-13-28(29)27-12-5-4-10-26(27)22-40-31(23)20-34(3)19-25-11-8-15-30-32(25)39-17-9-16-38-30/h4-8,10-15,23-24,31,36H,9,16-22H2,1-3H3/t23-,24+,31-/m1/s1" ; chebi:inchikey "MEBNTFIGGVDNJI-ULPIOCOXSA-N" ; chebi:mass "544.682" ; chebi:monoisotopicmass "544.29372" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=C5C(=CC=C4)OCCCO5)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101977" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13338" . obo:CHEBI_101978 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H32N2O7S" ; chebi:inchi "InChI=1S/C29H32N2O7S/c1-36-21-8-5-9-23(15-21)39(34,35)31-20-10-11-26-24(14-20)25-16-22(37-27(18-32)29(25)38-26)17-28(33)30-13-12-19-6-3-2-4-7-19/h2-11,14-15,22,25,27,29,31-32H,12-13,16-18H2,1H3,(H,30,33)/t22-,25+,27+,29-/m1/s1" ; chebi:inchikey "AJAMEWYBAUQISK-CMRYXKCBSA-N" ; chebi:mass "552.641" ; chebi:monoisotopicmass "552.19302" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101978" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_101979 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33N3O5S" ; chebi:inchi "InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-38-29(21)18-32(3)39(36,37)25-11-8-9-23(15-25)16-31/h4-15,21-22,29,34H,17-20H2,1-3H3/t21-,22-,29+/m0/s1" ; chebi:inchikey "RWOMJVAVZPFCIF-IHMCZWCLSA-N" ; chebi:mass "547.667" ; chebi:monoisotopicmass "547.21409" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101979" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13340" . obo:CHEBI_10198 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18195 ; owl:deprecated true . obo:CHEBI_101980 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32Cl2N2O4S" ; chebi:inchi "InChI=1S/C23H32Cl2N2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)25)23(31-4)15-26(3)32(29,30)21-11-9-20(24)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18-,23-/m1/s1" ; chebi:inchikey "JYNGQINEBKOLSY-PMAPCBKXSA-N" ; chebi:mass "503.484" ; chebi:monoisotopicmass "502.14598" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101980" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_101981 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C21H28Cl2N2O6" ; chebi:inchi "InChI=1S/C21H28Cl2N2O6/c1-29-5-4-24-20(27)9-17-2-3-18-19(31-17)12-30-11-16(26)10-25(18)21(28)13-6-14(22)8-15(23)7-13/h6-8,16-19,26H,2-5,9-12H2,1H3,(H,24,27)/t16-,17+,18-,19+/m1/s1" ; chebi:inchikey "GXFSXISHSMAVNQ-HCXYKTFWSA-N" ; chebi:mass "475.364" ; chebi:monoisotopicmass "474.13244" ; chebi:smiles "COCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101981" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101982 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H27N3O2" ; chebi:inchi "InChI=1S/C21H27N3O2/c1-2-12-23-21(26)24-18(13-22)20(19(24)14-25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h6,8-11,18-20,25H,2-5,7,12,14H2,1H3,(H,23,26)/t18-,19-,20+/m0/s1" ; chebi:inchikey "BSUDBHASFVKNIG-SLFFLAALSA-N" ; chebi:mass "353.459" ; chebi:monoisotopicmass "353.21033" ; chebi:smiles "CCCNC(=O)N1[C@H]([C@@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CCCCC3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101982" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide" . obo:CHEBI_101983 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25N3O5" ; chebi:inchi "InChI=1S/C18H25N3O5/c22-12-16-14(20-18(24)15-3-1-2-6-19-15)5-4-13(26-16)11-17(23)21-7-9-25-10-8-21/h1-3,6,13-14,16,22H,4-5,7-12H2,(H,20,24)/t13-,14+,16+/m0/s1" ; chebi:inchikey "QWCXAENNPFGWBU-SQWLQELKSA-N" ; chebi:mass "363.409" ; chebi:monoisotopicmass "363.17942" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101983" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_101984 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H32N4O6" ; chebi:inchi "InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16-,17-,18+/m0/s1" ; chebi:inchikey "XOXZVIQHUYDNGA-XLAORIBOSA-N" ; chebi:mass "436.503" ; chebi:monoisotopicmass "436.23218" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4CC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101984" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101985 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33FN2O5S" ; chebi:inchi "InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-37-27(20)17-31(3)38(35,36)28-15-9-8-14-26(28)30/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21-,27-/m1/s1" ; chebi:inchikey "QWRJLEHIBFFHOL-LGVUCKNBSA-N" ; chebi:mass "540.648" ; chebi:monoisotopicmass "540.20942" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101985" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13346" . obo:CHEBI_101986 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H37N3O6" ; chebi:inchi "InChI=1S/C29H37N3O6/c1-18-13-32(14-20-5-6-20)19(2)16-36-24-10-8-22(12-23(24)29(34)31(3)15-27(18)35-4)30-28(33)21-7-9-25-26(11-21)38-17-37-25/h7-12,18-20,27H,5-6,13-17H2,1-4H3,(H,30,33)/t18-,19-,27+/m0/s1" ; chebi:inchikey "KBKSWHGSXCIXAL-RWYJCYHVSA-N" ; chebi:mass "523.622" ; chebi:monoisotopicmass "523.26824" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C)CC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101986" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101987 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H27FN2O5S" ; chebi:inchi "InChI=1S/C20H27FN2O5S/c21-14-6-9-17(10-7-14)29(26,27)23-18-11-8-16(28-19(18)13-24)12-20(25)22-15-4-2-1-3-5-15/h6-11,15-16,18-19,23-24H,1-5,12-13H2,(H,22,25)/t16-,18+,19-/m1/s1" ; chebi:inchikey "VZTWMEPVNSFWIB-NZSAHSFTSA-N" ; chebi:mass "426.504" ; chebi:monoisotopicmass "426.16247" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101987" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-cyclohexyl-2-[(2S,3S,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101988 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H40FN3O5" ; chebi:inchi "InChI=1S/C30H40FN3O5/c1-20-16-34(17-22-11-13-38-14-12-22)21(2)19-39-27-10-9-23(32-29(35)24-7-5-6-8-26(24)31)15-25(27)30(36)33(3)18-28(20)37-4/h5-10,15,20-22,28H,11-14,16-19H2,1-4H3,(H,32,35)/t20-,21-,28+/m0/s1" ; chebi:inchikey "PDYFFKDIVHOONQ-YHGPEZAFSA-N" ; chebi:mass "541.655" ; chebi:monoisotopicmass "541.29520" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)CC4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101988" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101989 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C23H28N2O4" ; chebi:inchi "InChI=1S/C23H28N2O4/c26-19-13-24-21-11-10-20(29-22(21)15-28-14-19)12-23(27)25-18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-22,24,26H,10-15H2,(H,25,27)/t19-,20-,21+,22-/m0/s1" ; chebi:inchikey "UTTUQCGEIXLGEI-KJJMTIBFSA-N" ; chebi:mass "396.480" ; chebi:monoisotopicmass "396.20491" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101989" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_10199 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18234 ; owl:deprecated true . obo:CHEBI_101990 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N5O5S" ; chebi:inchi "InChI=1S/C24H37N5O5S/c1-7-10-29-12-17(2)22(33-6)13-28(5)24(30)20-9-8-19(11-21(20)34-15-18(29)3)26-35(31,32)23-14-27(4)16-25-23/h8-9,11,14,16-18,22,26H,7,10,12-13,15H2,1-6H3/t17-,18-,22+/m1/s1" ; chebi:inchikey "LWIIWTGMFNHRDM-HMFYCAOWSA-N" ; chebi:mass "507.648" ; chebi:monoisotopicmass "507.25154" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101990" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_101991 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27FN4O4S" ; chebi:inchi "InChI=1S/C23H27FN4O4S/c24-20-8-4-5-9-23(20)33(30,31)26-21-11-10-19(32-22(21)16-29)12-13-28-15-18(25-27-28)14-17-6-2-1-3-7-17/h1-9,15,19,21-22,26,29H,10-14,16H2/t19-,21-,22+/m1/s1" ; chebi:inchikey "INJNPRWYOQJIJD-FCEUIQTBSA-N" ; chebi:mass "474.550" ; chebi:monoisotopicmass "474.17370" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NS(=O)(=O)C4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101991" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_101992 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N5O4" ; chebi:inchi "InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18+,23-/m0/s1" ; chebi:inchikey "ZGJMWZDWXNCIBA-IXFSTUDKSA-N" ; chebi:mass "469.577" ; chebi:monoisotopicmass "469.26890" ; chebi:smiles "CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101992" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_101993 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-34-23-5-3-2-4-21(23)29-26(33)30-15-19(31)16-35-17-24-22(30)7-6-20(36-24)14-25(32)28-13-10-18-8-11-27-12-9-18/h2-5,8-9,11-12,19-20,22,24,31H,6-7,10,13-17H2,1H3,(H,28,32)(H,29,33)/t19-,20-,22+,24-/m1/s1" ; chebi:inchikey "YKBSBMDVZJDWJN-ZBJYJBBSSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCCC4=CC=NC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101993" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101994 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C20H27N3O5" ; chebi:inchi "InChI=1S/C20H27N3O5/c1-4-21-19(25)10-14-6-7-16-18(28-14)11-27-17-8-5-13(22-12(2)24)9-15(17)20(26)23(16)3/h5,8-9,14,16,18H,4,6-7,10-11H2,1-3H3,(H,21,25)(H,22,24)/t14-,16+,18-/m0/s1" ; chebi:inchikey "WVVDCAKHEAPTNY-LESCRADOSA-N" ; chebi:mass "389.446" ; chebi:monoisotopicmass "389.19507" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C)C(=O)N2C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101994" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide" . obo:CHEBI_101995 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H24N2O6" ; chebi:inchi "InChI=1S/C22H24N2O6/c1-28-20(26)11-15-10-17-16-9-14(24-22(27)23-13-5-3-2-4-6-13)7-8-18(16)30-21(17)19(12-25)29-15/h2-9,15,17,19,21,25H,10-12H2,1H3,(H2,23,24,27)/t15-,17+,19+,21-/m1/s1" ; chebi:inchikey "BVQWYDMOVFWUGX-ZWVMGRIOSA-N" ; chebi:mass "412.437" ; chebi:monoisotopicmass "412.16344" ; chebi:smiles "COC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101995" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101996 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H41N3O5S" ; chebi:inchi "InChI=1S/C25H41N3O5S/c1-18-14-28(15-20-9-7-6-8-10-20)19(2)17-33-23-13-21(26-34(5,30)31)11-12-22(23)25(29)27(3)16-24(18)32-4/h11-13,18-20,24,26H,6-10,14-17H2,1-5H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "DDFXZAACYDZOLE-YDIMBITNSA-N" ; chebi:mass "495.677" ; chebi:monoisotopicmass "495.27669" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101996" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101997 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H26F2N2O4" ; chebi:inchi "InChI=1S/C23H26F2N2O4/c1-27(2)15-4-6-20-17(8-15)18-9-16(30-21(12-28)23(18)31-20)10-22(29)26-11-13-7-14(24)3-5-19(13)25/h3-8,16,18,21,23,28H,9-12H2,1-2H3,(H,26,29)/t16-,18-,21+,23+/m0/s1" ; chebi:inchikey "PXUWSZVSXCWDJI-JOXJFCDYSA-N" ; chebi:mass "432.461" ; chebi:monoisotopicmass "432.18606" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101997" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101998 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37FN4O4" ; chebi:inchi "InChI=1S/C27H37FN4O4/c1-6-13-32-15-18(2)25(35-5)16-31(4)26(33)21-14-20(11-12-24(21)36-17-19(32)3)29-27(34)30-23-10-8-7-9-22(23)28/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H2,29,30,34)/t18-,19-,25-/m1/s1" ; chebi:inchikey "HTKHLCDDEOIAQO-MPCDZSKCSA-N" ; chebi:mass "500.607" ; chebi:monoisotopicmass "500.27988" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101998" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-fluorophenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101999 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H15FN2O" ; chebi:inchi "InChI=1S/C19H15FN2O/c20-16-4-2-1-3-14(16)8-5-13-6-9-15(10-7-13)19-17(11-21)22-18(19)12-23/h1-4,6-7,9-10,17-19,22-23H,12H2/t17-,18-,19+/m1/s1" ; chebi:inchikey "BQRBXGWYUGGWQF-QRVBRYPASA-N" ; chebi:mass "306.334" ; chebi:monoisotopicmass "306.11684" ; chebi:smiles "C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@H](N[C@@H]3C#N)CO)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101999" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15410 ; owl:deprecated true . obo:CHEBI_1020 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_37012 ; owl:deprecated true . obo:CHEBI_102000 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c30-16-18-20-15-28-19(9-6-10-21(28)31)23(29(20)25(33)17-7-2-1-3-8-17)22(18)24(32)26-11-14-27-12-4-5-13-27/h1-3,6-10,18,20,22-23,30H,4-5,11-16H2,(H,26,32)/t18-,20-,22+,23+/m0/s1" ; chebi:inchikey "PKPWMBUSHHCIMQ-NEKRIBJYSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "C1CCN(C1)CCNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3C(=O)C5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102000" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13361" . obo:CHEBI_102001 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C19H26N2O6" ; chebi:inchi "InChI=1S/C19H26N2O6/c22-13-8-20-15-3-2-14(27-18(15)10-24-9-13)6-19(23)21-7-12-1-4-16-17(5-12)26-11-25-16/h1,4-5,13-15,18,20,22H,2-3,6-11H2,(H,21,23)/t13-,14-,15-,18+/m0/s1" ; chebi:inchikey "YFRMSEXFMHDWES-YRBFXIGRSA-N" ; chebi:mass "378.420" ; chebi:monoisotopicmass "378.17909" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)NCC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102001" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102002 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O7" ; chebi:inchi "InChI=1S/C28H34N2O7/c1-34-23-5-3-2-4-18(23)15-29-26(32)14-20-13-22-21-12-19(30-28(33)17-8-10-35-11-9-17)6-7-24(21)37-27(22)25(16-31)36-20/h2-7,12,17,20,22,25,27,31H,8-11,13-16H2,1H3,(H,29,32)(H,30,33)/t20-,22-,25-,27+/m0/s1" ; chebi:inchikey "FSAONXZLMNAVLZ-YSDDDFLKSA-N" ; chebi:mass "510.580" ; chebi:monoisotopicmass "510.23660" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102002" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102003 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O7" ; chebi:inchi "InChI=1S/C23H34N4O7/c28-14-21-18(26-23(30)25-16-2-5-19-20(12-16)33-15-32-19)4-3-17(34-21)13-22(29)24-6-1-7-27-8-10-31-11-9-27/h2,5,12,17-18,21,28H,1,3-4,6-11,13-15H2,(H,24,29)(H2,25,26,30)/t17-,18+,21-/m1/s1" ; chebi:inchikey "WGFFUWNETOGMCB-LVCYWYKZSA-N" ; chebi:mass "478.540" ; chebi:monoisotopicmass "478.24275" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102003" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_102004 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H21FN2O3" ; chebi:inchi "InChI=1S/C15H21FN2O3/c16-12-4-2-1-3-11(12)15(20)18-13-6-5-10(7-8-17)21-14(13)9-19/h1-4,10,13-14,19H,5-9,17H2,(H,18,20)/t10-,13-,14-/m0/s1" ; chebi:inchikey "DUQQDWAUZUWJHX-BPNCWPANSA-N" ; chebi:mass "296.338" ; chebi:monoisotopicmass "296.15362" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCN)CO)NC(=O)C2=CC=CC=C2F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102004" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide" . obo:CHEBI_102005 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H16N2O4" ; chebi:inchi "InChI=1S/C19H16N2O4/c20-9-14-18(12-4-2-1-3-5-12)15(10-22)21(14)19(23)13-6-7-16-17(8-13)25-11-24-16/h1-8,14-15,18,22H,10-11H2/t14-,15+,18-/m0/s1" ; chebi:inchikey "NUSFKYNBTAYYBW-DAYGRLMNSA-N" ; chebi:mass "336.342" ; chebi:monoisotopicmass "336.11101" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)C(=O)N3[C@@H]([C@H]([C@@H]3C#N)C4=CC=CC=C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102005" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_102006 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H35N3O6S" ; chebi:inchi "InChI=1S/C23H35N3O6S/c1-17-5-3-4-6-22(17)33(29,30)26-14-18(27)15-31-16-21-20(26)8-7-19(32-21)13-23(28)25-11-9-24(2)10-12-25/h3-6,18-21,27H,7-16H2,1-2H3/t18-,19+,20+,21-/m1/s1" ; chebi:inchikey "AEYAMMVRWLJFNH-IVAOSVALSA-N" ; chebi:mass "481.607" ; chebi:monoisotopicmass "481.22466" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N4CCN(CC4)C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102006" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_102007 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H26FN3O6S" ; chebi:inchi "InChI=1S/C26H26FN3O6S/c27-17-3-6-20(7-4-17)37(33,34)30-18-5-8-23-21(10-18)22-11-19(35-24(15-31)26(22)36-23)12-25(32)29-14-16-2-1-9-28-13-16/h1-10,13,19,22,24,26,30-31H,11-12,14-15H2,(H,29,32)/t19-,22-,24-,26+/m0/s1" ; chebi:inchikey "MZNDQAVBBCTOIA-CLKGCZJISA-N" ; chebi:mass "527.567" ; chebi:monoisotopicmass "527.15263" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102007" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_102008 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H32N2O5" ; chebi:inchi "InChI=1S/C24H32N2O5/c27-13-21-23-19(11-17(30-21)12-22(28)25-15-6-1-2-7-15)18-10-16(8-9-20(18)31-23)26-24(29)14-4-3-5-14/h8-10,14-15,17,19,21,23,27H,1-7,11-13H2,(H,25,28)(H,26,29)/t17-,19+,21+,23-/m1/s1" ; chebi:inchikey "MOMUNQNAFOIKEQ-QXPQREGVSA-N" ; chebi:mass "428.522" ; chebi:monoisotopicmass "428.23112" ; chebi:smiles "C1CCC(C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102008" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-(cyclopentylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_102009 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35FN2O6S" ; chebi:inchi "InChI=1S/C24H35FN2O6S/c25-18-6-9-21(10-7-18)34(30,31)27-14-19(28)15-32-16-23-22(27)11-8-20(33-23)12-24(29)26-13-17-4-2-1-3-5-17/h6-7,9-10,17,19-20,22-23,28H,1-5,8,11-16H2,(H,26,29)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "CDWYTZLAFHIRLQ-YXPKMTABSA-N" ; chebi:mass "498.610" ; chebi:monoisotopicmass "498.21999" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3S(=O)(=O)C4=CC=C(C=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102009" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_10201 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18283 ; owl:deprecated true . obo:CHEBI_102010 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c33-16-27-29-23(14-21(38-27)15-28(34)31-11-10-18-4-2-1-3-5-18)22-13-20(7-9-24(22)39-29)32-30(35)19-6-8-25-26(12-19)37-17-36-25/h1-9,12-13,21,23,27,29,33H,10-11,14-17H2,(H,31,34)(H,32,35)/t21-,23-,27-,29+/m1/s1" ; chebi:inchikey "WERZBRNJFLNQTM-HMISVTBFSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCCC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102010" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102011 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26N4O5S" ; chebi:inchi "InChI=1S/C20H26N4O5S/c1-14-3-2-4-16(11-14)30(27,28)24-17-6-5-15(29-19(17)13-25)7-8-23-20(26)18-12-21-9-10-22-18/h2-4,9-12,15,17,19,24-25H,5-8,13H2,1H3,(H,23,26)/t15-,17+,19-/m0/s1" ; chebi:inchikey "LUVVHBIYDBULDN-WDYCEAGBSA-N" ; chebi:mass "434.511" ; chebi:monoisotopicmass "434.16239" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCNC(=O)C3=NC=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102011" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_102012 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H34N2O6" ; chebi:inchi "InChI=1S/C25H34N2O6/c28-15-22-24-20(13-18(32-22)14-23(29)27-8-2-1-3-9-27)19-12-17(4-5-21(19)33-24)26-25(30)16-6-10-31-11-7-16/h4-5,12,16,18,20,22,24,28H,1-3,6-11,13-15H2,(H,26,30)/t18-,20+,22+,24-/m1/s1" ; chebi:inchikey "SADUCKDCBXEUGG-HJBWUJCXSA-N" ; chebi:mass "458.548" ; chebi:monoisotopicmass "458.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102012" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102013 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21-,22+,23+/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-FFLNWOAESA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102013" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13374" . obo:CHEBI_102014 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-15-12-25(3)16(2)14-30-20-10-9-18(24-22(27)17-7-6-8-17)11-19(20)23(28)26(4)13-21(15)29-5/h9-11,15-17,21H,6-8,12-14H2,1-5H3,(H,24,27)/t15-,16-,21+/m1/s1" ; chebi:inchikey "IMTXHMNNEPVREU-ZOCZFRKYSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102014" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_102015 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C19H27N3O5" ; chebi:inchi "InChI=1S/C19H27N3O5/c1-21(2)18(24)9-15-3-4-16-17(27-15)12-26-11-14(23)10-22(16)19(25)13-5-7-20-8-6-13/h5-8,14-17,23H,3-4,9-12H2,1-2H3/t14-,15+,16+,17-/m0/s1" ; chebi:inchikey "JDHZCDHPHAWVKT-HZMVEIRTSA-N" ; chebi:mass "377.436" ; chebi:monoisotopicmass "377.19507" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2C(=O)C3=CC=NC=C3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102015" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_102016 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N5O5S" ; chebi:inchi "InChI=1S/C25H37N5O5S/c1-17-11-30(12-19-6-7-19)18(2)15-35-22-9-8-20(27-36(32,33)24-14-28(3)16-26-24)10-21(22)25(31)29(4)13-23(17)34-5/h8-10,14,16-19,23,27H,6-7,11-13,15H2,1-5H3/t17-,18-,23+/m1/s1" ; chebi:inchikey "QARSUPNDRVVANH-PNCHPQGNSA-N" ; chebi:mass "519.659" ; chebi:monoisotopicmass "519.25154" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102016" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_102017 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H34FN3O3S" ; chebi:inchi "InChI=1S/C29H34FN3O3S/c1-5-13-31-28(35)24-17-22-18-33(37(36)29(2,3)4)25(12-14-34)26(22)27(32-24)21-10-6-8-19(15-21)20-9-7-11-23(30)16-20/h6-11,15-17,25,34H,5,12-14,18H2,1-4H3,(H,31,35)/t25-,37-/m0/s1" ; chebi:inchikey "FSCHPCZBUZXFPL-RSUXDYMJSA-N" ; chebi:mass "523.664" ; chebi:monoisotopicmass "523.23049" ; chebi:smiles "CCCNC(=O)C1=NC(=C2[C@@H](N(CC2=C1)[S@@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102017" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102018 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-6-9-27-22(32)30-11-15(2)20(35-5)12-29(4)21(31)18-8-7-17(10-19(18)36-13-16(30)3)28-37(33,34)14-23(24,25)26/h7-8,10,15-16,20,28H,6,9,11-14H2,1-5H3,(H,27,32)/t15-,16-,20-/m1/s1" ; chebi:inchikey "LVUSIZZVUUASSP-JXXFODFXSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "CCCNC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102018" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_102019 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C16H24N2O4" ; chebi:inchi "InChI=1S/C16H24N2O4/c19-9-14-13(18-16(21)10-4-5-10)7-6-12(22-14)8-15(20)17-11-2-1-3-11/h6-7,10-14,19H,1-5,8-9H2,(H,17,20)(H,18,21)/t12-,13-,14+/m0/s1" ; chebi:inchikey "RGLUKSSVDYQFDC-MELADBBJSA-N" ; chebi:mass "308.373" ; chebi:monoisotopicmass "308.17361" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102019" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-6-[2-(cyclobutylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide" . obo:CHEBI_10202 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16551 ; owl:deprecated true . obo:CHEBI_102020 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H19FN2O3S" ; chebi:inchi "InChI=1S/C21H19FN2O3S/c1-2-28(26,27)24-19(13-23)21(20(24)14-25)17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)22/h3-6,8-9,11-12,19-21,25H,2,14H2,1H3/t19-,20+,21+/m1/s1" ; chebi:inchikey "UCQARJGLVBPITC-HKBOAZHASA-N" ; chebi:mass "398.452" ; chebi:monoisotopicmass "398.11004" ; chebi:smiles "CCS(=O)(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CC3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102020" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102021 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O5" ; chebi:inchi "InChI=1S/C23H35N3O5/c1-15-12-24-16(2)14-31-20-11-18(25-22(27)17-7-9-30-10-8-17)5-6-19(20)23(28)26(3)13-21(15)29-4/h5-6,11,15-17,21,24H,7-10,12-14H2,1-4H3,(H,25,27)/t15-,16-,21-/m1/s1" ; chebi:inchikey "BIFUFKYMXIZDEA-WHSLLNHNSA-N" ; chebi:mass "433.542" ; chebi:monoisotopicmass "433.25767" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102021" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_102022 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H31N3O6" ; chebi:inchi "InChI=1S/C21H31N3O6/c1-24(2)11-20(27)23-13-4-5-17-15(8-13)16-9-14(10-19(26)22-6-7-28-3)29-18(12-25)21(16)30-17/h4-5,8,14,16,18,21,25H,6-7,9-12H2,1-3H3,(H,22,26)(H,23,27)/t14-,16-,18+,21+/m0/s1" ; chebi:inchikey "ZSBYESKXZOGBOW-XYPVVTQSSA-N" ; chebi:mass "421.488" ; chebi:monoisotopicmass "421.22129" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102022" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102023 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21+,22-,23-/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-RETDLFGGSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102023" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13384" . obo:CHEBI_102024 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H32FN5O5" ; chebi:inchi "InChI=1S/C30H32FN5O5/c1-36-25-8-7-21(17-28(37)33-15-12-19-10-13-32-14-11-19)41-27(25)18-40-26-9-6-20(16-22(26)29(36)38)34-30(39)35-24-5-3-2-4-23(24)31/h2-6,9-11,13-14,16,21,25,27H,7-8,12,15,17-18H2,1H3,(H,33,37)(H2,34,35,39)/t21-,25+,27-/m1/s1" ; chebi:inchikey "KLEFMXRWIUTPPC-NKPLSRDGSA-N" ; chebi:mass "561.605" ; chebi:monoisotopicmass "561.23875" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4F)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102024" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102025 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C16H17N3OS" ; chebi:inchi "InChI=1S/C16H17N3OS/c1-10-11(2)21-16(18-10)19-13(8-17)15(14(19)9-20)12-6-4-3-5-7-12/h3-7,13-15,20H,9H2,1-2H3/t13-,14-,15-/m0/s1" ; chebi:inchikey "AVGQIEGBBUBHIP-KKUMJFAQSA-N" ; chebi:mass "299.392" ; chebi:monoisotopicmass "299.10923" ; chebi:smiles "CC1=C(SC(=N1)N2[C@H]([C@H]([C@@H]2C#N)C3=CC=CC=C3)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102025" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-1-(4,5-dimethyl-2-thiazolyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_102026 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b185 rdf:type owl:Restriction . obo:CHEBI_102026 rdfs:subClassOf _:b185 . _:b185 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_102026 chebi:charge "0" ; chebi:formula "C25H28FN3O3" ; chebi:inchi "InChI=1S/C25H28FN3O3/c26-17-8-6-15(7-9-17)12-27-24(31)22-19(14-30)20-13-29-21(23(22)28-20)11-10-18(25(29)32)16-4-2-1-3-5-16/h4,6-11,19-20,22-23,28,30H,1-3,5,12-14H2,(H,27,31)/t19-,20-,22+,23+/m0/s1" ; chebi:inchikey "NDSDOOPKNRYURC-JFJDKTSWSA-N" ; chebi:mass "437.507" ; chebi:monoisotopicmass "437.21147" ; chebi:smiles "C1CCC(=CC1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4)CN3C2=O)CO)C(=O)NCC5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102026" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13387" . obo:CHEBI_102027 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c1-2-9-26-22(30)12-15-11-17-16-10-14(7-8-20(16)33-23(17)21(13-29)32-15)27-24(31)28-19-6-4-3-5-18(19)25/h3-8,10,15,17,21,23,29H,2,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,17+,21-,23-/m1/s1" ; chebi:inchikey "KFOACEMMMUKWEO-AIVLZAJPSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "CCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102027" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_102028 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H35N5O6" ; chebi:inchi "InChI=1S/C27H35N5O6/c1-16-21(14-31(2)30-16)29-25(33)13-19-5-6-22-24(38-19)15-37-23-7-4-18(12-20(23)27(35)32(22)3)28-26(34)17-8-10-36-11-9-17/h4,7,12,14,17,19,22,24H,5-6,8-11,13,15H2,1-3H3,(H,28,34)(H,29,33)/t19-,22-,24-/m0/s1" ; chebi:inchikey "KFDLRFOLOVMTJG-APTRMMRNSA-N" ; chebi:mass "525.598" ; chebi:monoisotopicmass "525.25873" ; chebi:smiles "CC1=NN(C=C1NC(=O)C[C@@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102028" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102029 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23230 ; rdfs:subClassOf obo:CHEBI_35624 ; rdfs:subClassOf obo:CHEBI_37143 ; rdfs:subClassOf obo:CHEBI_37948 ; rdfs:subClassOf obo:CHEBI_55370 . _:b186 rdf:type owl:Restriction . obo:CHEBI_102029 rdfs:subClassOf _:b186 . _:b186 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_22586 . _:b187 rdf:type owl:Restriction . obo:CHEBI_102029 rdfs:subClassOf _:b187 . _:b187 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_48550 . obo:CHEBI_102029 obo:IAO_0000115 "An azaspiro compound having a monofluoro-substituted chromane skeleton spiro-linked to an imidazolidinedione ring." ; chebi:charge "0" ; chebi:formula "C11H9FN2O3" ; chebi:inchi "InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1" ; chebi:inchikey "LXANPKRCLVQAOG-NSHDSACASA-N" ; chebi:mass "236.19920" ; chebi:monoisotopicmass "236.05972" ; chebi:smiles "Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1" ; oboInOwl:hasAlternativeId "CHEBI:45392" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102029" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "sorbinil" . obo:CHEBI_10203 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15802 ; owl:deprecated true . obo:CHEBI_102030 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_102167 . _:b188 rdf:type owl:Restriction . obo:CHEBI_102030 rdfs:subClassOf _:b188 . _:b188 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_102131 . obo:CHEBI_102030 obo:IAO_0000115 "An N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine that is the (R)-enantiomer of talarozole. The racemate is used for the treatment of keratinization disorders, psoriasis and acne." ; chebi:charge "0" ; chebi:formula "C21H23N5S" ; chebi:inchi "InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)/t20-/m1/s1" ; chebi:inchikey "SNFYYXUGUBUECJ-HXUWFJFHSA-N" ; chebi:mass "377.508" ; chebi:monoisotopicmass "377.16742" ; chebi:smiles "C1=C(C=CC(=C1)[C@@H](C(CC)CC)N2C=NC=N2)NC=3SC4=C(N3)C=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102030" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(R)-talarozole" . obo:CHEBI_102031 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H39N5O3S" ; chebi:inchi "InChI=1S/C33H39N5O3S/c1-33(2,3)42(41)38-22-27-20-28(32(40)35-13-16-37-14-4-5-15-37)36-31(30(27)29(38)12-17-39)26-11-7-10-25(19-26)24-9-6-8-23(18-24)21-34/h6-11,18-20,29,39H,4-5,12-17,22H2,1-3H3,(H,35,40)/t29-,42-/m1/s1" ; chebi:inchikey "RNFNRXMTASYMQO-LIIBOVGXSA-N" ; chebi:mass "585.762" ; chebi:monoisotopicmass "585.27736" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCCN5CCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102031" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102032 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H24Cl2FN3O4" ; chebi:inchi "InChI=1S/C22H24Cl2FN3O4/c23-17-7-5-15(11-18(17)24)27-22(31)28-19-8-6-16(32-20(19)12-29)9-10-26-21(30)13-1-3-14(25)4-2-13/h1-5,7,11,16,19-20,29H,6,8-10,12H2,(H,26,30)(H2,27,28,31)/t16-,19+,20+/m0/s1" ; chebi:inchikey "ONEMPWMAPHHZJV-PWIZWCRZSA-N" ; chebi:mass "484.349" ; chebi:monoisotopicmass "483.11279" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCNC(=O)C2=CC=C(C=C2)F)CO)NC(=O)NC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102032" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6S)-5-[[(3,4-dichloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-fluorobenzamide" . obo:CHEBI_102033 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27FN4O4S" ; chebi:inchi "InChI=1S/C23H27FN4O4S/c24-20-8-4-5-9-23(20)33(30,31)26-21-11-10-19(32-22(21)16-29)12-13-28-15-18(25-27-28)14-17-6-2-1-3-7-17/h1-9,15,19,21-22,26,29H,10-14,16H2/t19-,21-,22+/m0/s1" ; chebi:inchikey "INJNPRWYOQJIJD-ILWGZMRPSA-N" ; chebi:mass "474.550" ; chebi:monoisotopicmass "474.17370" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NS(=O)(=O)C4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102033" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_102034 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C32H30N4O7" ; chebi:inchi "InChI=1S/C32H30N4O7/c1-36-25-9-8-23(14-30(37)34-16-20-4-10-27-28(12-20)42-18-41-27)43-29(25)17-40-26-11-7-22(13-24(26)32(36)39)35-31(38)21-5-2-19(15-33)3-6-21/h2-7,10-13,23,25,29H,8-9,14,16-18H2,1H3,(H,34,37)(H,35,38)/t23-,25+,29-/m1/s1" ; chebi:inchikey "XHIYWAJDGXOPCH-OBZNHSRCSA-N" ; chebi:mass "582.604" ; chebi:monoisotopicmass "582.21145" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C#N)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102034" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide" . obo:CHEBI_102035 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-15-8-9-16-29(28)35(32)4)27-14-7-6-11-24(27)21-42-30(22)19-34(3)43(39,40)26-13-10-12-25(17-26)41-5/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23-,30-/m1/s1" ; chebi:inchikey "ZFRPCBGONKGXGW-IQLGONJTSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102035" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13395" . obo:CHEBI_102036 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27N3O6S" ; chebi:inchi "InChI=1S/C22H27N3O6S/c1-14-6-3-4-8-18(14)32(29,30)25-17-12-24-16(7-5-9-19(24)27)21(25)20(15(17)13-26)22(28)23-10-11-31-2/h3-9,15,17,20-21,26H,10-13H2,1-2H3,(H,23,28)/t15-,17-,20+,21+/m1/s1" ; chebi:inchikey "MTAIFDHMXJWVCS-SLWXAUBPSA-N" ; chebi:mass "461.533" ; chebi:monoisotopicmass "461.16206" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2[C@@H]3CN4C(=O)C=CC=C4[C@H]2[C@H]([C@@H]3CO)C(=O)NCCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102036" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13396" . obo:CHEBI_102037 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_29348 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O4" ; chebi:inchi "InChI=1S/C27H33F3N2O4/c1-18-14-32(19(2)16-33)26(35)23-11-7-6-10-22(23)21-9-5-4-8-20(21)17-36-24(18)15-31(3)25(34)12-13-27(28,29)30/h4-11,18-19,24,33H,12-17H2,1-3H3/t18-,19-,24-/m0/s1" ; chebi:inchikey "VGVIGMMHZQAXDN-JXQFQVJHSA-N" ; chebi:mass "506.558" ; chebi:monoisotopicmass "506.23924" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102037" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13397" . obo:CHEBI_102038 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H38N4O5" ; chebi:inchi "InChI=1S/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20+,26-/m1/s1" ; chebi:inchikey "ZWMNFEZEGHFZOH-BVFVYWQFSA-N" ; chebi:mass "522.637" ; chebi:monoisotopicmass "522.28422" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102038" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea" . obo:CHEBI_102039 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22-,27+,28+/m0/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-SHRQFBHGSA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H]4CCCN4C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102039" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13399" . obo:CHEBI_10204 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_35411 ; owl:deprecated true . obo:CHEBI_102040 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20+,21+,22+/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-ZGFYZEPBSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102040" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13400" . obo:CHEBI_102041 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O4" ; chebi:inchi "InChI=1S/C31H47N3O4/c1-23-19-34(24(2)22-35)31(36)28-18-27(32(4)5)15-16-29(28)38-25(3)12-10-11-17-37-30(23)21-33(6)20-26-13-8-7-9-14-26/h7-9,13-16,18,23-25,30,35H,10-12,17,19-22H2,1-6H3/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "OPCOPDBCCFUTHV-YDXRHMNESA-N" ; chebi:mass "525.724" ; chebi:monoisotopicmass "525.35666" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102041" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_102042 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H31FN4O5" ; chebi:inchi "InChI=1S/C25H31FN4O5/c1-14(2)28-25(34)30-20-12-29-19(8-7-17(24(29)33)15-5-4-6-16(26)11-15)22(30)21(18(20)13-31)23(32)27-9-10-35-3/h4-8,11,14,18,20-22,31H,9-10,12-13H2,1-3H3,(H,27,32)(H,28,34)/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "RKZCTJVPZQLRIW-VXSCBNMQSA-N" ; chebi:mass "486.537" ; chebi:monoisotopicmass "486.22785" ; chebi:smiles "CC(C)NC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)F)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102042" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13402" . obo:CHEBI_102043 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H25F2N5O3" ; chebi:inchi "InChI=1S/C25H25F2N5O3/c1-30(2)25(35)23-19(12-33)18-11-31-21(6-4-17(24(31)34)15-8-28-13-29-9-15)22(18)32(23)10-14-7-16(26)3-5-20(14)27/h3-9,13,18-19,22-23,33H,10-12H2,1-2H3/t18-,19-,22+,23-/m1/s1" ; chebi:inchikey "GNOSXJXTVJBPTF-PJIZGREPSA-N" ; chebi:mass "481.495" ; chebi:monoisotopicmass "481.19255" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CN=CN=C4)[C@H]2N1CC5=C(C=CC(=C5)F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102043" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[(2,5-difluorophenyl)methyl]-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102044 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20-,21+,22-/m0/s1" ; chebi:inchikey "XYLRKRISJMFHFX-DIMUUIPOSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102044" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13404" . obo:CHEBI_102045 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H35N3O5" ; chebi:inchi "InChI=1S/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20+,22-,24-/m1/s1" ; chebi:inchikey "GFIPGJIGSRXJBU-USHXRURQSA-N" ; chebi:mass "457.563" ; chebi:monoisotopicmass "457.25767" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102045" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea" . obo:CHEBI_102046 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O5S" ; chebi:inchi "InChI=1S/C24H33N3O5S/c1-17-13-25-18(2)15-32-22-11-10-20(12-21(22)24(28)27(3)14-23(17)31-4)26-33(29,30)16-19-8-6-5-7-9-19/h5-12,17-18,23,25-26H,13-16H2,1-4H3/t17-,18+,23-/m0/s1" ; chebi:inchikey "ITUDOLAPOXZKHG-IXFSTUDKSA-N" ; chebi:mass "475.603" ; chebi:monoisotopicmass "475.21409" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102046" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide" . obo:CHEBI_102047 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H34ClN3O5S" ; chebi:inchi "InChI=1S/C22H34ClN3O5S/c23-17-5-4-6-19(15-17)32(29,30)25-20-8-7-18(31-21(20)16-27)9-11-24-22(28)10-14-26-12-2-1-3-13-26/h4-6,15,18,20-21,25,27H,1-3,7-14,16H2,(H,24,28)/t18-,20-,21-/m0/s1" ; chebi:inchikey "QYROUQDLUMQXKE-JBACZVJFSA-N" ; chebi:mass "488.042" ; chebi:monoisotopicmass "487.19077" ; chebi:smiles "C1CCN(CC1)CCC(=O)NCC[C@@H]2CC[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC(=CC=C3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102047" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6R)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_102048 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-24-5-3-2-4-17(24)15-30-27(33)14-20-13-23-22-12-19(8-11-25(22)38-28(23)26(16-32)37-20)31-39(34,35)21-9-6-18(29)7-10-21/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23-,26+,28+/m1/s1" ; chebi:inchikey "CRNISVWSFUFTQR-MSUVVHHUSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102048" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_102049 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30FN3O5S" ; chebi:inchi "InChI=1S/C23H30FN3O5S/c1-15-12-25-16(2)14-32-21-9-8-18(11-20(21)23(28)27(3)13-22(15)31-4)26-33(29,30)19-7-5-6-17(24)10-19/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16+,22+/m0/s1" ; chebi:inchikey "FAXXRWNSKSYYIM-WJONJSRFSA-N" ; chebi:mass "479.567" ; chebi:monoisotopicmass "479.18902" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102049" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_10205 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28449 ; owl:deprecated true . obo:CHEBI_102050 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H25N3O5S" ; chebi:inchi "InChI=1S/C21H25N3O5S/c1-13(14-7-4-3-5-8-14)22-21(27)20-16(12-25)15-11-23-17(9-6-10-18(23)26)19(15)24(20)30(2,28)29/h3-10,13,15-16,19-20,25H,11-12H2,1-2H3,(H,22,27)/t13-,15-,16-,19+,20-/m1/s1" ; chebi:inchikey "LURAPRBVZDLHCY-RFXCRVDXSA-N" ; chebi:mass "431.507" ; chebi:monoisotopicmass "431.15149" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2S(=O)(=O)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102050" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1R)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102051 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c1-32-24-8-7-22(16-27(33)30-19-4-3-5-21(14-19)36-2)39-26(24)17-38-25-9-6-20(15-23(25)29(32)35)31-28(34)18-10-12-37-13-11-18/h3-6,9,14-15,18,22,24,26H,7-8,10-13,16-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,24-,26+/m1/s1" ; chebi:inchikey "VRPVHEJOGHTQDQ-NOOIUNMQSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102051" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102052 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16-,18+,19+/m0/s1" ; chebi:inchikey "LYYREMJMDQKNES-IAAVTCLWSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@H]1C(=O)N(C[C@@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102052" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13412" . obo:CHEBI_102053 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c30-15-23-25-21(11-19(34-23)12-24(31)28-14-16-2-1-7-27-13-16)20-10-18(3-4-22(20)35-25)29-26(32)17-5-8-33-9-6-17/h1-4,7,10,13,17,19,21,23,25,30H,5-6,8-9,11-12,14-15H2,(H,28,31)(H,29,32)/t19-,21+,23-,25-/m0/s1" ; chebi:inchikey "UAPJRYKULVRBJS-PYTYSOFPSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102053" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102054 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23+,26+,28-/m1/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-CJCBTBSHSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102054" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102055 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C23H27FN4O5" ; chebi:inchi "InChI=1S/C23H27FN4O5/c24-16-3-1-15(2-4-16)10-27-22(30)9-18-5-6-20-21(33-18)14-32-13-17(29)12-28(20)23(31)19-11-25-7-8-26-19/h1-4,7-8,11,17-18,20-21,29H,5-6,9-10,12-14H2,(H,27,30)/t17-,18+,20-,21+/m1/s1" ; chebi:inchikey "AVCDQRNGDYLZTC-JYRKZWEQSA-N" ; chebi:mass "458.484" ; chebi:monoisotopicmass "458.19655" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@@H]1CC(=O)NCC4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102055" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_102056 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C27H33N3O6" ; chebi:inchi "InChI=1S/C27H33N3O6/c1-30-22-10-9-20(16-25(31)28-12-13-34-2)36-24(22)17-35-23-11-8-19(15-21(23)27(30)33)29-26(32)14-18-6-4-3-5-7-18/h3-8,11,15,20,22,24H,9-10,12-14,16-17H2,1-2H3,(H,28,31)(H,29,32)/t20-,22-,24+/m1/s1" ; chebi:inchikey "CUJGJHGFROPBKV-BKULYWANSA-N" ; chebi:mass "495.568" ; chebi:monoisotopicmass "495.23694" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CC=C4)CC(=O)NCCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102056" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102057 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c30-15-23-25-21(11-19(34-23)12-24(31)28-14-16-2-1-7-27-13-16)20-10-18(3-4-22(20)35-25)29-26(32)17-5-8-33-9-6-17/h1-4,7,10,13,17,19,21,23,25,30H,5-6,8-9,11-12,14-15H2,(H,28,31)(H,29,32)/t19-,21-,23+,25+/m1/s1" ; chebi:inchikey "UAPJRYKULVRBJS-ASASOQJESA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102057" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102058 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32FN3O7S" ; chebi:inchi "InChI=1S/C30H32FN3O7S/c1-34-25-12-11-22(16-29(35)32-17-19-6-5-7-21(14-19)39-2)41-27(25)18-40-26-13-10-20(15-23(26)30(34)36)33-42(37,38)28-9-4-3-8-24(28)31/h3-10,13-15,22,25,27,33H,11-12,16-18H2,1-2H3,(H,32,35)/t22-,25+,27+/m1/s1" ; chebi:inchikey "MRUYUJCJGOFQDV-PWMMPXSUSA-N" ; chebi:mass "597.657" ; chebi:monoisotopicmass "597.19450" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102058" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide" . obo:CHEBI_102059 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c1-3-5-25(32)30-19-8-11-23-21(13-19)27(34)31(2)22-10-9-20(36-24(22)16-35-23)14-26(33)29-15-17-6-4-7-18(28)12-17/h4,6-8,11-13,20,22,24H,3,5,9-10,14-16H2,1-2H3,(H,29,33)(H,30,32)/t20-,22+,24-/m1/s1" ; chebi:inchikey "BYJFOJVMGKORHN-JCTONOIOSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC(=CC=C4)F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102059" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide" . obo:CHEBI_10206 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_48428 ; owl:deprecated true . obo:CHEBI_102060 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O5" ; chebi:inchi "InChI=1S/C27H36FN3O5/c1-18-13-31(14-20-7-6-8-21(28)11-20)19(2)16-36-24-12-22(29-26(32)17-34-4)9-10-23(24)27(33)30(3)15-25(18)35-5/h6-12,18-19,25H,13-17H2,1-5H3,(H,29,32)/t18-,19+,25-/m0/s1" ; chebi:inchikey "KGYIFIZLZVXLPC-CEYNDMKZSA-N" ; chebi:mass "501.591" ; chebi:monoisotopicmass "501.26390" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102060" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_102061 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H30F3N3O6" ; chebi:inchi "InChI=1S/C30H30F3N3O6/c1-40-24-5-3-2-4-17(24)15-34-27(38)14-21-13-23-22-12-20(10-11-25(22)42-28(23)26(16-37)41-21)36-29(39)35-19-8-6-18(7-9-19)30(31,32)33/h2-12,21,23,26,28,37H,13-16H2,1H3,(H,34,38)(H2,35,36,39)/t21-,23-,26-,28+/m0/s1" ; chebi:inchikey "SYQUHMCSVCULSJ-ZVMBZZGVSA-N" ; chebi:mass "585.572" ; chebi:monoisotopicmass "585.20867" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102061" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_102062 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H28FN5O3" ; chebi:inchi "InChI=1S/C27H28FN5O3/c28-18-5-3-17(4-6-18)20-7-8-23-24-21(13-32(23)27(20)36)22(14-34)25(33(24)12-16-1-2-16)26(35)30-11-19-9-10-29-15-31-19/h3-10,15-16,21-22,24-25,34H,1-2,11-14H2,(H,30,35)/t21-,22-,24+,25-/m1/s1" ; chebi:inchikey "URDKMROJZUNSLX-YQIMAOPZSA-N" ; chebi:mass "489.542" ; chebi:monoisotopicmass "489.21762" ; chebi:smiles "C1CC1CN2[C@H]3[C@H](CN4C3=CC=C(C4=O)C5=CC=C(C=C5)F)[C@H]([C@@H]2C(=O)NCC6=NC=NC=C6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102062" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-(cyclopropylmethyl)-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-N-(4-pyrimidinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102063 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C25H31F3N2O5S" ; chebi:inchi "InChI=1S/C25H31F3N2O5S/c1-17-12-30(18(2)14-31)24(32)22-11-7-6-10-21(22)20-9-5-4-8-19(20)15-35-23(17)13-29(3)36(33,34)16-25(26,27)28/h4-11,17-18,23,31H,12-16H2,1-3H3/t17-,18-,23-/m1/s1" ; chebi:inchikey "YLVWKLWKMUPGPR-PMAPCBKXSA-N" ; chebi:mass "528.586" ; chebi:monoisotopicmass "528.19058" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102063" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13423" . obo:CHEBI_102064 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H36FN3O5" ; chebi:inchi "InChI=1S/C29H36FN3O5/c1-18-15-33(27(34)13-20-5-6-20)19(2)17-38-25-14-23(31-28(35)21-7-9-22(30)10-8-21)11-12-24(25)29(36)32(3)16-26(18)37-4/h7-12,14,18-20,26H,5-6,13,15-17H2,1-4H3,(H,31,35)/t18-,19-,26-/m1/s1" ; chebi:inchikey "QTFKJTMJQVNOKY-LJKQEARRSA-N" ; chebi:mass "525.613" ; chebi:monoisotopicmass "525.26390" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102064" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide" . obo:CHEBI_102065 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-30-21-10-9-19(13-24(31)27-14-16-6-7-16)35-23(21)15-34-22-11-8-18(12-20(22)25(30)32)29-26(33)28-17-4-2-3-5-17/h8,11-12,16-17,19,21,23H,2-7,9-10,13-15H2,1H3,(H,27,31)(H2,28,29,33)/t19-,21-,23-/m1/s1" ; chebi:inchikey "OPKRVFTXMKZUJR-KJXAQDMKSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4CCCC4)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102065" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_102066 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C34H36F2N4O5" ; chebi:inchi "InChI=1S/C34H36F2N4O5/c1-39-29-11-9-25(17-32(41)37-24-13-14-40(19-24)18-21-5-3-2-4-6-21)45-31(29)20-44-30-12-8-23(16-26(30)34(39)43)38-33(42)22-7-10-27(35)28(36)15-22/h2-8,10,12,15-16,24-25,29,31H,9,11,13-14,17-20H2,1H3,(H,37,41)(H,38,42)/t24-,25-,29-,31+/m0/s1" ; chebi:inchikey "UWMJOJNRDSZDAZ-BALKIKAKSA-N" ; chebi:mass "618.672" ; chebi:monoisotopicmass "618.26538" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102066" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_102067 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H33ClF3N3O3" ; chebi:inchi "InChI=1S/C25H33ClF3N3O3/c1-17(13-32(18(2)16-33)14-19-7-5-6-8-22(19)26)23(35-4)15-31(3)24(34)30-21-11-9-20(10-12-21)25(27,28)29/h5-12,17-18,23,33H,13-16H2,1-4H3,(H,30,34)/t17-,18+,23+/m0/s1" ; chebi:inchikey "NINYSMYJRLQSCV-YZZKKUAISA-N" ; chebi:mass "515.997" ; chebi:monoisotopicmass "515.21625" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)C(F)(F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102067" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_102068 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16+,18-,19+/m0/s1" ; chebi:inchikey "LYYREMJMDQKNES-QNDJGXFYSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@H]1C(=O)N(C[C@@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102068" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13428" . obo:CHEBI_102069 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21+,23+,25+,27-/m1/s1" ; chebi:inchikey "SNGIXDWGPLKZOT-XASBYKNISA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102069" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_10207 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_37415 ; owl:deprecated true . obo:CHEBI_102070 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C30H41N3O4" ; chebi:inchi "InChI=1S/C30H41N3O4/c1-21-17-33(22(2)19-34)29(35)27-16-10-9-15-26(27)25-14-8-7-11-23(25)20-37-28(21)18-32(3)30(36)31-24-12-5-4-6-13-24/h7-11,14-16,21-22,24,28,34H,4-6,12-13,17-20H2,1-3H3,(H,31,36)/t21-,22+,28-/m1/s1" ; chebi:inchikey "FOMDXHZXOKRLRD-RZIGYZOXSA-N" ; chebi:mass "507.665" ; chebi:monoisotopicmass "507.30971" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102070" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13430" . obo:CHEBI_102071 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H30FN3O5" ; chebi:inchi "InChI=1S/C21H30FN3O5/c22-16-3-1-2-15(10-16)12-23-20(27)11-17-4-5-18(19(14-26)30-17)24-21(28)13-25-6-8-29-9-7-25/h1-3,10,17-19,26H,4-9,11-14H2,(H,23,27)(H,24,28)/t17-,18-,19+/m1/s1" ; chebi:inchikey "ZEQYNXCYKJRRAG-QRVBRYPASA-N" ; chebi:mass "423.479" ; chebi:monoisotopicmass "423.21695" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CC(=O)NCC2=CC(=CC=C2)F)CO)NC(=O)CN3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102071" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102072 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O7" ; chebi:inchi "InChI=1S/C28H37N3O7/c1-18-14-31(26(32)17-35-4)19(2)16-38-24-13-21(29-27(33)20-7-10-22(36-5)11-8-20)9-12-23(24)28(34)30(3)15-25(18)37-6/h7-13,18-19,25H,14-17H2,1-6H3,(H,29,33)/t18-,19+,25-/m1/s1" ; chebi:inchikey "YQOYUVQVCGNRJC-HHJKRLRDSA-N" ; chebi:mass "527.610" ; chebi:monoisotopicmass "527.26315" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102072" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-methoxy-N-[(5S,6R,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102073 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-27-16-7-2-4-14(10-16)12-22-20(25)11-17-8-9-18(19(13-24)28-17)23-21(26)15-5-3-6-15/h2,4,7-10,15,17-19,24H,3,5-6,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18-,19-/m1/s1" ; chebi:inchikey "QDYPPDFKKOAHDR-GUDVDZBRSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3CCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102073" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide" . obo:CHEBI_102074 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26N2O6S" ; chebi:inchi "InChI=1S/C19H26N2O6S/c1-28(24,25)21-12-4-5-16-14(6-12)15-7-13(26-17(10-22)19(15)27-16)8-18(23)20-9-11-2-3-11/h4-6,11,13,15,17,19,21-22H,2-3,7-10H2,1H3,(H,20,23)/t13-,15-,17-,19+/m0/s1" ; chebi:inchikey "YSCGDHRCRJHNHR-YMFLFHJQSA-N" ; chebi:mass "410.486" ; chebi:monoisotopicmass "410.15116" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102074" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_102075 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-25-12-5-8-21(27)26(2)15-20-19(29-3)10-9-17(31-20)11-13-30-22-16(14-24)6-4-7-18(22)23(25)28/h4,6-7,17,19-20H,5,8-13,15H2,1-3H3/t17-,19-,20+/m0/s1" ; chebi:inchikey "DXVJXLONGZUJOS-YSIASYRMSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "CN1CCCC(=O)N(C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C1=O)C#N)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102075" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13435" . obo:CHEBI_102076 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H18N2O3S" ; chebi:inchi "InChI=1S/C18H18N2O3S/c19-11-16-18(15-9-5-2-6-10-15)17(12-21)20(16)24(22,23)13-14-7-3-1-4-8-14/h1-10,16-18,21H,12-13H2/t16-,17+,18-/m1/s1" ; chebi:inchikey "SEDZELNMUHOWSZ-FGTMMUONSA-N" ; chebi:mass "342.414" ; chebi:monoisotopicmass "342.10381" ; chebi:smiles "C1=CC=C(C=C1)CS(=O)(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102076" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile" . obo:CHEBI_102077 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C27H29FN4O3" ; chebi:inchi "InChI=1S/C27H29FN4O3/c1-2-11-30-26(34)24-20(16-33)23-15-32-22(8-7-19(27(32)35)17-9-12-29-13-10-17)25(24)31(23)14-18-5-3-4-6-21(18)28/h3-10,12-13,20,23-25,33H,2,11,14-16H2,1H3,(H,30,34)/t20-,23-,24+,25+/m1/s1" ; chebi:inchikey "FKAVMSLVYBDOGB-GATIMQMVSA-N" ; chebi:mass "476.544" ; chebi:monoisotopicmass "476.22237" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@@H]1N2CC5=CC=CC=C5F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102077" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13437" . obo:CHEBI_102078 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25F3N4O4" ; chebi:inchi "InChI=1S/C22H25F3N4O4/c23-22(24,25)15-3-5-16(6-4-15)28-21(32)27-11-9-17-7-8-18(19(13-30)33-17)29-20(31)14-2-1-10-26-12-14/h1-6,10,12,17-19,30H,7-9,11,13H2,(H,29,31)(H2,27,28,32)/t17-,18+,19-/m1/s1" ; chebi:inchikey "JHFKDWZHMFMOKL-CEXWTWQISA-N" ; chebi:mass "466.454" ; chebi:monoisotopicmass "466.18279" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCNC(=O)NC2=CC=C(C=C2)C(F)(F)F)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102078" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_102079 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O6" ; chebi:inchi "InChI=1S/C28H34F3N3O6/c1-17-13-34(10-9-28(29,30)31)18(2)15-38-23-12-20(6-7-21(23)27(36)33(3)14-25(17)37-4)32-26(35)19-5-8-22-24(11-19)40-16-39-22/h5-8,11-12,17-18,25H,9-10,13-16H2,1-4H3,(H,32,35)/t17-,18-,25-/m0/s1" ; chebi:inchikey "RXVPCSLMNQSOJP-RPPIVITFSA-N" ; chebi:mass "565.582" ; chebi:monoisotopicmass "565.23997" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102079" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_10208 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_33704 ; owl:deprecated true . obo:CHEBI_102080 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H24ClN3O5S" ; chebi:inchi "InChI=1S/C20H24ClN3O5S/c21-14-4-7-16(8-5-14)30(27,28)23-12-10-15-6-9-17(19(13-25)29-15)24-20(26)18-3-1-2-11-22-18/h1-5,7-8,11,15,17,19,23,25H,6,9-10,12-13H2,(H,24,26)/t15-,17+,19+/m1/s1" ; chebi:inchikey "VBSGUKREVIUPDG-AYBZRNKSSA-N" ; chebi:mass "453.941" ; chebi:monoisotopicmass "453.11252" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102080" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_102081 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H34N6O4S" ; chebi:inchi "InChI=1S/C30H34N6O4S/c1-19-14-36(15-21-12-31-18-32-13-21)20(2)17-40-25-10-9-22(11-23(25)30(38)35(3)16-26(19)39-4)33-28(37)29-34-24-7-5-6-8-27(24)41-29/h5-13,18-20,26H,14-17H2,1-4H3,(H,33,37)/t19-,20+,26+/m1/s1" ; chebi:inchikey "AMMFZKQUXZGGMQ-GOHWNWGWSA-N" ; chebi:mass "574.696" ; chebi:monoisotopicmass "574.23622" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CN=CN=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102081" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_102082 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25N3O5" ; chebi:inchi "InChI=1S/C18H25N3O5/c22-12-16-14(20-18(24)15-3-1-2-6-19-15)5-4-13(26-16)11-17(23)21-7-9-25-10-8-21/h1-3,6,13-14,16,22H,4-5,7-12H2,(H,20,24)/t13-,14+,16-/m0/s1" ; chebi:inchikey "QWCXAENNPFGWBU-LZWOXQAQSA-N" ; chebi:mass "363.409" ; chebi:monoisotopicmass "363.17942" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102082" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_102083 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23-,24+,30-/m1/s1" ; chebi:inchikey "VTQGPDBOURHJNB-HTWFIQDWSA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102083" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13443" . obo:CHEBI_102084 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H27ClN2O4" ; chebi:inchi "InChI=1S/C20H27ClN2O4/c21-15-5-3-14(4-6-15)11-22-19(25)10-16-7-8-17(18(12-24)27-16)23-20(26)9-13-1-2-13/h3-6,13,16-18,24H,1-2,7-12H2,(H,22,25)(H,23,26)/t16-,17-,18+/m1/s1" ; chebi:inchikey "QFAVGRCFIOJHOR-KURKYZTESA-N" ; chebi:mass "394.893" ; chebi:monoisotopicmass "394.16594" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CC(=O)NCC2=CC=C(C=C2)Cl)CO)NC(=O)CC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102084" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-cyclopropylacetamide" . obo:CHEBI_102085 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N6O3" ; chebi:inchi "InChI=1S/C20H30N6O3/c1-25(2)12-16-13-26(24-23-16)9-7-17-5-6-18(19(14-27)29-17)22-20(28)10-15-4-3-8-21-11-15/h3-4,8,11,13,17-19,27H,5-7,9-10,12,14H2,1-2H3,(H,22,28)/t17-,18+,19-/m0/s1" ; chebi:inchikey "NKPFHNDONDWVBL-OTWHNJEPSA-N" ; chebi:mass "402.491" ; chebi:monoisotopicmass "402.23794" ; chebi:smiles "CN(C)CC1=CN(N=N1)CC[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102085" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_102086 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C31H30FN3O7" ; chebi:inchi "InChI=1S/C31H30FN3O7/c1-35-24-9-8-20(14-29(36)33-15-18-6-10-26-27(12-18)41-17-40-26)42-28(24)16-39-25-11-7-19(13-22(25)31(35)38)34-30(37)21-4-2-3-5-23(21)32/h2-7,10-13,20,24,28H,8-9,14-17H2,1H3,(H,33,36)(H,34,37)/t20-,24-,28-/m0/s1" ; chebi:inchikey "GPWYEVCXUJXIOI-IDOVBLGQSA-N" ; chebi:mass "575.585" ; chebi:monoisotopicmass "575.20678" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102086" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide" . obo:CHEBI_102087 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H32N4O4" ; chebi:inchi "InChI=1S/C29H32N4O4/c1-32(2)28(36)20-10-8-19(9-11-20)21-12-13-24-25-22(16-33(24)29(21)37)23(17-34)26(31-25)27(35)30-15-14-18-6-4-3-5-7-18/h3-13,22-23,25-26,31,34H,14-17H2,1-2H3,(H,30,35)/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "HHBAGBOVOCHPKM-LJCOXQHRSA-N" ; chebi:mass "500.590" ; chebi:monoisotopicmass "500.24236" ; chebi:smiles "CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4)C(=O)NCCC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102087" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-[4-[dimethylamino(oxo)methyl]phenyl]-3-(hydroxymethyl)-6-oxo-N-(2-phenylethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102088 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H27N3O3" ; chebi:inchi "InChI=1S/C23H27N3O3/c27-14-17-18-13-26-19(10-9-16(22(26)28)15-7-3-1-4-8-15)21(24-18)20(17)23(29)25-11-5-2-6-12-25/h1,3-4,7-10,17-18,20-21,24,27H,2,5-6,11-14H2/t17-,18-,20+,21+/m0/s1" ; chebi:inchikey "JIIRQJXSNNBKIS-FMWKFLBASA-N" ; chebi:mass "393.480" ; chebi:monoisotopicmass "393.20524" ; chebi:smiles "C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@H]2N3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102088" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13448" . obo:CHEBI_102089 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21+,22+,23-,24+/m1/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-BAHGYDIPSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@@H](COC[C@H]2[C@H]1CC[C@H](O2)CC(=O)N[C@@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102089" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-3-hydroxy-8-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_10209 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_46874 ; owl:deprecated true . obo:CHEBI_102090 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N5O5S" ; chebi:inchi "InChI=1S/C22H32F3N5O5S/c1-15(19(35-5)11-29(4)36(33,34)20-12-28(3)14-26-20)10-30(16(2)13-31)21(32)27-18-8-6-17(7-9-18)22(23,24)25/h6-9,12,14-16,19,31H,10-11,13H2,1-5H3,(H,27,32)/t15-,16+,19-/m1/s1" ; chebi:inchikey "DUWNSMSZAPHBFZ-JTDSTZFVSA-N" ; chebi:mass "535.582" ; chebi:monoisotopicmass "535.20762" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102090" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_102091 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H27N3O6" ; chebi:inchi "InChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-4-5-19-17(7-15)18-8-16(31-20(12-27)23(18)32-19)9-21(28)25-11-14-3-2-6-24-10-14/h2-7,10,16,18,20,23,27H,8-9,11-13H2,1H3,(H,25,28)(H,26,29)/t16-,18+,20-,23-/m0/s1" ; chebi:inchikey "HQZJCXNXJWTAKA-IRLNJFMJSA-N" ; chebi:mass "441.478" ; chebi:monoisotopicmass "441.18999" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102091" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_102092 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33F3N4O5S" ; chebi:inchi "InChI=1S/C25H33F3N4O5S/c1-17-12-32(13-19-6-5-9-29-11-19)18(2)15-37-22-10-20(30-38(34,35)16-25(26,27)28)7-8-21(22)24(33)31(3)14-23(17)36-4/h5-11,17-18,23,30H,12-16H2,1-4H3/t17-,18+,23-/m1/s1" ; chebi:inchikey "FDHKBRYHKGCIFQ-IEGUWTFLSA-N" ; chebi:mass "558.616" ; chebi:monoisotopicmass "558.21238" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102092" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102093 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H23NO8" ; chebi:inchi "InChI=1S/C23H23NO8/c1-28-21(26)9-14-8-16-15-7-13(3-5-17(15)32-22(16)20(10-25)31-14)24-23(27)12-2-4-18-19(6-12)30-11-29-18/h2-7,14,16,20,22,25H,8-11H2,1H3,(H,24,27)/t14-,16-,20+,22+/m0/s1" ; chebi:inchikey "HFIMGBHSBJMCIP-MFYXDEDASA-N" ; chebi:mass "441.432" ; chebi:monoisotopicmass "441.14237" ; chebi:smiles "COC(=O)C[C@@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102093" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102094 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c31-23-17-30(16-20-2-1-3-22(14-20)21-6-8-28-9-7-21)25-5-4-24(35-26(25)19-34-18-23)15-27(32)29-10-12-33-13-11-29/h1-3,6-9,14,23-26,31H,4-5,10-13,15-19H2/t23-,24+,25+,26-/m0/s1" ; chebi:inchikey "VMOCTUISBGPURH-QUMGSSFMSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC=CC(=C3)C4=CC=NC=C4)O)O[C@H]1CC(=O)N5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102094" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone" . obo:CHEBI_102095 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H35N3O5" ; chebi:inchi "InChI=1S/C31H35N3O5/c1-34(2)18-30(37)33-23-12-13-27-25(14-23)26-15-24(38-28(19-35)31(26)39-27)16-29(36)32-17-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-14,24,26,28,31,35H,15-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,26+,28-,31-/m0/s1" ; chebi:inchikey "BRDKARYWUSDFKE-SSMOCFHSSA-N" ; chebi:mass "529.628" ; chebi:monoisotopicmass "529.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102095" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_102096 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H27N3O7" ; chebi:inchi "InChI=1S/C28H27N3O7/c32-14-25-27-21(11-19(37-25)12-26(33)30-13-18-3-1-2-8-29-18)20-10-17(5-7-22(20)38-27)31-28(34)16-4-6-23-24(9-16)36-15-35-23/h1-10,19,21,25,27,32H,11-15H2,(H,30,33)(H,31,34)/t19-,21-,25+,27+/m0/s1" ; chebi:inchikey "FEEKZGTVSGSFLP-ZTUCRWOVSA-N" ; chebi:mass "517.531" ; chebi:monoisotopicmass "517.18490" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=CC=N6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102096" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102097 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O6" ; chebi:inchi "InChI=1S/C24H38N4O6/c1-15(2)25-24(31)28-11-16(3)21(33-7)12-27(5)23(30)19-9-8-18(26-22(29)14-32-6)10-20(19)34-13-17(28)4/h8-10,15-17,21H,11-14H2,1-7H3,(H,25,31)(H,26,29)/t16-,17+,21+/m0/s1" ; chebi:inchikey "AOOMHDUDPOWWMY-CSODHUTKSA-N" ; chebi:mass "478.583" ; chebi:monoisotopicmass "478.27913" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102097" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6S,9R)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_102098 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34FN3O6S" ; chebi:inchi "InChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23-,25+,27+/m0/s1" ; chebi:inchikey "PHBUKTREHITDBU-MUUNGVPUSA-N" ; chebi:mass "547.641" ; chebi:monoisotopicmass "547.21524" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102098" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102099 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-19(24)12-21)22(32-4)14-25(3)33(28,29)20-10-8-18(23)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "JTCZGLOUSBJUER-GSHUGGBRSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102099" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_1021 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16886 ; owl:deprecated true . obo:CHEBI_10210 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27578 ; owl:deprecated true . obo:CHEBI_102100 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H34FN3O4" ; chebi:inchi "InChI=1S/C28H34FN3O4/c29-20-3-1-2-19(12-20)21-6-7-24-25-22(15-31(24)28(21)35)23(16-33)26(27(34)30-13-17-4-5-17)32(25)14-18-8-10-36-11-9-18/h1-3,6-7,12,17-18,22-23,25-26,33H,4-5,8-11,13-16H2,(H,30,34)/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "QQHZYPMPDOLVNZ-LJCOXQHRSA-N" ; chebi:mass "495.587" ; chebi:monoisotopicmass "495.25333" ; chebi:smiles "C1CC1CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC(=CC=C5)F)[C@@H]3N2CC6CCOCC6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102100" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102101 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21-,24+,26+,28-/m0/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-VULYSIACSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102101" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102102 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O7" ; chebi:inchi "InChI=1S/C28H34N2O7/c1-34-23-5-3-2-4-18(23)15-29-26(32)14-20-13-22-21-12-19(30-28(33)17-8-10-35-11-9-17)6-7-24(21)37-27(22)25(16-31)36-20/h2-7,12,17,20,22,25,27,31H,8-11,13-16H2,1H3,(H,29,32)(H,30,33)/t20-,22-,25+,27+/m0/s1" ; chebi:inchikey "FSAONXZLMNAVLZ-ZTQIFVIOSA-N" ; chebi:mass "510.580" ; chebi:monoisotopicmass "510.23660" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102102" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102103 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H28N2O5" ; chebi:inchi "InChI=1S/C28H28N2O5/c31-19-26-25(30-28(33)21-7-3-1-4-8-21)16-15-24(35-26)17-27(32)29-18-20-11-13-23(14-12-20)34-22-9-5-2-6-10-22/h1-16,24-26,31H,17-19H2,(H,29,32)(H,30,33)/t24-,25-,26+/m0/s1" ; chebi:inchikey "KKHGDJJULHRULI-KKUQBAQOSA-N" ; chebi:mass "472.533" ; chebi:monoisotopicmass "472.19982" ; chebi:smiles "C1=CC=C(C=C1)C(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102103" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_102104 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O6" ; chebi:inchi "InChI=1S/C27H35N3O6/c1-17-14-30(19(3)31)18(2)16-36-24-13-20(28-26(32)21-9-7-8-10-23(21)34-5)11-12-22(24)27(33)29(4)15-25(17)35-6/h7-13,17-18,25H,14-16H2,1-6H3,(H,28,32)/t17-,18+,25-/m0/s1" ; chebi:inchikey "NNPXJSNOAUXSRD-ATLLOTDBSA-N" ; chebi:mass "497.584" ; chebi:monoisotopicmass "497.25259" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102104" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxybenzamide" . obo:CHEBI_102105 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32F2N4O4" ; chebi:inchi "InChI=1S/C25H32F2N4O4/c1-15-12-30(3)16(2)14-35-22-11-18(7-8-19(22)24(32)31(4)13-23(15)34-5)28-25(33)29-21-10-17(26)6-9-20(21)27/h6-11,15-16,23H,12-14H2,1-5H3,(H2,28,29,33)/t15-,16+,23+/m0/s1" ; chebi:inchikey "AKULYVRZEMKLJR-NXHTTZLHSA-N" ; chebi:mass "490.544" ; chebi:monoisotopicmass "490.23916" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102105" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102106 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H24F5N3O4" ; chebi:inchi "InChI=1S/C23H24F5N3O4/c24-15-7-13(8-16(25)9-15)11-29-21(33)10-18-5-6-19(20(12-32)35-18)31-22(34)30-17-3-1-14(2-4-17)23(26,27)28/h1-4,7-9,18-20,32H,5-6,10-12H2,(H,29,33)(H2,30,31,34)/t18-,19+,20-/m0/s1" ; chebi:inchikey "CXBDXCVDLXJCMX-ZCNNSNEGSA-N" ; chebi:mass "501.447" ; chebi:monoisotopicmass "501.16870" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)NCC2=CC(=CC(=C2)F)F)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102106" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,5-difluorophenyl)methyl]-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102107 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H27ClN2O4" ; chebi:inchi "InChI=1S/C20H27ClN2O4/c21-15-5-3-14(4-6-15)11-22-19(25)10-16-7-8-17(18(12-24)27-16)23-20(26)9-13-1-2-13/h3-6,13,16-18,24H,1-2,7-12H2,(H,22,25)(H,23,26)/t16-,17+,18+/m1/s1" ; chebi:inchikey "QFAVGRCFIOJHOR-SQNIBIBYSA-N" ; chebi:mass "394.893" ; chebi:monoisotopicmass "394.16594" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=CC=C(C=C2)Cl)CO)NC(=O)CC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102107" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-cyclopropylacetamide" . obo:CHEBI_102108 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H40N6O6" ; chebi:inchi "InChI=1S/C33H40N6O6/c1-20-31(21(2)45-37-20)36-33(42)35-23-9-12-28-26(15-23)32(41)38(3)27-11-10-25(44-29(27)19-43-28)16-30(40)34-24-13-14-39(18-24)17-22-7-5-4-6-8-22/h4-9,12,15,24-25,27,29H,10-11,13-14,16-19H2,1-3H3,(H,34,40)(H2,35,36,42)/t24-,25-,27-,29-/m0/s1" ; chebi:inchikey "JZQJXXSKGFWMTL-JVGXHWGJSA-N" ; chebi:mass "616.709" ; chebi:monoisotopicmass "616.30093" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@H](O4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102108" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_102109 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C17H25N3O3" ; chebi:inchi "InChI=1S/C17H25N3O3/c1-4-8-19-13-9-20-12(6-5-7-14(20)22)16(19)15(11(13)10-21)17(23)18(2)3/h5-7,11,13,15-16,21H,4,8-10H2,1-3H3/t11-,13-,15+,16+/m1/s1" ; chebi:inchikey "OCXQXADZMXZZGR-OYNZBZHQSA-N" ; chebi:mass "319.399" ; chebi:monoisotopicmass "319.18959" ; chebi:smiles "CCCN1[C@@H]2CN3C(=O)C=CC=C3[C@H]1[C@H]([C@@H]2CO)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102109" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13469" . obo:CHEBI_10211 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C6H10NO3SR" ; chebi:mass "176.215" ; chebi:monoisotopicmass "176.03814" ; chebi:smiles "N[C@@H](CCCC(=O)S[*])C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10211" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Aminoadipoyl-S-acyl enzyme" . obo:CHEBI_102110 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22+,26+,28-/m0/s1" ; chebi:inchikey "WXIRIDSMDJYJEU-PJDAHJOFSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102110" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102111 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H23N3OS" ; chebi:inchi "InChI=1S/C21H23N3OS/c1-4-17-12-23-21(26-17)24-18(11-22)20(19(24)13-25)16-9-7-15(8-10-16)6-5-14(2)3/h7-10,12,14,18-20,25H,4,13H2,1-3H3/t18-,19-,20+/m0/s1" ; chebi:inchikey "DBBLKINRPPNEJI-SLFFLAALSA-N" ; chebi:mass "365.494" ; chebi:monoisotopicmass "365.15618" ; chebi:smiles "CCC1=CN=C(S1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C#CC(C)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102111" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_102112 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H33ClN4O5" ; chebi:inchi "InChI=1S/C31H33ClN4O5/c1-19-6-5-8-21(14-19)34-31(39)35-22-10-13-27-24(15-22)30(38)36(2)26-12-11-23(41-28(26)18-40-27)16-29(37)33-17-20-7-3-4-9-25(20)32/h3-10,13-15,23,26,28H,11-12,16-18H2,1-2H3,(H,33,37)(H2,34,35,39)/t23-,26+,28+/m1/s1" ; chebi:inchikey "SECMWWJMRQEFAV-KHGZIGHDSA-N" ; chebi:mass "577.072" ; chebi:monoisotopicmass "576.21395" ; chebi:smiles "CC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@@H](O4)CC(=O)NCC5=CC=CC=C5Cl)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102112" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-8-[[(3-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_102113 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36F3N5O5" ; chebi:inchi "InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16-,22-/m1/s1" ; chebi:inchikey "PCJFVZCPKBPEAR-XCGNWRKASA-N" ; chebi:mass "555.591" ; chebi:monoisotopicmass "555.26685" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102113" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102114 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C27H33FN4O5" ; chebi:inchi "InChI=1S/C27H33FN4O5/c1-16(2)30-27(35)31-19-8-11-23-21(12-19)26(34)32(3)22-10-9-20(37-24(22)15-36-23)13-25(33)29-14-17-4-6-18(28)7-5-17/h4-8,11-12,16,20,22,24H,9-10,13-15H2,1-3H3,(H,29,33)(H2,30,31,35)/t20-,22+,24+/m1/s1" ; chebi:inchikey "CMDXATVLXHEPLP-SFLYRZDNSA-N" ; chebi:mass "512.574" ; chebi:monoisotopicmass "512.24350" ; chebi:smiles "CC(C)NC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102114" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_102115 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C30H35FN2O3" ; chebi:inchi "InChI=1S/C30H35FN2O3/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-36-29(21)18-32(3)17-23-9-8-11-25(31)15-23/h4-15,21-22,29,34H,16-20H2,1-3H3/t21-,22+,29-/m0/s1" ; chebi:inchikey "ZIZYGTWNPVBARE-KERYWQKISA-N" ; chebi:mass "490.610" ; chebi:monoisotopicmass "490.26317" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC(=CC=C4)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102115" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13475" . obo:CHEBI_102116 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O5" ; chebi:inchi "InChI=1S/C24H37N3O5/c1-16-11-27(12-18-6-7-18)17(2)14-32-21-10-19(25-23(28)15-30-4)8-9-20(21)24(29)26(3)13-22(16)31-5/h8-10,16-18,22H,6-7,11-15H2,1-5H3,(H,25,28)/t16-,17+,22+/m0/s1" ; chebi:inchikey "MDBZRSBKDCCZHT-GSHUGGBRSA-N" ; chebi:mass "447.569" ; chebi:monoisotopicmass "447.27332" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102116" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_102117 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C12H21NO5" ; chebi:inchi "InChI=1S/C12H21NO5/c1-16-12(15)4-9-2-3-10-11(18-9)7-17-6-8(14)5-13-10/h8-11,13-14H,2-7H2,1H3/t8-,9+,10-,11+/m0/s1" ; chebi:inchikey "FKMAUGDURCCEJG-ZRUFSTJUSA-N" ; chebi:mass "259.299" ; chebi:monoisotopicmass "259.14197" ; chebi:smiles "COC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102117" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_102118 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-6-27(32)29-23-12-13-24-25(16-23)35-19-21(3)31(15-14-22-10-8-7-9-11-22)17-20(2)26(34-5)18-30(4)28(24)33/h7-13,16,20-21,26H,6,14-15,17-19H2,1-5H3,(H,29,32)/t20-,21+,26+/m1/s1" ; chebi:inchikey "IOFIBAZLXDARLU-SWYRRKHMSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)CCC3=CC=CC=C3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102118" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_102119 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C22H28ClN3O4S" ; chebi:inchi "InChI=1S/C22H28ClN3O4S/c23-18-4-2-1-3-15(18)10-25-21(28)9-17-5-6-19-20(30-17)14-29-13-16(27)11-26(19)12-22-24-7-8-31-22/h1-4,7-8,16-17,19-20,27H,5-6,9-14H2,(H,25,28)/t16-,17-,19-,20+/m0/s1" ; chebi:inchikey "VRNJYJIECLSBHX-QGZVKYPTSA-N" ; chebi:mass "465.995" ; chebi:monoisotopicmass "465.14891" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=NC=CS3)O)O[C@@H]1CC(=O)NCC4=CC=CC=C4Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102119" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_10212 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27959 ; owl:deprecated true . obo:CHEBI_102120 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H28FN3O5" ; chebi:inchi "InChI=1S/C28H28FN3O5/c29-19-3-1-2-18(10-19)15-31-26(34)14-21-13-23-22-12-20(32-27(35)11-17-6-8-30-9-7-17)4-5-24(22)37-28(23)25(16-33)36-21/h1-10,12,21,23,25,28,33H,11,13-16H2,(H,31,34)(H,32,35)/t21-,23-,25+,28+/m0/s1" ; chebi:inchikey "JTKPUOMASGTZAW-GUAPPOABSA-N" ; chebi:mass "505.538" ; chebi:monoisotopicmass "505.20130" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=CC(=CC=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102120" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_102121 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C25H30N2O4" ; chebi:inchi "InChI=1S/C25H30N2O4/c1-26(2)18-7-8-22-20(11-18)21-12-19(30-23(15-28)25(21)31-22)13-24(29)27-10-9-16-5-3-4-6-17(16)14-27/h3-8,11,19,21,23,25,28H,9-10,12-15H2,1-2H3/t19-,21+,23+,25-/m1/s1" ; chebi:inchikey "QQFBCVYCCQBHCE-IQKBUIRBSA-N" ; chebi:mass "422.518" ; chebi:monoisotopicmass "422.22056" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102121" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_102122 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H24N4O6" ; chebi:inchi "InChI=1S/C21H24N4O6/c26-11-19-15(25-20(27)13-1-4-17-18(9-13)30-12-29-17)3-2-14(31-19)5-6-24-21(28)16-10-22-7-8-23-16/h1,4,7-10,14-15,19,26H,2-3,5-6,11-12H2,(H,24,28)(H,25,27)/t14-,15-,19-/m0/s1" ; chebi:inchikey "OAEJMSHQDKFBTQ-DOXZYTNZSA-N" ; chebi:mass "428.439" ; chebi:monoisotopicmass "428.16958" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCNC(=O)C2=NC=CN=C2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102122" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6R)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_102123 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-25(2)16-6-7-20-18(12-16)19-13-17(29-21(15-27)23(19)30-20)14-22(28)24-8-11-26-9-4-3-5-10-26/h6-7,12,17,19,21,23,27H,3-5,8-11,13-15H2,1-2H3,(H,24,28)/t17-,19+,21+,23-/m1/s1" ; chebi:inchikey "HWEAQBDEOFZYHR-QXPQREGVSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCCN4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102123" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102124 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30FN3O5S" ; chebi:inchi "InChI=1S/C23H30FN3O5S/c1-15-12-25-16(2)14-32-21-9-8-18(11-20(21)23(28)27(3)13-22(15)31-4)26-33(29,30)19-7-5-6-17(24)10-19/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16-,22+/m0/s1" ; chebi:inchikey "FAXXRWNSKSYYIM-PONJGIIJSA-N" ; chebi:mass "479.567" ; chebi:monoisotopicmass "479.18902" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102124" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_102125 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21+,24+,26-,28-/m1/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-KMTUSBKWSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102125" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102126 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-16-12-30(13-19-6-7-19)17(2)15-34-23-9-8-20(27-25(31)22-10-18(3)35-28-22)11-21(23)26(32)29(4)14-24(16)33-5/h8-11,16-17,19,24H,6-7,12-15H2,1-5H3,(H,27,31)/t16-,17+,24-/m0/s1" ; chebi:inchikey "VFFXTZRIOLHXNX-SRGWNRLKSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102126" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_102127 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C21H21F2N3O4" ; chebi:inchi "InChI=1S/C21H21F2N3O4/c22-14-7-13(8-15(23)9-14)11-25-20(28)10-16-4-5-17(19(12-27)30-16)26-21(29)18-3-1-2-6-24-18/h1-9,16-17,19,27H,10-12H2,(H,25,28)(H,26,29)/t16-,17-,19-/m1/s1" ; chebi:inchikey "UVJMALWFIRFJAR-ZHALLVOQSA-N" ; chebi:mass "417.407" ; chebi:monoisotopicmass "417.15001" ; chebi:smiles "C1=CC=NC(=C1)C(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC(=C3)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102127" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide" . obo:CHEBI_102128 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c23-13-19-18(22-28(25,26)14-15-5-2-1-3-6-15)10-9-17(27-19)11-12-21-20(24)16-7-4-8-16/h1-3,5-6,16-19,22-23H,4,7-14H2,(H,21,24)/t17-,18-,19+/m1/s1" ; chebi:inchikey "FGKXCNJDDMNFOM-QRVBRYPASA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "C1CC(C1)C(=O)NCC[C@H]2CC[C@H]([C@@H](O2)CO)NS(=O)(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102128" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide" . obo:CHEBI_102129 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-14(2)27-22(32)30-10-15(3)20(35-6)11-29(5)21(31)18-9-17(7-8-19(18)36-12-16(30)4)28-37(33,34)13-23(24,25)26/h7-9,14-16,20,28H,10-13H2,1-6H3,(H,27,32)/t15-,16+,20+/m1/s1" ; chebi:inchikey "XOJAHRJNCMVABE-GUXCAODWSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102129" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_10213 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25872 ; rdfs:subClassOf obo:CHEBI_35681 . _:b189 rdf:type owl:Restriction . obo:CHEBI_10213 rdfs:subClassOf _:b189 . _:b189 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_35711 . obo:CHEBI_10213 obo:IAO_0000115 "A pentacyclic triterpenoid that is ursane which contains a double bond between positions 12 and 13 and in which the hydrogen at the 3beta position is substituted by a hydroxy group." ; chebi:charge "0" ; chebi:formula "C30H50O" ; chebi:inchi "InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1" ; chebi:inchikey "FSLPMRQHCOLESF-SFMCKYFRSA-N" ; chebi:mass "426.71740" ; chebi:monoisotopicmass "426.38617" ; chebi:smiles "[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10213" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-amyrin" . obo:CHEBI_102130 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; rdfs:subClassOf obo:CHEBI_39447 ; rdfs:subClassOf obo:CHEBI_87228 . _:b190 rdf:type owl:Restriction . obo:CHEBI_102130 rdfs:subClassOf _:b190 . _:b190 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35441 . _:b191 rdf:type owl:Restriction . obo:CHEBI_102130 rdfs:subClassOf _:b191 . _:b191 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_88188 . _:b192 rdf:type owl:Restriction . obo:CHEBI_102130 rdfs:subClassOf _:b192 . _:b192 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_45373 . obo:CHEBI_102130 obo:IAO_0000115 "A sulfonamide consisting of pyrimidine with a methyl substituent at the 4-position and a 4-aminobenzenesulfonamido group at the 2-position." ; chebi:charge "0" ; chebi:formula "C11H12N4O2S" ; chebi:inchi "InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)" ; chebi:inchikey "QPPBRPIAZZHUNT-UHFFFAOYSA-N" ; chebi:mass "264.30400" ; chebi:monoisotopicmass "264.06810" ; chebi:smiles "Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102130" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "sulfamerazine" . obo:CHEBI_102131 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_102167 . _:b193 rdf:type owl:Restriction . obo:CHEBI_102131 rdfs:subClassOf _:b193 . _:b193 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_102030 . obo:CHEBI_102131 obo:IAO_0000115 "An N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine that is the (S)-enantiomer of talarozole. The racemate is used for the treatment of keratinization disorders, psoriasis and acne." ; chebi:charge "0" ; chebi:formula "C21H23N5S" ; chebi:inchi "InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)/t20-/m0/s1" ; chebi:inchikey "SNFYYXUGUBUECJ-FQEVSTJZSA-N" ; chebi:mass "377.508" ; chebi:monoisotopicmass "377.16742" ; chebi:smiles "C1=C(C=CC(=C1)[C@H](C(CC)CC)N2C=NC=N2)NC=3SC4=C(N3)C=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102131" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(S)-talarozole" . obo:CHEBI_102132 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O4" ; chebi:inchi "InChI=1S/C32H46N4O4/c1-23-20-36(18-17-25-11-7-5-8-12-25)24(2)22-40-29-16-15-27(34-32(38)33-26-13-9-6-10-14-26)19-28(29)31(37)35(3)21-30(23)39-4/h5,7-8,11-12,15-16,19,23-24,26,30H,6,9-10,13-14,17-18,20-22H2,1-4H3,(H2,33,34,38)/t23-,24-,30+/m0/s1" ; chebi:inchikey "ONZMGLOOFFOJCP-FOUYOVOOSA-N" ; chebi:mass "550.733" ; chebi:monoisotopicmass "550.35191" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3CCCCC3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102132" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102133 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C27H34N4O5S" ; chebi:inchi "InChI=1S/C27H34N4O5S/c1-19-13-31(20(2)16-32)27(33)24-12-8-7-11-23(24)22-10-6-5-9-21(22)17-36-25(19)14-30(4)37(34,35)26-15-29(3)18-28-26/h5-12,15,18-20,25,32H,13-14,16-17H2,1-4H3/t19-,20+,25+/m0/s1" ; chebi:inchikey "JSYMGQYFJZOBEJ-WZOHSFFVSA-N" ; chebi:mass "526.650" ; chebi:monoisotopicmass "526.22499" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102133" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13492" . obo:CHEBI_102134 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H30FN3O6S" ; chebi:inchi "InChI=1S/C20H30FN3O6S/c21-15-1-4-17(5-2-15)31(27,28)23-18-6-3-16(30-19(18)14-25)7-8-22-20(26)13-24-9-11-29-12-10-24/h1-2,4-5,16,18-19,23,25H,3,6-14H2,(H,22,26)/t16-,18-,19+/m1/s1" ; chebi:inchikey "JNXYUDJSGYXBCY-QRQLOZEOSA-N" ; chebi:mass "459.534" ; chebi:monoisotopicmass "459.18394" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CCNC(=O)CN2CCOCC2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102134" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide" . obo:CHEBI_102135 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29-8-10-30(11-9-29)25(33)15-19-14-21-20-13-18(28-24(32)12-17-4-6-27-7-5-17)2-3-22(20)35-26(21)23(16-31)34-19/h2-7,13,19,21,23,26,31H,8-12,14-16H2,1H3,(H,28,32)/t19-,21-,23-,26+/m1/s1" ; chebi:inchikey "LVKYMQHIUYSGLY-INZVZTLUSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102135" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide" . obo:CHEBI_102136 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H29F2N3O5" ; chebi:inchi "InChI=1S/C25H29F2N3O5/c1-30(2)12-24(33)29-16-4-6-21-18(8-16)19-9-17(34-22(13-31)25(19)35-21)10-23(32)28-11-14-7-15(26)3-5-20(14)27/h3-8,17,19,22,25,31H,9-13H2,1-2H3,(H,28,32)(H,29,33)/t17-,19-,22-,25+/m0/s1" ; chebi:inchikey "PTZKUMYBXIPSAJ-DOPDFTPFSA-N" ; chebi:mass "489.513" ; chebi:monoisotopicmass "489.20753" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102136" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_102137 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H30N2O7" ; chebi:inchi "InChI=1S/C29H30N2O7/c32-17-27-24(31-29(34)20-8-13-25-26(14-20)36-18-35-25)12-11-23(38-27)15-28(33)30-16-19-6-9-22(10-7-19)37-21-4-2-1-3-5-21/h1-10,13-14,23-24,27,32H,11-12,15-18H2,(H,30,33)(H,31,34)/t23-,24-,27+/m0/s1" ; chebi:inchikey "IKYPBPDRSBKALY-NLJOTIRTSA-N" ; chebi:mass "518.559" ; chebi:monoisotopicmass "518.20530" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102137" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102138 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O8" ; chebi:inchi "InChI=1S/C30H30N2O8/c1-36-23-5-3-2-4-18(23)14-31-28(34)13-20-12-22-21-11-19(7-9-24(21)40-29(22)27(15-33)39-20)32-30(35)17-6-8-25-26(10-17)38-16-37-25/h2-11,20,22,27,29,33H,12-16H2,1H3,(H,31,34)(H,32,35)/t20-,22-,27+,29+/m1/s1" ; chebi:inchikey "IQCMSFSSZNINGU-NFSGWUAQSA-N" ; chebi:mass "546.569" ; chebi:monoisotopicmass "546.20022" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102138" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102139 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H27N3O6" ; chebi:inchi "InChI=1S/C24H27N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-11,15,18-19,22,28H,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18-,19-,22+/m1/s1" ; chebi:inchikey "UDMIDSQAUXVXMN-YHFKFMBFSA-N" ; chebi:mass "453.489" ; chebi:monoisotopicmass "453.18999" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102139" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_10214 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38092 ; chebi:charge "0" ; chebi:formula "C29H42O11" ; chebi:inchi "InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1" ; chebi:inchikey "MFIXZHBJWSBQJA-OZQKXHGLSA-N" ; chebi:mass "566.638" ; chebi:monoisotopicmass "566.27271" ; chebi:smiles "C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4C[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10214" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Antiarin" . obo:CHEBI_102140 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H37FN4O3" ; chebi:inchi "InChI=1S/C29H37FN4O3/c1-21(17-34(22(2)20-35)29(36)32-26-14-12-25(30)13-15-26)28(37-4)19-33(3)18-23-8-10-24(11-9-23)27-7-5-6-16-31-27/h5-16,21-22,28,35H,17-20H2,1-4H3,(H,32,36)/t21-,22-,28-/m1/s1" ; chebi:inchikey "XSSRKRLNCLGOQF-DQCZWYHMSA-N" ; chebi:mass "508.629" ; chebi:monoisotopicmass "508.28497" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC=C(C=C2)C3=CC=CC=N3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102140" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea" . obo:CHEBI_102141 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H35N5O6" ; chebi:inchi "InChI=1S/C27H35N5O6/c1-16-21(14-31(2)30-16)29-25(33)13-19-5-6-22-24(38-19)15-37-23-7-4-18(12-20(23)27(35)32(22)3)28-26(34)17-8-10-36-11-9-17/h4,7,12,14,17,19,22,24H,5-6,8-11,13,15H2,1-3H3,(H,28,34)(H,29,33)/t19-,22-,24-/m1/s1" ; chebi:inchikey "KFDLRFOLOVMTJG-ZFJSRUIDSA-N" ; chebi:mass "525.598" ; chebi:monoisotopicmass "525.25873" ; chebi:smiles "CC1=NN(C=C1NC(=O)C[C@H]2CC[C@@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102141" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102142 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H27NO8S" ; chebi:inchi "InChI=1S/C19H27NO8S/c1-25-16-5-3-4-6-18(16)29(23,24)20-10-13(21)11-27-12-17-15(20)8-7-14(28-17)9-19(22)26-2/h3-6,13-15,17,21H,7-12H2,1-2H3/t13-,14+,15+,17-/m0/s1" ; chebi:inchikey "WAKYUTRBASZCGN-HWMZRRJGSA-N" ; chebi:mass "429.486" ; chebi:monoisotopicmass "429.14574" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)OC)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102142" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_102143 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H31FN2O6S" ; chebi:inchi "InChI=1S/C26H31FN2O6S/c27-16-6-9-20(10-7-16)36(32,33)29-18-8-11-23-21(12-18)22-13-19(34-24(15-30)26(22)35-23)14-25(31)28-17-4-2-1-3-5-17/h6-12,17,19,22,24,26,29-30H,1-5,13-15H2,(H,28,31)/t19-,22-,24-,26+/m0/s1" ; chebi:inchikey "SGAJFFANPLXWDT-CLKGCZJISA-N" ; chebi:mass "518.600" ; chebi:monoisotopicmass "518.18869" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102143" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_102144 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-39-29(21)18-33(3)31(37)32-27-15-9-10-16-28(27)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22-,29+/m1/s1" ; chebi:inchikey "ONXKQUJAHGZTDG-QLVXXPONSA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC=C4OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102144" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13503" . obo:CHEBI_102145 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H35N3O5S2" ; chebi:inchi "InChI=1S/C30H35N3O5S2/c1-20-15-33(21(2)17-34)30(35)29-28(25-11-7-8-12-26(25)32(29)4)24-10-6-5-9-22(24)18-38-27(20)16-31(3)40(36,37)23-13-14-39-19-23/h5-14,19-21,27,34H,15-18H2,1-4H3/t20-,21+,27-/m0/s1" ; chebi:inchikey "XFTZCOPLMXQWPM-ISCCLHIJSA-N" ; chebi:mass "581.749" ; chebi:monoisotopicmass "581.20181" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CSC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102145" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13504" . obo:CHEBI_102146 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H26FN3O4" ; chebi:inchi "InChI=1S/C23H26FN3O4/c1-4-19(29)27-20-16(17(12-28)21(27)23(31)25(2)3)11-26-18(20)10-9-15(22(26)30)13-5-7-14(24)8-6-13/h5-10,16-17,20-21,28H,4,11-12H2,1-3H3/t16-,17-,20+,21-/m0/s1" ; chebi:inchikey "OMUHXYIQFYOIMG-PZBISTMVSA-N" ; chebi:mass "427.470" ; chebi:monoisotopicmass "427.19073" ; chebi:smiles "CCC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]([C@H]1C(=O)N(C)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102146" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(4-fluorophenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102147 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C21H23N3O4" ; chebi:inchi "InChI=1S/C21H23N3O4/c25-14-19-18(24-20(26)11-15-5-4-10-22-13-15)9-8-17(28-19)12-21(27)23-16-6-2-1-3-7-16/h1-10,13,17-19,25H,11-12,14H2,(H,23,27)(H,24,26)/t17-,18+,19-/m1/s1" ; chebi:inchikey "XLYDKAUYLYXOHP-CEXWTWQISA-N" ; chebi:mass "381.426" ; chebi:monoisotopicmass "381.16886" ; chebi:smiles "C1=CC=C(C=C1)NC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102147" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide" . obo:CHEBI_102148 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C21H26N4O4" ; chebi:inchi "InChI=1S/C21H26N4O4/c26-11-15-17-10-24-16(5-4-6-18(24)27)20(25(17)9-14-12-29-13-22-14)19(15)21(28)23-7-2-1-3-8-23/h4-6,12-13,15,17,19-20,26H,1-3,7-11H2/t15-,17-,19+,20+/m1/s1" ; chebi:inchikey "PJVBFVCJEZYLHS-BEKAIBRUSA-N" ; chebi:mass "398.456" ; chebi:monoisotopicmass "398.19541" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3CC5=COC=N5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102148" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13507" . obo:CHEBI_102149 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-35-23-9-5-8-22(16-23)30-28(34)31-25-15-14-24(36-26(25)18-32)17-27(33)29-21-12-10-20(11-13-21)19-6-3-2-4-7-19/h2-16,24-26,32H,17-18H2,1H3,(H,29,33)(H2,30,31,34)/t24-,25+,26-/m0/s1" ; chebi:inchikey "HIZAXMBYTZOIAT-NXCFDTQHSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102149" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_10215 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28425 ; owl:deprecated true . obo:CHEBI_102150 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C20H30F3N3O7S2" ; chebi:inchi "InChI=1S/C20H30F3N3O7S2/c1-13-9-26(35(30,31)12-20(21,22)23)14(2)11-33-17-8-15(24-34(5,28)29)6-7-16(17)19(27)25(3)10-18(13)32-4/h6-8,13-14,18,24H,9-12H2,1-5H3/t13-,14-,18-/m1/s1" ; chebi:inchikey "VQJJHIQYBNZNQX-HBUWYVDXSA-N" ; chebi:mass "545.596" ; chebi:monoisotopicmass "545.14773" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)CC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102150" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2,2,2-trifluoroethylsulfonyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_102151 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C21H28Cl2N2O6" ; chebi:inchi "InChI=1S/C21H28Cl2N2O6/c1-29-5-4-24-20(27)9-17-2-3-18-19(31-17)12-30-11-16(26)10-25(18)21(28)13-6-14(22)8-15(23)7-13/h6-8,16-19,26H,2-5,9-12H2,1H3,(H,24,27)/t16-,17-,18+,19-/m1/s1" ; chebi:inchikey "GXFSXISHSMAVNQ-AKHDSKFASA-N" ; chebi:mass "475.364" ; chebi:monoisotopicmass "474.13244" ; chebi:smiles "COCCNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102151" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102152 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H41N3O5" ; chebi:inchi "InChI=1S/C31H41N3O5/c1-20(2)18-39-31(37)32(5)16-27-21(3)15-34(22(4)17-35)30(36)29-28(24-12-8-7-11-23(24)19-38-27)25-13-9-10-14-26(25)33(29)6/h7-14,20-22,27,35H,15-19H2,1-6H3/t21-,22-,27+/m1/s1" ; chebi:inchikey "QLIZXZIZGKFZES-LOYIFYEOSA-N" ; chebi:mass "535.676" ; chebi:monoisotopicmass "535.30462" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OCC(C)C)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102152" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13511" . obo:CHEBI_102153 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H30N6O4" ; chebi:inchi "InChI=1S/C24H30N6O4/c1-28(2)23(33)20-17(12-31)19-11-29-18(8-7-16(22(29)32)14-9-25-13-26-10-14)21(20)30(19)24(34)27-15-5-3-4-6-15/h7-10,13,15,17,19-21,31H,3-6,11-12H2,1-2H3,(H,27,34)/t17-,19-,20+,21+/m1/s1" ; chebi:inchikey "IOQXCYVHGHXSII-PBASOCQRSA-N" ; chebi:mass "466.534" ; chebi:monoisotopicmass "466.23285" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CN=CN=C4)[C@@H]1N2C(=O)NC5CCCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102153" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13512" . obo:CHEBI_102154 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51569 ; chebi:charge "0" ; chebi:formula "C27H30N2O5" ; chebi:inchi "InChI=1S/C27H30N2O5/c1-34-27(33)24-21(16-30)20-15-28-22(23(20)29(24)26(32)18-9-5-6-10-18)14-13-19(25(28)31)12-11-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,20-21,23-24,30H,5-6,9-10,15-16H2,1H3/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "SPQKGDIXEATJCL-ZQRMPTRQSA-N" ; chebi:mass "462.539" ; chebi:monoisotopicmass "462.21547" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]2N1C(=O)C5CCCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102154" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13513" . obo:CHEBI_102155 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-9-10-23-24(13-22)36-18-20(3)32(16-21-8-7-12-28-14-21)15-19(2)25(35-5)17-31(4)26(23)33/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25-/m1/s1" ; chebi:inchikey "CHKBOEGZXMMFCS-OHUGHZGNSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CC3=CN=CC=C3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102155" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_102156 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O3" ; chebi:inchi "InChI=1S/C27H36N2O3/c1-19-14-29(20(2)17-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-22(23)18-32-26(19)16-28(3)15-21-12-13-21/h4-11,19-21,26,30H,12-18H2,1-3H3/t19-,20+,26-/m0/s1" ; chebi:inchikey "XOTAGUVNSWBDBY-UNVFRBQDSA-N" ; chebi:mass "436.587" ; chebi:monoisotopicmass "436.27259" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4CC4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102156" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13515" . obo:CHEBI_102157 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H29N3O5" ; chebi:inchi "InChI=1S/C29H29N3O5/c33-17-26-28-24(13-22(36-26)14-27(34)32-11-9-18-4-1-2-5-20(18)16-32)23-12-21(7-8-25(23)37-28)31-29(35)19-6-3-10-30-15-19/h1-8,10,12,15,22,24,26,28,33H,9,11,13-14,16-17H2,(H,31,35)/t22-,24-,26+,28+/m0/s1" ; chebi:inchikey "AAXDVORIQTTZBB-SFNAGVRGSA-N" ; chebi:mass "499.559" ; chebi:monoisotopicmass "499.21072" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@@H]4[C@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CN=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102157" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_102158 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O5" ; chebi:inchi "InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23-,29+,30+/m0/s1" ; chebi:inchikey "DVGPQCDULGSEFB-QWTJTPASSA-N" ; chebi:mass "530.656" ; chebi:monoisotopicmass "530.27807" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102158" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13517" . obo:CHEBI_102159 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H20FNO6S" ; chebi:inchi "InChI=1S/C15H20FNO6S/c1-22-15(19)8-10-6-7-12(13(9-18)23-10)17-24(20,21)14-5-3-2-4-11(14)16/h2-5,10,12-13,17-18H,6-9H2,1H3/t10-,12+,13+/m1/s1" ; chebi:inchikey "OBZPPVVKYJWSJI-WXHSDQCUSA-N" ; chebi:mass "361.387" ; chebi:monoisotopicmass "361.09954" ; chebi:smiles "COC(=O)C[C@H]1CC[C@@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102159" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester" . obo:CHEBI_10216 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35189 ; rdfs:subClassOf obo:CHEBI_35714 ; rdfs:subClassOf obo:CHEBI_35990 . _:b194 rdf:type owl:Restriction . obo:CHEBI_10216 rdfs:subClassOf _:b194 . _:b194 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . _:b195 rdf:type owl:Restriction . obo:CHEBI_10216 rdfs:subClassOf _:b195 . _:b195 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_36530 . obo:CHEBI_10216 obo:IAO_0000115 "A sesquiterpene that is cedrane which has a double bond between positions 8 and 9." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1" ; chebi:inchikey "IRAQOCYXUMOFCW-OSFYFWSMSA-N" ; chebi:mass "204.35106" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "[H][C@@]12CC[C@@H](C)[C@@]11CC=C(C)[C@H](C1)C2(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10216" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "cedr-8-ene" . obo:CHEBI_102160 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H24N4O6" ; chebi:inchi "InChI=1S/C21H24N4O6/c26-11-19-15(25-20(27)13-1-4-17-18(9-13)30-12-29-17)3-2-14(31-19)5-6-24-21(28)16-10-22-7-8-23-16/h1,4,7-10,14-15,19,26H,2-3,5-6,11-12H2,(H,24,28)(H,25,27)/t14-,15-,19+/m1/s1" ; chebi:inchikey "OAEJMSHQDKFBTQ-CLCXKQKWSA-N" ; chebi:mass "428.439" ; chebi:monoisotopicmass "428.16958" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CCNC(=O)C2=NC=CN=C2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102160" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6R)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_102161 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24-,25-,31-/m0/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-OSYMNAPVSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102161" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13520" . obo:CHEBI_102162 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c25-18-3-1-2-16(10-18)12-27-23(30)11-20-4-5-21-22(33-20)15-32-14-19(29)13-28(21)24(31)17-6-8-26-9-7-17/h1-3,6-10,19-22,29H,4-5,11-15H2,(H,27,30)/t19-,20+,21+,22-/m0/s1" ; chebi:inchikey "VWRSVZSWDSMGOW-CBPXPLCBSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)C3=CC=NC=C3)O)O[C@H]1CC(=O)NCC4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102162" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_102163 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H34N4O6S" ; chebi:inchi "InChI=1S/C30H34N4O6S/c1-20-3-7-24(8-4-20)41(37,38)33-22-5-10-27-25(17-22)30(36)34(2)26-9-6-23(40-28(26)19-39-27)18-29(35)32-16-13-21-11-14-31-15-12-21/h3-5,7-8,10-12,14-15,17,23,26,28,33H,6,9,13,16,18-19H2,1-2H3,(H,32,35)/t23-,26+,28+/m1/s1" ; chebi:inchikey "KPGMTKVYFCJESC-KHGZIGHDSA-N" ; chebi:mass "578.681" ; chebi:monoisotopicmass "578.21991" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@@H](O4)CC(=O)NCCC5=CC=NC=C5)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102163" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102164 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-16(17-7-3-2-4-8-17)25-23(29)14-19-10-11-20(21(15-27)30-19)26-22(28)13-18-9-5-6-12-24-18/h2-12,16,19-21,27H,13-15H2,1H3,(H,25,29)(H,26,28)/t16-,19-,20+,21-/m1/s1" ; chebi:inchikey "GWEQQAXOIQTOQH-RZXSNQJFSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102164" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102165 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H33N5O5" ; chebi:inchi "InChI=1S/C26H33N5O5/c32-20-16-31(26(34)22-15-27-8-9-28-22)23-7-6-21(36-24(23)18-35-17-20)14-25(33)30-12-10-29(11-13-30)19-4-2-1-3-5-19/h1-5,8-9,15,20-21,23-24,32H,6-7,10-14,16-18H2/t20-,21+,23+,24-/m1/s1" ; chebi:inchikey "LCHNJAZNAXXEPD-AWAHEQQVSA-N" ; chebi:mass "495.572" ; chebi:monoisotopicmass "495.24817" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@@H]1CC(=O)N4CCN(CC4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102165" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_102166 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22693 . _:b196 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b196 . _:b196 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35623 . _:b197 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b197 . _:b197 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35703 . _:b198 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b198 . _:b198 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35717 . _:b199 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b199 . _:b199 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_38877 . _:b200 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b200 . _:b200 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_78298 . _:b201 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b201 . _:b201 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_88188 . _:b202 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b202 . _:b202 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33202 . _:b203 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b203 . _:b203 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_61485 . obo:CHEBI_102166 obo:IAO_0000115 "A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups." ; chebi:charge "0" ; chebi:formula "C11H18N2O2S" ; chebi:inchi "InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)" ; chebi:inchikey "IUJDSEJGGMCXSG-UHFFFAOYSA-N" ; chebi:mass "242.33800" ; chebi:monoisotopicmass "242.10890" ; chebi:smiles "CCCC(C)C1(CC)C(=O)NC(=S)NC1=O" ; oboInOwl:hasAlternativeId "CHEBI:9560" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102166" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "thiopental" . obo:CHEBI_102167 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; rdfs:subClassOf obo:CHEBI_35727 ; rdfs:subClassOf obo:CHEBI_37947 ; rdfs:subClassOf obo:CHEBI_50995 ; obo:IAO_0000115 "A member of the class of benzothiazoles that is 2-amino-1,3-benzothiazole in which one of the amino hydrogens is replaced by a 4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl group." ; chebi:charge "0" ; chebi:formula "C21H23N5S" ; chebi:inchi "InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)" ; chebi:inchikey "SNFYYXUGUBUECJ-UHFFFAOYSA-N" ; chebi:mass "377.508" ; chebi:monoisotopicmass "377.16742" ; chebi:smiles "C1=C(C=CC(=C1)C(C(CC)CC)N2C=NC=N2)NC=3SC4=C(N3)C=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102167" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine" . obo:CHEBI_102168 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31FN4O4" ; chebi:inchi "InChI=1S/C24H31FN4O4/c1-15-12-26-16(2)14-33-21-11-19(28-24(31)27-18-7-5-6-17(25)10-18)8-9-20(21)23(30)29(3)13-22(15)32-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16+,22-/m1/s1" ; chebi:inchikey "BTAIGOZCFZRKBT-ZMPRRUGASA-N" ; chebi:mass "458.527" ; chebi:monoisotopicmass "458.23293" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102168" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102169 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27N5O3" ; chebi:inchi "InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20+,22+/m1/s1" ; chebi:inchikey "HKZRXKNGDCOEMV-URVUXULASA-N" ; chebi:mass "421.493" ; chebi:monoisotopicmass "421.21139" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCN2C=C(N=N2)C3=CC=CC=C3)CO)NC(=O)CC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102169" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_10217 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26878 ; rdfs:subClassOf obo:CHEBI_36745 ; chebi:charge "0" ; chebi:formula "C15H26O" ; chebi:inchi "InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1" ; chebi:inchikey "SVURIXNDRWRAFU-OGMFBOKVSA-N" ; chebi:mass "222.36630" ; chebi:monoisotopicmass "222.19837" ; chebi:smiles "[H][C@@]12CC[C@@H](C)[C@@]11CC[C@@](C)(O)[C@H](C1)C2(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10217" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "cedrol" . obo:CHEBI_102170 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C24H28N4O4" ; chebi:inchi "InChI=1S/C24H28N4O4/c29-17-22-21(26-24(31)18-8-10-25-11-9-18)7-6-20(32-22)16-23(30)28-14-12-27(13-15-28)19-4-2-1-3-5-19/h1-11,20-22,29H,12-17H2,(H,26,31)/t20-,21-,22+/m0/s1" ; chebi:inchikey "BQXPJFPCKYJDQK-FDFHNCONSA-N" ; chebi:mass "436.504" ; chebi:monoisotopicmass "436.21106" ; chebi:smiles "C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@@H]([C@H](O3)CO)NC(=O)C4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102170" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_102171 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O5S" ; chebi:inchi "InChI=1S/C24H33N3O5S/c1-17-13-25-18(2)15-32-22-11-10-20(12-21(22)24(28)27(3)14-23(17)31-4)26-33(29,30)16-19-8-6-5-7-9-19/h5-12,17-18,23,25-26H,13-16H2,1-4H3/t17-,18-,23-/m0/s1" ; chebi:inchikey "ITUDOLAPOXZKHG-BSRJHKFKSA-N" ; chebi:mass "475.603" ; chebi:monoisotopicmass "475.21409" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102171" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide" . obo:CHEBI_102172 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C27H33N3O6" ; chebi:inchi "InChI=1S/C27H33N3O6/c1-30-22-10-9-20(16-25(31)28-12-13-34-2)36-24(22)17-35-23-11-8-19(15-21(23)27(30)33)29-26(32)14-18-6-4-3-5-7-18/h3-8,11,15,20,22,24H,9-10,12-14,16-17H2,1-2H3,(H,28,31)(H,29,32)/t20-,22-,24-/m1/s1" ; chebi:inchikey "CUJGJHGFROPBKV-KIFXHHALSA-N" ; chebi:mass "495.568" ; chebi:monoisotopicmass "495.23694" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CC=C4)CC(=O)NCCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102172" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102173 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5S" ; chebi:inchi "InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(25-13-7-9-15-27(25)35(31)4)24-12-6-5-11-23(24)20-41-28(21)18-34(3)42(39,40)29-16-10-8-14-26(29)33/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28-/m1/s1" ; chebi:inchikey "PCQGWFREXHAZIT-RZIGYZOXSA-N" ; chebi:mass "593.711" ; chebi:monoisotopicmass "593.23597" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102173" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13531" . obo:CHEBI_102174 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H26N2O3" ; chebi:inchi "InChI=1S/C22H26N2O3/c23-13-19-21(17-7-5-16(6-8-17)15-3-1-2-4-15)20(14-25)24(19)22(26)18-9-11-27-12-10-18/h3,5-8,18-21,25H,1-2,4,9-12,14H2/t19-,20+,21-/m0/s1" ; chebi:inchikey "RYSHWXRXFKBMCF-HBMCJLEFSA-N" ; chebi:mass "366.454" ; chebi:monoisotopicmass "366.19434" ; chebi:smiles "C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@H](N([C@H]3C#N)C(=O)C4CCOCC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102174" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile" . obo:CHEBI_102175 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H30N4O4" ; chebi:inchi "InChI=1S/C29H30N4O4/c34-17-23-22-16-32-24(9-8-21(29(32)37)19-4-2-1-3-5-19)25(22)33(28(36)20-6-7-20)26(23)27(35)31-15-12-18-10-13-30-14-11-18/h1-5,8-11,13-14,20,22-23,25-26,34H,6-7,12,15-17H2,(H,31,35)/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "OYSHQHUZVWGKJD-LJCOXQHRSA-N" ; chebi:mass "498.574" ; chebi:monoisotopicmass "498.22671" ; chebi:smiles "C1CC1C(=O)N2[C@@H]3[C@@H](CN4C3=CC=C(C4=O)C5=CC=CC=C5)[C@@H]([C@H]2C(=O)NCCC6=CC=NC=C6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102175" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-phenyl-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102176 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H25F2N3O5" ; chebi:inchi "InChI=1S/C27H25F2N3O5/c28-17-3-5-22(29)16(8-17)13-31-25(34)11-19-10-21-20-9-18(32-27(35)15-2-1-7-30-12-15)4-6-23(20)37-26(21)24(14-33)36-19/h1-9,12,19,21,24,26,33H,10-11,13-14H2,(H,31,34)(H,32,35)/t19-,21+,24+,26-/m1/s1" ; chebi:inchikey "MRHMXTIRULDPKA-ZHRNDHIYSA-N" ; chebi:mass "509.502" ; chebi:monoisotopicmass "509.17623" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102176" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_102177 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_25248 ; rdfs:subClassOf obo:CHEBI_26979 ; chebi:charge "0" ; chebi:formula "C24H26N2O5" ; chebi:inchi "InChI=1S/C24H26N2O5/c1-31-24(30)22-18(13-27)17-12-25-19(21(17)26(22)20(28)11-14-7-8-14)10-9-16(23(25)29)15-5-3-2-4-6-15/h2-6,9-10,14,17-18,21-22,27H,7-8,11-13H2,1H3/t17-,18-,21+,22-/m0/s1" ; chebi:inchikey "GLQBIINCSVPTPJ-HXHBTQRASA-N" ; chebi:mass "422.475" ; chebi:monoisotopicmass "422.18417" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]2N1C(=O)CC5CC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102177" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-(2-cyclopropyl-1-oxoethyl)-3-(hydroxymethyl)-6-oxo-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_102178 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29-8-10-30(11-9-29)25(33)15-19-14-21-20-13-18(28-24(32)12-17-4-6-27-7-5-17)2-3-22(20)35-26(21)23(16-31)34-19/h2-7,13,19,21,23,26,31H,8-12,14-16H2,1H3,(H,28,32)/t19-,21+,23-,26-/m0/s1" ; chebi:inchikey "LVKYMQHIUYSGLY-OXPRRSNCSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102178" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide" . obo:CHEBI_102179 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C24H28N4O4" ; chebi:inchi "InChI=1S/C24H28N4O4/c29-17-22-21(26-24(31)18-8-10-25-11-9-18)7-6-20(32-22)16-23(30)28-14-12-27(13-15-28)19-4-2-1-3-5-19/h1-11,20-22,29H,12-17H2,(H,26,31)/t20-,21-,22-/m0/s1" ; chebi:inchikey "BQXPJFPCKYJDQK-FKBYEOEOSA-N" ; chebi:mass "436.504" ; chebi:monoisotopicmass "436.21106" ; chebi:smiles "C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@@H]([C@@H](O3)CO)NC(=O)C4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102179" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_10218 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28676 ; owl:deprecated true . obo:CHEBI_102180 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23+,29-/m0/s1" ; chebi:inchikey "VHDWJFVGOVHSLC-CTWZREHQSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102180" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13538" . obo:CHEBI_102181 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H46N4O4" ; chebi:inchi "InChI=1S/C30H46N4O4/c1-22-18-34(23(2)21-35)30(36)27-17-26(32(4)5)10-11-28(27)38-24(3)9-7-8-16-37-29(22)20-33(6)19-25-12-14-31-15-13-25/h10-15,17,22-24,29,35H,7-9,16,18-21H2,1-6H3/t22-,23+,24+,29+/m0/s1" ; chebi:inchikey "ZQLCRBSTGDSWQO-CMSZEEODSA-N" ; chebi:mass "526.712" ; chebi:monoisotopicmass "526.35191" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102181" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_102182 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H34F3N3O4" ; chebi:inchi "InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-41-28(20)17-36(3)30(40)35-27-15-9-8-14-26(27)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21-,28-/m0/s1" ; chebi:inchikey "AAENOGRDWGDRJO-CZBREUMFSA-N" ; chebi:mass "569.616" ; chebi:monoisotopicmass "569.25014" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC=C4C(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102182" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13540" . obo:CHEBI_102183 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H32FN3O5" ; chebi:inchi "InChI=1S/C23H32FN3O5/c1-25-8-10-26(11-9-25)22(29)12-17-6-7-20-21(32-17)15-31-14-16(28)13-27(20)23(30)18-4-2-3-5-19(18)24/h2-5,16-17,20-21,28H,6-15H2,1H3/t16-,17+,20+,21-/m1/s1" ; chebi:inchikey "JLPSQBARJGYMKN-SQBLYHGDSA-N" ; chebi:mass "449.517" ; chebi:monoisotopicmass "449.23260" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)C4=CC=CC=C4F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102183" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_102184 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-11-6-5-10-20(21)25)22(33-4)14-27(3)34(31,32)19-9-7-8-18(24)12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22-/m1/s1" ; chebi:inchikey "QUGGTUJVTWBVOW-HYFFOGBASA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102184" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-4-[(3-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_102185 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O6" ; chebi:inchi "InChI=1S/C27H32N2O6/c1-33-19-8-5-16(6-9-19)14-28-25(31)13-20-12-22-21-11-18(29-27(32)17-3-2-4-17)7-10-23(21)35-26(22)24(15-30)34-20/h5-11,17,20,22,24,26,30H,2-4,12-15H2,1H3,(H,28,31)(H,29,32)/t20-,22+,24-,26-/m1/s1" ; chebi:inchikey "QQFSWHWRRZLIPD-FWSIMYTDSA-N" ; chebi:mass "480.554" ; chebi:monoisotopicmass "480.22604" ; chebi:smiles "COC1=CC=C(C=C1)CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102185" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_102186 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C30H33N5O5" ; chebi:inchi "InChI=1S/C30H33N5O5/c1-18(2)19-5-4-6-20(13-19)33-28(36)15-22-8-9-25-27(40-22)17-39-26-10-7-21(14-23(26)30(38)35(25)3)34-29(37)24-16-31-11-12-32-24/h4-7,10-14,16,18,22,25,27H,8-9,15,17H2,1-3H3,(H,33,36)(H,34,37)/t22-,25+,27-/m1/s1" ; chebi:inchikey "RRAKYIDNKDNDJG-BUALBWRZSA-N" ; chebi:mass "543.615" ; chebi:monoisotopicmass "543.24817" ; chebi:smiles "CC(C)C1=CC(=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=NC=CN=C5)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102186" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(3-propan-2-ylanilino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102187 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C36H41N5O3S" ; chebi:inchi "InChI=1S/C36H41N5O3S/c1-36(2,3)45(44)41-23-29-20-31(35(43)38-30-14-17-40(24-30)22-25-9-5-4-6-10-25)39-34(33(29)32(41)15-18-42)27-12-7-11-26(19-27)28-13-8-16-37-21-28/h4-13,16,19-21,30,32,42H,14-15,17-18,22-24H2,1-3H3,(H,38,43)/t30-,32+,45+/m1/s1" ; chebi:inchikey "OXCAKDYULKMTMJ-AECJBDNTSA-N" ; chebi:mass "623.810" ; chebi:monoisotopicmass "623.29301" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102187" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102188 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-17(2)27(33)30-19-7-12-24-22(13-19)28(34)31(3)23-11-10-21(37-25(23)16-36-24)14-26(32)29-15-18-5-8-20(35-4)9-6-18/h5-9,12-13,17,21,23,25H,10-11,14-16H2,1-4H3,(H,29,32)(H,30,33)/t21-,23+,25-/m1/s1" ; chebi:inchikey "WOMWNJCZYVCUPK-NMVJMZGASA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)OC)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102188" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide" . obo:CHEBI_102189 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_26979 ; chebi:charge "0" ; chebi:formula "C25H24N4O6" ; chebi:inchi "InChI=1S/C25H24N4O6/c1-34-20-6-4-3-5-14(20)15-7-8-19-21-16(12-28(19)23(15)31)17(13-30)22(25(33)35-2)29(21)24(32)18-11-26-9-10-27-18/h3-11,16-17,21-22,30H,12-13H2,1-2H3/t16-,17-,21+,22-/m1/s1" ; chebi:inchikey "PJQVGEWXXVLMPO-FTIBCMOBSA-N" ; chebi:mass "476.482" ; chebi:monoisotopicmass "476.16958" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C3[C@@H]4[C@H](CN3C2=O)[C@H]([C@@H](N4C(=O)C5=NC=CN=C5)C(=O)OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102189" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1-[oxo(2-pyrazinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_10219 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_61655 ; chebi:charge "0" ; chebi:formula "C45H73NO14" ; chebi:inchi "InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1" ; chebi:inchikey "TYNQWWGVEGFKRU-AJDPQWBVSA-N" ; chebi:mass "852.061" ; chebi:monoisotopicmass "851.50311" ; chebi:smiles "C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10219" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Chaconine" . obo:CHEBI_102190 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H37N3O5" ; chebi:inchi "InChI=1S/C29H37N3O5/c1-18(19-8-4-2-5-9-19)30-27(34)16-22-15-24-23-14-21(32-29(35)31-20-10-6-3-7-11-20)12-13-25(23)37-28(24)26(17-33)36-22/h2,4-5,8-9,12-14,18,20,22,24,26,28,33H,3,6-7,10-11,15-17H2,1H3,(H,30,34)(H2,31,32,35)/t18-,22+,24+,26+,28-/m0/s1" ; chebi:inchikey "CGDALBMFLMENHX-PHOYKXCNSA-N" ; chebi:mass "507.622" ; chebi:monoisotopicmass "507.27332" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102190" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102191 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37FN4O5" ; chebi:inchi "InChI=1S/C28H37FN4O5/c1-6-13-30-28(36)31-20-11-12-24-22(14-20)26(34)32(4)16-25(37-5)18(2)15-33(19(3)17-38-24)27(35)21-9-7-8-10-23(21)29/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H2,30,31,36)/t18-,19+,25+/m0/s1" ; chebi:inchikey "IESMZGXEKVWDTA-OSWQYVSFSA-N" ; chebi:mass "528.617" ; chebi:monoisotopicmass "528.27480" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=C3F)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102191" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8S)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_102192 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H32N4O5S" ; chebi:inchi "InChI=1S/C29H32N4O5S/c1-33-24-6-5-21(16-27(34)31-13-10-19-8-11-30-12-9-19)38-26(24)18-37-25-7-4-20(15-23(25)29(33)36)32-28(35)17-22-3-2-14-39-22/h2-4,7-9,11-12,14-15,21,24,26H,5-6,10,13,16-18H2,1H3,(H,31,34)(H,32,35)/t21-,24+,26-/m1/s1" ; chebi:inchikey "OJLJDVMGKDSXAU-LJGDZFJRSA-N" ; chebi:mass "548.655" ; chebi:monoisotopicmass "548.20934" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102192" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102193 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C23H28N2O4" ; chebi:inchi "InChI=1S/C23H28N2O4/c26-19-13-24-21-11-10-20(29-22(21)15-28-14-19)12-23(27)25-18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-22,24,26H,10-15H2,(H,25,27)/t19-,20+,21+,22-/m1/s1" ; chebi:inchikey "UTTUQCGEIXLGEI-CLAROIROSA-N" ; chebi:mass "396.480" ; chebi:monoisotopicmass "396.20491" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102193" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_102194 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31FN4O4" ; chebi:inchi "InChI=1S/C24H31FN4O4/c1-15-12-26-16(2)14-33-21-11-19(28-24(31)27-18-7-5-6-17(25)10-18)8-9-20(21)23(30)29(3)13-22(15)32-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16+,22+/m0/s1" ; chebi:inchikey "BTAIGOZCFZRKBT-WJONJSRFSA-N" ; chebi:mass "458.527" ; chebi:monoisotopicmass "458.23293" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102194" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102195 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C30H41N3O4" ; chebi:inchi "InChI=1S/C30H41N3O4/c1-21-17-33(22(2)19-34)29(35)27-16-10-9-15-26(27)25-14-8-7-11-23(25)20-37-28(21)18-32(3)30(36)31-24-12-5-4-6-13-24/h7-11,14-16,21-22,24,28,34H,4-6,12-13,17-20H2,1-3H3,(H,31,36)/t21-,22-,28-/m0/s1" ; chebi:inchikey "FOMDXHZXOKRLRD-VPYPWEPUSA-N" ; chebi:mass "507.665" ; chebi:monoisotopicmass "507.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102195" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13553" . obo:CHEBI_102196 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-16-25(17(2)36-28-16)27-26(33)30-13-20(31)14-34-15-23-22(30)8-7-21(35-23)11-24(32)29-10-9-18-5-3-4-6-19(18)12-29/h3-6,20-23,31H,7-15H2,1-2H3,(H,27,33)/t20-,21-,22-,23+/m0/s1" ; chebi:inchikey "SVQJPVUULHSFBY-CWBXHPNXSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N4CCC5=CC=CC=C5C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102196" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102197 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H22N2O6" ; chebi:inchi "InChI=1S/C21H22N2O6/c24-11-18-21-16(9-14(28-18)10-20(26)27)15-8-13(1-2-17(15)29-21)23-19(25)7-12-3-5-22-6-4-12/h1-6,8,14,16,18,21,24H,7,9-11H2,(H,23,25)(H,26,27)/t14-,16-,18-,21+/m1/s1" ; chebi:inchikey "ZIYVXDMGZAADAL-OQBJRAFVSA-N" ; chebi:mass "398.410" ; chebi:monoisotopicmass "398.14779" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102197" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_102198 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25F2N3O5" ; chebi:inchi "InChI=1S/C24H25F2N3O5/c1-27-22(30)11-17-4-5-19-21(34-17)12-33-20-6-3-16(10-18(20)24(32)29(19)2)28-23(31)13-7-14(25)9-15(26)8-13/h3,6-10,17,19,21H,4-5,11-12H2,1-2H3,(H,27,30)(H,28,31)/t17-,19-,21-/m0/s1" ; chebi:inchikey "RQAOUBOGQGVTCU-CUWPLCDZSA-N" ; chebi:mass "473.470" ; chebi:monoisotopicmass "473.17623" ; chebi:smiles "CNC(=O)C[C@@H]1CC[C@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC(=CC(=C4)F)F)C(=O)N2C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102198" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide" . obo:CHEBI_102199 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H38N4O5S" ; chebi:inchi "InChI=1S/C30H38N4O5S/c1-21-9-12-26(13-10-21)40(36,37)32-24-11-14-27-28(16-24)39-20-23(3)34(18-25-8-6-7-15-31-25)17-22(2)29(38-5)19-33(4)30(27)35/h6-16,22-23,29,32H,17-20H2,1-5H3/t22-,23-,29-/m1/s1" ; chebi:inchikey "VIFLTFBPRKOVBZ-VDWGHMIBSA-N" ; chebi:mass "566.714" ; chebi:monoisotopicmass "566.25629" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)N(C[C@H]1OC)C)C)CC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102199" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_1022 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15745 ; owl:deprecated true . obo:CHEBI_10220 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h6-7H,5,8-11H2,1-4H3/t15-/m1/s1" ; chebi:inchikey "SIBCECUUMHIAAM-OAHLLOKOSA-N" ; chebi:mass "204.352" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "CC1=CC[C@@]2(CC1)C(C)=CCCC2(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10220" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Chamigrene" . obo:CHEBI_102200 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H32N2O5" ; chebi:inchi "InChI=1S/C24H32N2O5/c27-13-21-23-19(11-17(30-21)12-22(28)25-15-6-1-2-7-15)18-10-16(8-9-20(18)31-23)26-24(29)14-4-3-5-14/h8-10,14-15,17,19,21,23,27H,1-7,11-13H2,(H,25,28)(H,26,29)/t17-,19-,21+,23+/m0/s1" ; chebi:inchikey "MOMUNQNAFOIKEQ-VARILPKDSA-N" ; chebi:mass "428.522" ; chebi:monoisotopicmass "428.23112" ; chebi:smiles "C1CCC(C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102200" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-(cyclopentylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_102201 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H29F2N3O5" ; chebi:inchi "InChI=1S/C25H29F2N3O5/c1-30(2)12-24(33)29-16-4-6-21-18(8-16)19-9-17(34-22(13-31)25(19)35-21)10-23(32)28-11-14-7-15(26)3-5-20(14)27/h3-8,17,19,22,25,31H,9-13H2,1-2H3,(H,28,32)(H,29,33)/t17-,19-,22+,25+/m0/s1" ; chebi:inchikey "PTZKUMYBXIPSAJ-CMJNZLRFSA-N" ; chebi:mass "489.513" ; chebi:monoisotopicmass "489.20753" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102201" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_102202 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C28H30N4O7" ; chebi:inchi "InChI=1S/C28H30N4O7/c1-32-21-9-8-19(14-26(33)29-15-17-5-3-4-6-22(17)36-2)38-25(21)16-37-23-10-7-18(13-20(23)28(32)35)31-27(34)24-11-12-30-39-24/h3-7,10-13,19,21,25H,8-9,14-16H2,1-2H3,(H,29,33)(H,31,34)/t19-,21+,25-/m1/s1" ; chebi:inchikey "NHAXNTZRJLBPPG-FZOAFFARSA-N" ; chebi:mass "534.561" ; chebi:monoisotopicmass "534.21145" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=NO4)CC(=O)NCC5=CC=CC=C5OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102202" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-isoxazolecarboxamide" . obo:CHEBI_102203 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H30N4O7S" ; chebi:inchi "InChI=1S/C22H30N4O7S/c1-14-11-26(34(5,29)30)15(2)13-32-18-7-6-16(24-21(27)19-8-9-23-33-19)10-17(18)22(28)25(3)12-20(14)31-4/h6-10,14-15,20H,11-13H2,1-5H3,(H,24,27)/t14-,15+,20+/m0/s1" ; chebi:inchikey "CRZDWKBDRGRNEI-BXTJHSDWSA-N" ; chebi:mass "494.563" ; chebi:monoisotopicmass "494.18352" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=NO3)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102203" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide" . obo:CHEBI_102204 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25-,28-,30+/m0/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-FCJWUBJXSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102204" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_102205 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C19H33N3O5" ; chebi:inchi "InChI=1S/C19H33N3O5/c23-13-17-16(21-18(24)12-22-8-10-26-11-9-22)5-4-15(27-17)6-7-20-19(25)14-2-1-3-14/h14-17,23H,1-13H2,(H,20,25)(H,21,24)/t15-,16-,17+/m1/s1" ; chebi:inchikey "CARWJPWJJJMDHW-ZACQAIPSSA-N" ; chebi:mass "383.483" ; chebi:monoisotopicmass "383.24202" ; chebi:smiles "C1CC(C1)C(=O)NCC[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)CN3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102205" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]ethyl]cyclobutanecarboxamide" . obo:CHEBI_102206 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H28FN3O7" ; chebi:inchi "InChI=1S/C29H28FN3O7/c30-21-3-1-2-4-22(21)33-29(36)32-17-6-8-23-19(10-17)20-11-18(39-26(14-34)28(20)40-23)12-27(35)31-13-16-5-7-24-25(9-16)38-15-37-24/h1-10,18,20,26,28,34H,11-15H2,(H,31,35)(H2,32,33,36)/t18-,20+,26-,28-/m0/s1" ; chebi:inchikey "QUTKLMAKSFRFCA-QARCYOLKSA-N" ; chebi:mass "549.548" ; chebi:monoisotopicmass "549.19113" ; chebi:smiles "C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102206" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102207 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H23F4N3O3" ; chebi:inchi "InChI=1S/C22H23F4N3O3/c23-14-6-4-13(5-7-14)10-27-21(32)20-16(12-30)15-11-29-17(2-1-3-18(29)31)19(15)28(20)9-8-22(24,25)26/h1-7,15-16,19-20,30H,8-12H2,(H,27,32)/t15-,16-,19+,20-/m0/s1" ; chebi:inchikey "CPSLJULDKOVODL-FEHORTKBSA-N" ; chebi:mass "453.431" ; chebi:monoisotopicmass "453.16755" ; chebi:smiles "C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=CC(=O)N31)CCC(F)(F)F)C(=O)NCC4=CC=C(C=C4)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102207" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102208 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H41N3O5S" ; chebi:inchi "InChI=1S/C25H41N3O5S/c1-18-14-28(15-20-9-7-6-8-10-20)19(2)17-33-23-13-21(26-34(5,30)31)11-12-22(23)25(29)27(3)16-24(18)32-4/h11-13,18-20,24,26H,6-10,14-17H2,1-5H3/t18-,19-,24-/m1/s1" ; chebi:inchikey "DDFXZAACYDZOLE-KHCICDEESA-N" ; chebi:mass "495.677" ; chebi:monoisotopicmass "495.27669" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102208" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_102209 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H41N3O5" ; chebi:inchi "InChI=1S/C31H41N3O5/c1-20(2)18-39-31(37)32(5)16-27-21(3)15-34(22(4)17-35)30(36)29-28(24-12-8-7-11-23(24)19-38-27)25-13-9-10-14-26(25)33(29)6/h7-14,20-22,27,35H,15-19H2,1-6H3/t21-,22+,27+/m0/s1" ; chebi:inchikey "QLIZXZIZGKFZES-OREGWCPLSA-N" ; chebi:mass "535.676" ; chebi:monoisotopicmass "535.30462" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)OCC(C)C)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102209" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13567" . obo:CHEBI_10221 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35189 ; rdfs:subClassOf obo:CHEBI_35990 ; obo:IAO_0000115 "A sesquiterpene that is tricyclo[4.4.0.0(2,7)]dec-3-ene bearing an isopropyl substituent at position 8 and two methyl substituents at positions 1 and 3 (the 1S,6S,7S,8S-diastereomer)." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14?,15-/m0/s1" ; chebi:inchikey "VLXDPFLIRFYIME-XIQJJJERSA-N" ; chebi:mass "204.35110" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "[H][C@@]12[C@@H](CC[C@]3(C)C1C(C)=CC[C@@]23[H])C(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10221" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-copaene" . obo:CHEBI_102210 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H35N3O5" ; chebi:inchi "InChI=1S/C24H35N3O5/c1-2-10-25-22(29)13-17-12-19-18-11-16(27-24(30)26-15-6-4-3-5-7-15)8-9-20(18)32-23(19)21(14-28)31-17/h8-9,11,15,17,19,21,23,28H,2-7,10,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t17-,19+,21-,23-/m0/s1" ; chebi:inchikey "ALHQUDNRSCILRO-FTJYFCJYSA-N" ; chebi:mass "445.553" ; chebi:monoisotopicmass "445.25767" ; chebi:smiles "CCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102210" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_102211 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O7" ; chebi:inchi "InChI=1S/C25H34N4O7/c1-15-11-29(23(30)14-33-5)16(2)13-35-21-8-7-18(26-24(31)20-9-17(3)36-27-20)10-19(21)25(32)28(4)12-22(15)34-6/h7-10,15-16,22H,11-14H2,1-6H3,(H,26,31)/t15-,16+,22-/m1/s1" ; chebi:inchikey "QUVWWXZLNVGVGD-ZMPRRUGASA-N" ; chebi:mass "502.561" ; chebi:monoisotopicmass "502.24275" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102211" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_102212 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O5" ; chebi:inchi "InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23-,29-,30+/m1/s1" ; chebi:inchikey "DVGPQCDULGSEFB-ALIATHRISA-N" ; chebi:mass "530.656" ; chebi:monoisotopicmass "530.27807" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](C4=CC=CC=C4)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102212" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13570" . obo:CHEBI_102213 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H28FN3O7" ; chebi:inchi "InChI=1S/C29H28FN3O7/c30-21-3-1-2-4-22(21)33-29(36)32-17-6-8-23-19(10-17)20-11-18(39-26(14-34)28(20)40-23)12-27(35)31-13-16-5-7-24-25(9-16)38-15-37-24/h1-10,18,20,26,28,34H,11-15H2,(H,31,35)(H2,32,33,36)/t18-,20-,26-,28+/m1/s1" ; chebi:inchikey "QUTKLMAKSFRFCA-NAPMWBMBSA-N" ; chebi:mass "549.548" ; chebi:monoisotopicmass "549.19113" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102213" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102214 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_25248 ; rdfs:subClassOf obo:CHEBI_26979 ; chebi:charge "0" ; chebi:formula "C25H24N4O6" ; chebi:inchi "InChI=1S/C25H24N4O6/c1-34-20-6-4-3-5-14(20)15-7-8-19-21-16(12-28(19)23(15)31)17(13-30)22(25(33)35-2)29(21)24(32)18-11-26-9-10-27-18/h3-11,16-17,21-22,30H,12-13H2,1-2H3/t16-,17-,21+,22-/m0/s1" ; chebi:inchikey "PJQVGEWXXVLMPO-QPAOKJHLSA-N" ; chebi:mass "476.482" ; chebi:monoisotopicmass "476.16958" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4C(=O)C5=NC=CN=C5)C(=O)OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102214" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1-[oxo(2-pyrazinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_102215 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN2O6S2" ; chebi:inchi "InChI=1S/C21H27FN2O6S2/c22-17-6-9-19(10-7-17)32(28,29)24-20-11-8-18(30-21(20)14-25)12-13-23-31(26,27)15-16-4-2-1-3-5-16/h1-7,9-10,18,20-21,23-25H,8,11-15H2/t18-,20-,21+/m0/s1" ; chebi:inchikey "ZTKNNPSVJPUDLJ-SESVDKBCSA-N" ; chebi:mass "486.580" ; chebi:monoisotopicmass "486.12946" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102215" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_102216 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22693 ; rdfs:subClassOf obo:CHEBI_73474 . _:b204 rdf:type owl:Restriction . obo:CHEBI_102216 rdfs:subClassOf _:b204 . _:b204 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_38877 . _:b205 rdf:type owl:Restriction . obo:CHEBI_102216 rdfs:subClassOf _:b205 . _:b205 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_88188 . _:b206 rdf:type owl:Restriction . obo:CHEBI_102216 rdfs:subClassOf _:b206 . _:b206 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_60792 . obo:CHEBI_102216 obo:IAO_0000115 "A barbiturate, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by allyl and 1-methylpent-2-ynyl groups." ; chebi:charge "0" ; chebi:formula "C14H18N2O3" ; chebi:inchi "InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)" ; chebi:inchikey "NZXKDOXHBHYTKP-UHFFFAOYSA-N" ; chebi:mass "262.30430" ; chebi:monoisotopicmass "262.13174" ; chebi:smiles "CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O" ; oboInOwl:hasAlternativeId "CHEBI:6833" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102216" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "methohexital" . obo:CHEBI_102217 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_8069 ; owl:deprecated true . obo:CHEBI_102218 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_24373 ; rdfs:subClassOf obo:CHEBI_25248 . _:b207 rdf:type owl:Restriction . obo:CHEBI_102218 rdfs:subClassOf _:b207 . _:b207 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_102248 . _:b208 rdf:type owl:Restriction . obo:CHEBI_102218 rdfs:subClassOf _:b208 . _:b208 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_63726 . _:b209 rdf:type owl:Restriction . obo:CHEBI_102218 rdfs:subClassOf _:b209 . _:b209 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_44482 . obo:CHEBI_102218 obo:IAO_0000115 "A glycine derivative that is the diester obtained by formal condensation of the carboxy groups of N-oxalylglycine with two molecules of methanol." ; chebi:charge "0" ; chebi:formula "C6H9NO5" ; chebi:inchi "InChI=1S/C6H9NO5/c1-11-4(8)3-7-5(9)6(10)12-2/h3H2,1-2H3,(H,7,9)" ; chebi:inchikey "BNJOZDZCRHCODO-UHFFFAOYSA-N" ; chebi:mass "175.140" ; chebi:monoisotopicmass "175.04807" ; chebi:smiles "C(CNC(=O)C(OC)=O)(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102218" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "dimethyloxalylglycine" . obo:CHEBI_102219 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N5O4S" ; chebi:inchi "InChI=1S/C22H27N5O4S/c1-16-4-7-19(8-5-16)32(29,30)25-20-9-6-18(31-22(20)15-28)10-12-27-14-21(24-26-27)17-3-2-11-23-13-17/h2-5,7-8,11,13-14,18,20,22,25,28H,6,9-10,12,15H2,1H3/t18-,20+,22-/m1/s1" ; chebi:inchikey "AGCDJJGGWAFKHW-KAGYGMCKSA-N" ; chebi:mass "457.548" ; chebi:monoisotopicmass "457.17838" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCN3C=C(N=N3)C4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102219" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide" . obo:CHEBI_10222 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38922 ; chebi:charge "0" ; chebi:formula "C15H14O6" ; chebi:inchi "InChI=1S/C15H14O6/c1-18-13-9(16)5-4-7-8-6-10(17)14(19-2)15(20-3)12(8)21-11(7)13/h4-6,16-17H,1-3H3" ; chebi:inchikey "SHQNKPHNRFEQQD-UHFFFAOYSA-N" ; chebi:mass "290.269" ; chebi:monoisotopicmass "290.07904" ; chebi:smiles "COc1c(O)cc2c3ccc(O)c(OC)c3oc2c1OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10222" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-cotonefuran" . obo:CHEBI_102220 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O4" ; chebi:inchi "InChI=1S/C24H37N3O4/c1-16-13-25-17(2)15-31-21-11-10-19(26-23(28)18-8-6-5-7-9-18)12-20(21)24(29)27(3)14-22(16)30-4/h10-12,16-18,22,25H,5-9,13-15H2,1-4H3,(H,26,28)/t16-,17+,22+/m0/s1" ; chebi:inchikey "WWIWLTDSUPVNED-GSHUGGBRSA-N" ; chebi:mass "431.569" ; chebi:monoisotopicmass "431.27841" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCCCC3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102220" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide" . obo:CHEBI_102221 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C18H33N3O4" ; chebi:inchi "InChI=1S/C18H33N3O4/c22-14-11-20-16-5-4-15(25-17(16)13-24-12-14)10-18(23)19-6-9-21-7-2-1-3-8-21/h14-17,20,22H,1-13H2,(H,19,23)/t14-,15+,16+,17-/m1/s1" ; chebi:inchikey "WSFSIZCPNKDEIH-LTIDMASMSA-N" ; chebi:mass "355.473" ; chebi:monoisotopicmass "355.24711" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102221" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102222 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20-,21-,22-/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-QKINTPNGSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102222" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13578" . obo:CHEBI_102223 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c31-15-23-25-21(12-19(34-23)13-24(32)28-14-16-7-9-27-10-8-16)20-11-18(5-6-22(20)35-25)30-26(33)29-17-3-1-2-4-17/h5-11,17,19,21,23,25,31H,1-4,12-15H2,(H,28,32)(H2,29,30,33)/t19-,21+,23-,25-/m1/s1" ; chebi:inchikey "CSQKNNUUWCECGY-RIPRBREISA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102223" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide" . obo:CHEBI_102224 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c33-16-27-29-23(14-21(38-27)15-28(34)31-11-10-18-4-2-1-3-5-18)22-13-20(7-9-24(22)39-29)32-30(35)19-6-8-25-26(12-19)37-17-36-25/h1-9,12-13,21,23,27,29,33H,10-11,14-17H2,(H,31,34)(H,32,35)/t21-,23-,27+,29+/m1/s1" ; chebi:inchikey "WERZBRNJFLNQTM-YNXFXDROSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCCC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102224" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102225 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H39N5O5" ; chebi:inchi "InChI=1S/C32H39N5O5/c1-19-15-37(20(2)17-38)31(39)30-28(25-13-9-10-14-26(25)36(30)6)24-12-8-7-11-23(24)18-41-27(19)16-35(5)32(40)33-29-21(3)34-42-22(29)4/h7-14,19-20,27,38H,15-18H2,1-6H3,(H,33,40)/t19-,20-,27-/m0/s1" ; chebi:inchikey "WBCPGODJHKXDGU-OSOCVKALSA-N" ; chebi:mass "573.684" ; chebi:monoisotopicmass "573.29512" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102225" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13581" . obo:CHEBI_102226 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H34FN3O4" ; chebi:inchi "InChI=1S/C28H34FN3O4/c29-20-3-1-2-19(12-20)21-6-7-24-25-22(15-31(24)28(21)35)23(16-33)26(27(34)30-13-17-4-5-17)32(25)14-18-8-10-36-11-9-18/h1-3,6-7,12,17-18,22-23,25-26,33H,4-5,8-11,13-16H2,(H,30,34)/t22-,23-,25+,26-/m1/s1" ; chebi:inchikey "QQHZYPMPDOLVNZ-VHCQPULKSA-N" ; chebi:mass "495.587" ; chebi:monoisotopicmass "495.25333" ; chebi:smiles "C1CC1CNC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC(=CC=C5)F)[C@H]3N2CC6CCOCC6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102226" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102227 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C18H18FN3O4S" ; chebi:inchi "InChI=1S/C18H18FN3O4S/c19-12-3-1-2-11(8-12)17(25)21-14-5-4-13(26-15(14)10-23)9-16(24)22-18-20-6-7-27-18/h1-8,13-15,23H,9-10H2,(H,21,25)(H,20,22,24)/t13-,14+,15+/m1/s1" ; chebi:inchikey "UCAVQNBXNWPRQF-ILXRZTDVSA-N" ; chebi:mass "391.418" ; chebi:monoisotopicmass "391.10021" ; chebi:smiles "C1=CC(=CC(=C1)F)C(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102227" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_102228 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C25H31N5O5S" ; chebi:inchi "InChI=1S/C25H31N5O5S/c1-28-7-9-30(10-8-28)23(31)12-17-4-5-20-22(35-17)13-34-21-6-3-16(11-18(21)25(33)29(20)2)27-24(32)19-14-36-15-26-19/h3,6,11,14-15,17,20,22H,4-5,7-10,12-13H2,1-2H3,(H,27,32)/t17-,20+,22-/m1/s1" ; chebi:inchikey "MBWHXZFHLNKYMT-PIPMEXSNSA-N" ; chebi:mass "513.611" ; chebi:monoisotopicmass "513.20459" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102228" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide" . obo:CHEBI_102229 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H28ClN3O5" ; chebi:inchi "InChI=1S/C25H28ClN3O5/c26-19-5-2-1-4-16(19)12-27-24(32)23-18(14-30)17-13-28-20(6-3-7-21(28)31)22(17)29(23)25(33)15-8-10-34-11-9-15/h1-7,15,17-18,22-23,30H,8-14H2,(H,27,32)/t17-,18-,22+,23-/m0/s1" ; chebi:inchikey "FUBLKTUGGJCEAF-JRSMBCBASA-N" ; chebi:mass "485.961" ; chebi:monoisotopicmass "485.17175" ; chebi:smiles "C1COCCC1C(=O)N2[C@@H]3[C@@H](CN4C3=CC=CC4=O)[C@@H]([C@H]2C(=O)NCC5=CC=CC=C5Cl)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102229" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_10223 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23045 . _:b210 rdf:type owl:Restriction . obo:CHEBI_10223 rdfs:subClassOf _:b210 . _:b210 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_35147 . obo:CHEBI_10223 obo:IAO_0000115 "A carotenol, the structure of which is (6'R)-beta,epsilon-carotene hydroxy-substituted at C-3' with R-stereochemistry." ; chebi:charge "0" ; chebi:formula "C40H56O" ; chebi:inchi "InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38-/m0/s1" ; chebi:inchikey "ORAKUVXRZWMARG-XBBNTEQGSA-N" ; chebi:mass "552.87200" ; chebi:monoisotopicmass "552.43312" ; chebi:smiles "CC(\\C=C\\C=C(C)\\C=C\\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10223" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-cryptoxanthin" . obo:CHEBI_102230 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_26979 ; chebi:charge "0" ; chebi:formula "C24H20FN3O5" ; chebi:inchi "InChI=1S/C24H20FN3O5/c25-14-5-3-4-13(10-14)15-7-8-19-20-16(11-27(19)22(15)30)17(12-29)21(24(32)33)28(20)23(31)18-6-1-2-9-26-18/h1-10,16-17,20-21,29H,11-12H2,(H,32,33)/t16-,17-,20+,21-/m1/s1" ; chebi:inchikey "PPTZIPDIUOVGPF-SGLNWRHMSA-N" ; chebi:mass "449.432" ; chebi:monoisotopicmass "449.13870" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H](N([C@@H]2C3=CC=C(C(=O)N31)C4=CC(=CC=C4)F)C(=O)C5=CC=CC=N5)C(=O)O)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102230" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-[oxo(2-pyridinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid" . obo:CHEBI_102231 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23+,29+/m1/s1" ; chebi:inchikey "VHDWJFVGOVHSLC-AFKLWXAFSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102231" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13587" . obo:CHEBI_102232 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C22H31FN2O4" ; chebi:inchi "InChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18-,20+,21-/m0/s1" ; chebi:inchikey "LTCDBOWOUBSGLM-MMKMLUHNSA-N" ; chebi:mass "406.492" ; chebi:monoisotopicmass "406.22679" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC=CC=C4F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102232" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_102233 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-14(2)27-22(32)30-10-15(3)20(35-6)11-29(5)21(31)18-9-17(7-8-19(18)36-12-16(30)4)28-37(33,34)13-23(24,25)26/h7-9,14-16,20,28H,10-13H2,1-6H3,(H,27,32)/t15-,16+,20-/m0/s1" ; chebi:inchikey "XOJAHRJNCMVABE-YRNRMSPPSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102233" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_102234 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H27N3O4" ; chebi:inchi "InChI=1S/C25H27N3O4/c1-15(30)28-22-19(20(14-29)23(28)24(31)26-17-9-3-2-4-10-17)13-27-21(22)12-11-18(25(27)32)16-7-5-6-8-16/h2-4,7,9-12,19-20,22-23,29H,5-6,8,13-14H2,1H3,(H,26,31)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "CIRAGUKJUQGHED-YXPKMTABSA-N" ; chebi:mass "433.501" ; chebi:monoisotopicmass "433.20016" ; chebi:smiles "CC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CCCC4)[C@H]([C@@H]1C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102234" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-acetyl-7-(1-cyclopentenyl)-3-(hydroxymethyl)-6-oxo-N-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102235 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C21H25F2N3O4S" ; chebi:inchi "InChI=1S/C21H25F2N3O4S/c22-14-5-13(6-15(23)7-14)9-26-10-16(27)11-29-12-19-18(26)2-1-17(30-19)8-20(28)25-21-24-3-4-31-21/h3-7,16-19,27H,1-2,8-12H2,(H,24,25,28)/t16-,17+,18+,19-/m0/s1" ; chebi:inchikey "HLMLEGKKEQKEEG-MANSERQUSA-N" ; chebi:mass "453.505" ; chebi:monoisotopicmass "453.15338" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC(=CC(=C3)F)F)O)O[C@H]1CC(=O)NC4=NC=CS4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102235" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide" . obo:CHEBI_102236 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H30N2O7" ; chebi:inchi "InChI=1S/C29H30N2O7/c32-17-27-24(31-29(34)20-8-13-25-26(14-20)36-18-35-25)12-11-23(38-27)15-28(33)30-16-19-6-9-22(10-7-19)37-21-4-2-1-3-5-21/h1-10,13-14,23-24,27,32H,11-12,15-18H2,(H,30,33)(H,31,34)/t23-,24+,27-/m1/s1" ; chebi:inchikey "IKYPBPDRSBKALY-ONBPZOJHSA-N" ; chebi:mass "518.559" ; chebi:monoisotopicmass "518.20530" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102236" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102237 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C26H32N6O3" ; chebi:inchi "InChI=1S/C26H32N6O3/c1-3-11-31-22-14-32-21(7-6-19(26(32)35)17-5-4-9-27-12-17)24(31)23(20(22)15-33)25(34)28-10-8-18-13-30(2)16-29-18/h4-7,9,12-13,16,20,22-24,33H,3,8,10-11,14-15H2,1-2H3,(H,28,34)/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "HJZHDZIYUXDLGN-AZOUXBGGSA-N" ; chebi:mass "476.572" ; chebi:monoisotopicmass "476.25359" ; chebi:smiles "CCCN1[C@@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)NCCC5=CN(C=N5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102237" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13593" . obo:CHEBI_102238 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H37N5O5S" ; chebi:inchi "InChI=1S/C30H37N5O5S/c1-20-14-35(21(2)17-36)30(37)29-28(24-12-8-9-13-25(24)34(29)5)23-11-7-6-10-22(23)18-40-26(20)15-33(4)41(38,39)27-16-32(3)19-31-27/h6-13,16,19-21,26,36H,14-15,17-18H2,1-5H3/t20-,21-,26-/m0/s1" ; chebi:inchikey "NRKUZRFIJSCRHL-WOVHNISZSA-N" ; chebi:mass "579.713" ; chebi:monoisotopicmass "579.25154" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102238" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13594" . obo:CHEBI_102239 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28F3N3O6" ; chebi:inchi "InChI=1S/C25H28F3N3O6/c1-35-9-8-29-22(33)12-17-11-19-18-10-16(6-7-20(18)37-23(19)21(13-32)36-17)31-24(34)30-15-4-2-14(3-5-15)25(26,27)28/h2-7,10,17,19,21,23,32H,8-9,11-13H2,1H3,(H,29,33)(H2,30,31,34)/t17-,19-,21+,23+/m0/s1" ; chebi:inchikey "JDHDHCLBKAEOSQ-VARILPKDSA-N" ; chebi:mass "523.502" ; chebi:monoisotopicmass "523.19302" ; chebi:smiles "COCCNC(=O)C[C@@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102239" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_10224 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1" ; chebi:inchikey "XUEHVOLRMXNRKQ-KHMAMNHCSA-N" ; chebi:mass "204.352" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "CC(C)[C@@H]1CC[C@@H](C)[C@@]23CC=C(C)[C@@H]2[C@@H]13" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10224" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Cubebene" . obo:CHEBI_102240 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H35N3O6S" ; chebi:inchi "InChI=1S/C29H35N3O6S/c1-20-17-30-21(2)19-37-27-16-22(10-15-26(27)29(33)32(3)18-28(20)36-4)31-39(34,35)25-13-11-24(12-14-25)38-23-8-6-5-7-9-23/h5-16,20-21,28,30-31H,17-19H2,1-4H3/t20-,21-,28+/m1/s1" ; chebi:inchikey "NZYQBFQVYSNMPI-CJYOKPGZSA-N" ; chebi:mass "553.672" ; chebi:monoisotopicmass "553.22466" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102240" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenoxybenzenesulfonamide" . obo:CHEBI_102241 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C34H36N4O3S" ; chebi:inchi "InChI=1S/C34H36N4O3S/c1-34(2,3)42(41)38-22-28-19-29(33(40)37-16-13-23-8-4-5-9-27(23)21-37)36-32(31(28)30(38)14-17-39)25-11-6-10-24(18-25)26-12-7-15-35-20-26/h4-12,15,18-20,30,39H,13-14,16-17,21-22H2,1-3H3/t30-,42-/m1/s1" ; chebi:inchikey "MWNPJFSJRUIJTE-SBEKKQRLSA-N" ; chebi:mass "580.742" ; chebi:monoisotopicmass "580.25081" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102241" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone" . obo:CHEBI_102242 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H41FN4O4S" ; chebi:inchi "InChI=1S/C33H41FN4O4S/c1-33(2,3)43(41)38-22-26-21-28(32(40)35-12-6-13-37-14-17-42-18-15-37)36-31(30(26)29(38)11-16-39)25-9-4-7-23(19-25)24-8-5-10-27(34)20-24/h4-5,7-10,19-21,29,39H,6,11-18,22H2,1-3H3,(H,35,40)/t29-,43?/m1/s1" ; chebi:inchikey "LANWNDDZUXSLHG-CSOJFCJSSA-N" ; chebi:mass "608.769" ; chebi:monoisotopicmass "608.28326" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102242" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102243 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C28H38N2O5" ; chebi:inchi "InChI=1S/C28H38N2O5/c1-19(2)17-35-28(33)29(5)15-26-20(3)14-30(21(4)16-31)27(32)25-13-9-8-12-24(25)23-11-7-6-10-22(23)18-34-26/h6-13,19-21,26,31H,14-18H2,1-5H3/t20-,21-,26+/m0/s1" ; chebi:inchikey "BBROUNWBLSFMDY-ISJBWFOZSA-N" ; chebi:mass "482.613" ; chebi:monoisotopicmass "482.27807" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)OCC(C)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102243" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13599" . obo:CHEBI_102244 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H29N3O6S" ; chebi:inchi "InChI=1S/C20H29N3O6S/c1-22-5-7-23(8-6-22)19(25)11-14-10-16-15-9-13(21-30(2,26)27)3-4-17(15)29-20(16)18(12-24)28-14/h3-4,9,14,16,18,20-21,24H,5-8,10-12H2,1-2H3/t14-,16+,18-,20-/m1/s1" ; chebi:inchikey "LHGLZDQGJZRLBC-IHMNZUQTSA-N" ; chebi:mass "439.528" ; chebi:monoisotopicmass "439.17771" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102244" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide" . obo:CHEBI_102245 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H32N2O7" ; chebi:inchi "InChI=1S/C24H32N2O7/c27-17-11-26(24(29)15-5-8-20-21(9-15)32-14-31-20)19-7-6-18(33-22(19)13-30-12-17)10-23(28)25-16-3-1-2-4-16/h5,8-9,16-19,22,27H,1-4,6-7,10-14H2,(H,25,28)/t17-,18-,19-,22+/m0/s1" ; chebi:inchikey "JZHWTQAESVMWQB-ZVVDCOBXSA-N" ; chebi:mass "460.521" ; chebi:monoisotopicmass "460.22095" ; chebi:smiles "C1CCC(C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)C4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102245" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclopentylacetamide" . obo:CHEBI_102246 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c30-15-23-25-21(11-19(34-23)12-24(31)28-14-16-2-1-7-27-13-16)20-10-18(3-4-22(20)35-25)29-26(32)17-5-8-33-9-6-17/h1-4,7,10,13,17,19,21,23,25,30H,5-6,8-9,11-12,14-15H2,(H,28,31)(H,29,32)/t19-,21-,23-,25+/m0/s1" ; chebi:inchikey "UAPJRYKULVRBJS-YALMDMJRSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102246" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102247 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_9332 ; owl:deprecated true . obo:CHEBI_102248 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76902 ; obo:IAO_0000115 "An EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor that interferes with the action of hypoxia-inducible factor-proline dioxygenase (EC 1.14.11.29)." ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102248" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor" . obo:CHEBI_102249 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O5" ; chebi:inchi "InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23+,29-,30+/m0/s1" ; chebi:inchikey "DVGPQCDULGSEFB-WZQNMIHXSA-N" ; chebi:mass "530.656" ; chebi:monoisotopicmass "530.27807" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102249" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13604" . obo:CHEBI_10225 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62757 . _:b211 rdf:type owl:Restriction . obo:CHEBI_10225 rdfs:subClassOf _:b211 . _:b211 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . _:b212 rdf:type owl:Restriction . obo:CHEBI_10225 rdfs:subClassOf _:b212 . _:b212 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_62758 . obo:CHEBI_10225 obo:IAO_0000115 "An alpha-curcumene that has R configuration at the chiral centre." ; chebi:charge "0" ; chebi:formula "C15H22" ; chebi:inchi "InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1" ; chebi:inchikey "VMYXUZSZMNBRCN-CQSZACIVSA-N" ; chebi:mass "202.33520" ; chebi:monoisotopicmass "202.17215" ; chebi:smiles "C[C@H](CCC=C(C)C)c1ccc(C)cc1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10225" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(-)-alpha-curcumene" . obo:CHEBI_102250 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H34F3N3O5S" ; chebi:inchi "InChI=1S/C22H34F3N3O5S/c1-6-34(30,31)26-17-7-8-19-18(11-17)21(29)27(4)13-20(32-5)15(2)12-28(16(3)14-33-19)10-9-22(23,24)25/h7-8,11,15-16,20,26H,6,9-10,12-14H2,1-5H3/t15-,16+,20+/m1/s1" ; chebi:inchikey "QTXSGNVPDCTZEW-GUXCAODWSA-N" ; chebi:mass "509.585" ; chebi:monoisotopicmass "509.21713" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CCC(F)(F)F)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102250" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102251 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C18H23N3O4" ; chebi:inchi "InChI=1S/C18H23N3O4/c22-11-16-15(21-18(24)13-5-7-19-8-6-13)4-3-14(25-16)9-17(23)20-10-12-1-2-12/h3-8,12,14-16,22H,1-2,9-11H2,(H,20,23)(H,21,24)/t14-,15-,16+/m1/s1" ; chebi:inchikey "UGRHUCUWEJLITN-OAGGEKHMSA-N" ; chebi:mass "345.394" ; chebi:monoisotopicmass "345.16886" ; chebi:smiles "C1CC1CNC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102251" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_102252 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C21H29N3O4" ; chebi:inchi "InChI=1S/C21H29N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-8,13,16-19,25H,9-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18-,19+/m0/s1" ; chebi:inchikey "PBTCYEHOLZFKGG-GBESFXJTSA-N" ; chebi:mass "387.473" ; chebi:monoisotopicmass "387.21581" ; chebi:smiles "CC(C)NC(=O)N[C@H]1C=C[C@H](O[C@@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102252" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102253 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C32H39N3O4" ; chebi:inchi "InChI=1S/C32H39N3O4/c1-22-18-35(23(2)20-36)31(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-39-30(22)19-34(4)32(38)33-24(3)25-12-6-5-7-13-25/h5-17,22-24,30,36H,18-21H2,1-4H3,(H,33,38)/t22-,23-,24-,30-/m0/s1" ; chebi:inchikey "VBARFQGDBKSOKL-CQUCHYGKSA-N" ; chebi:mass "529.671" ; chebi:monoisotopicmass "529.29406" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102253" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13608" . obo:CHEBI_102254 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-10-6-8-19(24)12-21)22(32-4)14-25(3)33(28,29)20-9-5-7-18(23)11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "WFGAJOALFFTPKS-GSHUGGBRSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102254" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3S)-4-[(3-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_102255 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O5" ; chebi:inchi "InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23-,29+,30-/m0/s1" ; chebi:inchikey "DVGPQCDULGSEFB-XGMTZGAUSA-N" ; chebi:mass "530.656" ; chebi:monoisotopicmass "530.27807" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](C4=CC=CC=C4)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102255" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13610" . obo:CHEBI_102256 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_31252 ; owl:deprecated true . obo:CHEBI_102257 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18241 ; rdfs:subClassOf obo:CHEBI_48018 ; rdfs:subClassOf obo:CHEBI_48208 . _:b213 rdf:type owl:Restriction . obo:CHEBI_102257 rdfs:subClassOf _:b213 . _:b213 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b214 rdf:type owl:Restriction . obo:CHEBI_102257 rdfs:subClassOf _:b214 . _:b214 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_102328 . obo:CHEBI_102257 obo:IAO_0000115 "A N-glycosyl-1,2,4-triazine that is the 6-aza analogue of thymidine 5'-monophosphate." ; chebi:charge "0" ; chebi:formula "C9H14N3O8P" ; chebi:inchi "InChI=1S/C9H14N3O8P/c1-4-8(14)10-9(15)12(11-4)7-2-5(13)6(20-7)3-19-21(16,17)18/h5-7,13H,2-3H2,1H3,(H,10,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1" ; chebi:inchikey "JIPUKSRBXPZDPW-RRKCRQDMSA-N" ; chebi:mass "323.197" ; chebi:monoisotopicmass "323.05185" ; chebi:smiles "N1=C(C)C(NC(N1[C@@H]2O[C@H](COP(O)(=O)O)[C@H](C2)O)=O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102257" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "6-azathymidine 5'-monophosphate" . obo:CHEBI_102258 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H28N2O6S" ; chebi:inchi "InChI=1S/C20H28N2O6S/c1-29(25,26)22-13-6-7-17-15(8-13)16-9-14(27-18(11-23)20(16)28-17)10-19(24)21-12-4-2-3-5-12/h6-8,12,14,16,18,20,22-23H,2-5,9-11H2,1H3,(H,21,24)/t14-,16+,18-,20-/m0/s1" ; chebi:inchikey "BEWGTMHICYCEOA-HUOQQOJOSA-N" ; chebi:mass "424.513" ; chebi:monoisotopicmass "424.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NC4CCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102258" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide" . obo:CHEBI_102259 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C23H34FN3O4" ; chebi:inchi "InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20+,21-,22+/m0/s1" ; chebi:inchikey "UZQWVSGPDQQYNK-LNRXMEIDSA-N" ; chebi:mass "435.533" ; chebi:monoisotopicmass "435.25333" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CC4=CC(=CC=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102259" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_10226 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H20O2" ; chebi:inchi "InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12+,13-,15+/m0/s1" ; chebi:inchikey "UHODXTMZSDNATP-SFDCQRBFSA-N" ; chebi:mass "232.319" ; chebi:monoisotopicmass "232.14633" ; chebi:smiles "CC1=CCC[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10226" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Cyclocostunolide" . obo:CHEBI_102260 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O6" ; chebi:inchi "InChI=1S/C20H28N2O6/c1-3-6-21-18(24)9-13-8-15-14-7-12(22-19(25)11-26-2)4-5-16(14)28-20(15)17(10-23)27-13/h4-5,7,13,15,17,20,23H,3,6,8-11H2,1-2H3,(H,21,24)(H,22,25)/t13-,15-,17+,20+/m0/s1" ; chebi:inchikey "ZWJVDCAUIXXXGX-BQCJVYABSA-N" ; chebi:mass "392.447" ; chebi:monoisotopicmass "392.19474" ; chebi:smiles "CCCNC(=O)C[C@@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102260" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_102261 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H33N3O5" ; chebi:inchi "InChI=1S/C18H33N3O5/c1-25-10-9-19-17(23)11-14-7-8-15(16(12-22)26-14)21-18(24)20-13-5-3-2-4-6-13/h13-16,22H,2-12H2,1H3,(H,19,23)(H2,20,21,24)/t14-,15+,16+/m1/s1" ; chebi:inchikey "LJTZBZLXVQJQJX-PMPSAXMXSA-N" ; chebi:mass "371.472" ; chebi:monoisotopicmass "371.24202" ; chebi:smiles "COCCNC(=O)C[C@H]1CC[C@@H]([C@@H](O1)CO)NC(=O)NC2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102261" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102262 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37FN4O5" ; chebi:inchi "InChI=1S/C28H37FN4O5/c1-6-13-30-28(36)31-20-11-12-24-22(14-20)26(34)32(4)16-25(37-5)18(2)15-33(19(3)17-38-24)27(35)21-9-7-8-10-23(21)29/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H2,30,31,36)/t18-,19-,25+/m0/s1" ; chebi:inchikey "IESMZGXEKVWDTA-XHNVNVPESA-N" ; chebi:mass "528.617" ; chebi:monoisotopicmass "528.27480" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=C3F)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102262" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_102263 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C31H33N5O3S" ; chebi:inchi "InChI=1S/C31H33N5O3S/c1-31(2,3)40(39)36-20-25-18-26(30(38)34-19-21-7-12-32-13-8-21)35-29(28(25)27(36)11-16-37)24-6-4-5-23(17-24)22-9-14-33-15-10-22/h4-10,12-15,17-18,27,37H,11,16,19-20H2,1-3H3,(H,34,38)/t27-,40-/m0/s1" ; chebi:inchikey "VKWMOKPZZRMWDJ-PDBZVODSSA-N" ; chebi:mass "555.693" ; chebi:monoisotopicmass "555.23041" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102263" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102264 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H34ClN3O5S" ; chebi:inchi "InChI=1S/C22H34ClN3O5S/c23-17-5-4-6-19(15-17)32(29,30)25-20-8-7-18(31-21(20)16-27)9-11-24-22(28)10-14-26-12-2-1-3-13-26/h4-6,15,18,20-21,25,27H,1-3,7-14,16H2,(H,24,28)/t18-,20+,21-/m1/s1" ; chebi:inchikey "QYROUQDLUMQXKE-HLAWJBBLSA-N" ; chebi:mass "488.042" ; chebi:monoisotopicmass "487.19077" ; chebi:smiles "C1CCN(CC1)CCC(=O)NCC[C@H]2CC[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC(=CC=C3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102264" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_102265 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; rdfs:subClassOf obo:CHEBI_39447 ; rdfs:subClassOf obo:CHEBI_87228 . _:b215 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b215 . _:b215 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33281 . _:b216 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b216 . _:b216 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35441 . _:b217 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b217 . _:b217 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35703 . _:b218 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b218 . _:b218 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36047 . _:b219 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b219 . _:b219 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50502 . _:b220 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b220 . _:b220 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50903 . _:b221 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b221 . _:b221 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_52214 . _:b222 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b222 . _:b222 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_78298 . _:b223 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b223 . _:b223 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_88188 . _:b224 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b224 . _:b224 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_45373 . obo:CHEBI_102265 obo:IAO_0000115 "A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position." ; chebi:charge "0" ; chebi:formula "C12H14N4O2S" ; chebi:inchi "InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)" ; chebi:inchikey "ASWVTGNCAZCNNR-UHFFFAOYSA-N" ; chebi:mass "278.33000" ; chebi:monoisotopicmass "278.08375" ; chebi:smiles "Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102265" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "sulfamethazine" . obo:CHEBI_102266 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25095 ; obo:IAO_0000115 "An L-lysine derivative in which the alpha-amino nitrogen of the amino acid has entered into amide formation with acetic acid and the epsilon-amino nitrogen carries a 1,4-dihydroxynonan-3-yl substituent. It has been synthesised by reaction of (E)-4-hydroxynon-2-enal (HNE) with N(2)-acetyl-L-lysine, the epsilon amino group of lysine reacting with the double bond function of HNE via formation of a Michael adduct." ; chebi:charge "0" ; chebi:formula "C17H34N2O5" ; chebi:inchi "InChI=1S/C17H34N2O5/c1-3-4-5-9-16(22)14(10-12-20)18-11-7-6-8-15(17(23)24)19-13(2)21/h14-16,18,20,22H,3-12H2,1-2H3,(H,19,21)(H,23,24)/t14?,15-,16?/m0/s1" ; chebi:inchikey "BKUOTYXIHKVDJX-PCKAHOCUSA-N" ; chebi:mass "346.463" ; chebi:monoisotopicmass "346.24677" ; chebi:smiles "C(=O)([C@@H](NC(=O)C)CCCCNC(C(CCCCC)O)CCO)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102266" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N(2)-acetyl-N(6)-(1,4-dihydroxynonan-3-yl)-L-lysine" . obo:CHEBI_102267 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c31-15-23-25-21(12-19(34-23)13-24(32)28-14-16-7-9-27-10-8-16)20-11-18(5-6-22(20)35-25)30-26(33)29-17-3-1-2-4-17/h5-11,17,19,21,23,25,31H,1-4,12-15H2,(H,28,32)(H2,29,30,33)/t19-,21-,23-,25+/m1/s1" ; chebi:inchikey "CSQKNNUUWCECGY-YTAKYCMFSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102267" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide" . obo:CHEBI_102268 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C21H26N2O4" ; chebi:inchi "InChI=1S/C21H26N2O4/c24-13-19-18(22-21(26)15-5-6-15)8-7-17(27-19)11-20(25)23-10-9-14-3-1-2-4-16(14)12-23/h1-4,7-8,15,17-19,24H,5-6,9-13H2,(H,22,26)/t17-,18+,19-/m0/s1" ; chebi:inchikey "QCIRQJIZWMFOON-OTWHNJEPSA-N" ; chebi:mass "370.443" ; chebi:monoisotopicmass "370.18926" ; chebi:smiles "C1CC1C(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102268" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide" . obo:CHEBI_102269 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C9H15NO4" ; chebi:inchi "InChI=1S/C9H15NO4/c1-13-9(12)4-6-2-3-7(10)8(5-11)14-6/h2-3,6-8,11H,4-5,10H2,1H3/t6-,7+,8+/m1/s1" ; chebi:inchikey "PDEPTYJJYHVXNY-CSMHCCOUSA-N" ; chebi:mass "201.220" ; chebi:monoisotopicmass "201.10011" ; chebi:smiles "COC(=O)C[C@H]1C=C[C@@H]([C@@H](O1)CO)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102269" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-3-amino-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester" . obo:CHEBI_10227 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17734 ; owl:deprecated true . obo:CHEBI_102270 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H40N4O6" ; chebi:inchi "InChI=1S/C27H40N4O6/c1-18-14-31(25(32)16-30-9-11-36-12-10-30)19(2)17-37-23-8-7-21(28-26(33)20-5-6-20)13-22(23)27(34)29(3)15-24(18)35-4/h7-8,13,18-20,24H,5-6,9-12,14-17H2,1-4H3,(H,28,33)/t18-,19-,24+/m1/s1" ; chebi:inchikey "UGPRBZOFAYTTOL-IECBHUPTSA-N" ; chebi:mass "516.631" ; chebi:monoisotopicmass "516.29479" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102270" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-[2-(4-morpholinyl)-1-oxoethyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_102271 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O3" ; chebi:inchi "InChI=1S/C27H36N2O3/c1-19-14-29(20(2)17-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-22(23)18-32-26(19)16-28(3)15-21-12-13-21/h4-11,19-21,26,30H,12-18H2,1-3H3/t19-,20-,26-/m0/s1" ; chebi:inchikey "XOTAGUVNSWBDBY-DYLHXGEVSA-N" ; chebi:mass "436.587" ; chebi:monoisotopicmass "436.27259" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4CC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102271" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13624" . obo:CHEBI_102272 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H32N4O3" ; chebi:inchi "InChI=1S/C25H32N4O3/c1-28-22-19(20(15-30)23(28)24(31)27-12-16-6-3-2-4-7-16)14-29-21(22)10-9-18(25(29)32)17-8-5-11-26-13-17/h5,8-11,13,16,19-20,22-23,30H,2-4,6-7,12,14-15H2,1H3,(H,27,31)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "ODVRBXJNMOGDSF-YXPKMTABSA-N" ; chebi:mass "436.548" ; chebi:monoisotopicmass "436.24744" ; chebi:smiles "CN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CN=CC=C4)[C@H]([C@@H]1C(=O)NCC5CCCCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102272" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-(cyclohexylmethyl)-3-(hydroxymethyl)-1-methyl-6-oxo-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102273 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H24F5N3O4" ; chebi:inchi "InChI=1S/C23H24F5N3O4/c24-15-7-13(8-16(25)9-15)11-29-21(33)10-18-5-6-19(20(12-32)35-18)31-22(34)30-17-3-1-14(2-4-17)23(26,27)28/h1-4,7-9,18-20,32H,5-6,10-12H2,(H,29,33)(H2,30,31,34)/t18-,19-,20-/m1/s1" ; chebi:inchikey "CXBDXCVDLXJCMX-VAMGGRTRSA-N" ; chebi:mass "501.447" ; chebi:monoisotopicmass "501.16870" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CC(=O)NCC2=CC(=CC(=C2)F)F)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102273" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,5-difluorophenyl)methyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102274 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H23FN4O4" ; chebi:inchi "InChI=1S/C20H23FN4O4/c21-14-3-1-13(2-4-14)20(28)25-17-6-5-16(29-18(17)11-26)9-19(27)23-10-15-7-8-22-12-24-15/h1-4,7-8,12,16-18,26H,5-6,9-11H2,(H,23,27)(H,25,28)/t16-,17-,18-/m0/s1" ; chebi:inchikey "KXCVLZMSFBFHGZ-BZSNNMDCSA-N" ; chebi:mass "402.420" ; chebi:monoisotopicmass "402.17033" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102274" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide" . obo:CHEBI_102275 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33N3O6S" ; chebi:inchi "InChI=1S/C23H33N3O6S/c1-26-19-10-9-17(13-22(27)24-15-6-4-3-5-7-15)32-21(19)14-31-20-11-8-16(25-33(2,29)30)12-18(20)23(26)28/h8,11-12,15,17,19,21,25H,3-7,9-10,13-14H2,1-2H3,(H,24,27)/t17-,19-,21+/m1/s1" ; chebi:inchikey "VOOHCFNIWPJMMM-QFUCXCTJSA-N" ; chebi:mass "479.592" ; chebi:monoisotopicmass "479.20901" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102275" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-cyclohexylacetamide" . obo:CHEBI_102276 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H31N3O4S" ; chebi:inchi "InChI=1S/C25H31N3O4S/c1-25(2,3)33(32)28-16-19-15-20(24(30)31)26-23(22(19)21(28)11-13-29)18-10-6-8-17(14-18)9-7-12-27(4)5/h6,8,10,14-15,21,29H,11-13,16H2,1-5H3,(H,30,31)/t21-,33?/m0/s1" ; chebi:inchikey "DIAWSVIFYKTHOJ-KEDGCLKXSA-N" ; chebi:mass "469.598" ; chebi:monoisotopicmass "469.20353" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C#CCN(C)C)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102276" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid" . obo:CHEBI_102277 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H36N4O5S" ; chebi:inchi "InChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-25(27)21-42-30(22)19-35(3)43(40,41)26-12-9-10-24(16-26)17-34/h5-16,22-23,30,38H,18-21H2,1-4H3/t22-,23-,30+/m1/s1" ; chebi:inchikey "DEQYHGFYIZKXEQ-JWUQWVJQSA-N" ; chebi:mass "600.730" ; chebi:monoisotopicmass "600.24064" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102277" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13630" . obo:CHEBI_102278 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H31FN4O4" ; chebi:inchi "InChI=1S/C26H31FN4O4/c1-14(2)28-26(35)31-22-18(19(13-32)23(31)24(33)29-15-6-5-7-15)12-30-21(22)11-10-17(25(30)34)16-8-3-4-9-20(16)27/h3-4,8-11,14-15,18-19,22-23,32H,5-7,12-13H2,1-2H3,(H,28,35)(H,29,33)/t18-,19-,22+,23-/m0/s1" ; chebi:inchikey "LYKIZZQLQMQPAT-LBVMUVSTSA-N" ; chebi:mass "482.548" ; chebi:monoisotopicmass "482.23293" ; chebi:smiles "CC(C)NC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4F)[C@@H]([C@H]1C(=O)NC5CCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102278" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N2-cyclobutyl-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-N1-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide" . obo:CHEBI_102279 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C32H33FN4O3S" ; chebi:inchi "InChI=1S/C32H33FN4O3S/c1-32(2,3)41(40)37-20-25-18-27(31(39)35-19-24-7-4-5-10-26(24)33)36-30(29(25)28(37)13-16-38)23-9-6-8-22(17-23)21-11-14-34-15-12-21/h4-12,14-15,17-18,28,38H,13,16,19-20H2,1-3H3,(H,35,39)/t28-,41-/m1/s1" ; chebi:inchikey "SOFJTHGIOAEHFZ-GIEABIOQSA-N" ; chebi:mass "572.695" ; chebi:monoisotopicmass "572.22574" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102279" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10228 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18260 ; owl:deprecated true . obo:CHEBI_102280 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33FN2O5S" ; chebi:inchi "InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-37-28(20)17-31(3)38(35,36)24-11-8-10-23(30)15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21+,28-/m1/s1" ; chebi:inchikey "APRVPIVHITUHLQ-PHVLTXCSSA-N" ; chebi:mass "540.648" ; chebi:monoisotopicmass "540.20942" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102280" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13633" . obo:CHEBI_102281 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26F3N5O4" ; chebi:inchi "InChI=1S/C20H26F3N5O4/c1-31-12-15-10-28(27-26-15)9-8-16-6-7-17(18(11-29)32-16)25-19(30)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,10,16-18,29H,6-9,11-12H2,1H3,(H2,24,25,30)/t16-,17-,18+/m1/s1" ; chebi:inchikey "ZOURSNKVQGBTHH-KURKYZTESA-N" ; chebi:mass "457.448" ; chebi:monoisotopicmass "457.19369" ; chebi:smiles "COCC1=CN(N=N1)CC[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102281" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_102282 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H35N3O5S2" ; chebi:inchi "InChI=1S/C30H35N3O5S2/c1-20-16-33(21(2)18-34)30(35)29-28(24-12-7-8-13-25(24)32(29)4)23-11-6-5-10-22(23)19-38-26(20)17-31(3)40(36,37)27-14-9-15-39-27/h5-15,20-21,26,34H,16-19H2,1-4H3/t20-,21-,26-/m0/s1" ; chebi:inchikey "OMNPDJXLWRDGEE-WOVHNISZSA-N" ; chebi:mass "581.749" ; chebi:monoisotopicmass "581.20181" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102282" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13635" . obo:CHEBI_102283 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H34N4O6" ; chebi:inchi "InChI=1S/C27H34N4O6/c1-30-9-11-31(12-10-30)25(33)15-20-14-22-21-13-18(5-8-23(21)37-26(22)24(16-32)36-20)29-27(34)28-17-3-6-19(35-2)7-4-17/h3-8,13,20,22,24,26,32H,9-12,14-16H2,1-2H3,(H2,28,29,34)/t20-,22-,24-,26+/m1/s1" ; chebi:inchikey "OQZDFPDHTDCUCP-DFICYWPVSA-N" ; chebi:mass "510.583" ; chebi:monoisotopicmass "510.24783" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102283" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_102284 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H25ClF3N3O5" ; chebi:inchi "InChI=1S/C25H25ClF3N3O5/c1-32-19-8-7-15(11-22(33)30-13-25(27,28)29)37-21(19)12-36-20-9-6-14(10-17(20)24(32)35)31-23(34)16-4-2-3-5-18(16)26/h2-6,9-10,15,19,21H,7-8,11-13H2,1H3,(H,30,33)(H,31,34)/t15-,19-,21+/m0/s1" ; chebi:inchikey "KEGRQPVLAXHQPZ-PAXLWEDBSA-N" ; chebi:mass "539.932" ; chebi:monoisotopicmass "539.14348" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102284" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide" . obo:CHEBI_102285 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H33N3O5S" ; chebi:inchi "InChI=1S/C20H33N3O5S/c1-15-5-8-17(9-6-15)29(26,27)22-18-10-7-16(28-19(18)14-24)13-20(25)21-11-4-12-23(2)3/h5-6,8-9,16,18-19,22,24H,4,7,10-14H2,1-3H3,(H,21,25)/t16-,18-,19-/m1/s1" ; chebi:inchikey "ZAZOOTZCNDNOOW-BHIYHBOVSA-N" ; chebi:mass "427.560" ; chebi:monoisotopicmass "427.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102285" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_102286 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H36N2O6S" ; chebi:inchi "InChI=1S/C22H36N2O6S/c1-17(21(29-4)15-23(3)22(26)19-10-12-30-13-11-19)14-24(18(2)16-25)31(27,28)20-8-6-5-7-9-20/h5-9,17-19,21,25H,10-16H2,1-4H3/t17-,18+,21+/m1/s1" ; chebi:inchikey "SLHJHGLJXJFOQY-LQWHRVPQSA-N" ; chebi:mass "456.598" ; chebi:monoisotopicmass "456.22941" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102286" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_102287 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H29F3N4O5" ; chebi:inchi "InChI=1S/C26H29F3N4O5/c1-15-3-5-16(6-4-15)31-25(36)32-17-7-10-21-19(11-17)24(35)33(2)20-9-8-18(38-22(20)13-37-21)12-23(34)30-14-26(27,28)29/h3-7,10-11,18,20,22H,8-9,12-14H2,1-2H3,(H,30,34)(H2,31,32,36)/t18-,20+,22+/m0/s1" ; chebi:inchikey "PPTVZYJXLGYDRY-CZTZKLFOSA-N" ; chebi:mass "534.528" ; chebi:monoisotopicmass "534.20900" ; chebi:smiles "CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@H](O4)CC(=O)NCC(F)(F)F)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102287" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide" . obo:CHEBI_102288 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-29-6-8-30(9-7-29)25(32)13-18-12-20-19-11-17(3-5-21(19)37-26(20)24(14-31)36-18)28-27(33)16-2-4-22-23(10-16)35-15-34-22/h2-5,10-11,18,20,24,26,31H,6-9,12-15H2,1H3,(H,28,33)/t18-,20-,24+,26+/m1/s1" ; chebi:inchikey "WXTNJIBEBHTDAA-ODQDCYGBSA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102288" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102289 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23-,24+,30+/m0/s1" ; chebi:inchikey "VTQGPDBOURHJNB-GBXOJDCZSA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](C)C4=CC=CC=C4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102289" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13642" . obo:CHEBI_10229 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_46688 ; owl:deprecated true . obo:CHEBI_102290 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H27N3O6" ; chebi:inchi "InChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-4-5-19-17(7-15)18-8-16(31-20(12-27)23(18)32-19)9-21(28)25-11-14-3-2-6-24-10-14/h2-7,10,16,18,20,23,27H,8-9,11-13H2,1H3,(H,25,28)(H,26,29)/t16-,18-,20+,23+/m0/s1" ; chebi:inchikey "HQZJCXNXJWTAKA-VSCJKUSUSA-N" ; chebi:mass "441.478" ; chebi:monoisotopicmass "441.18999" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102290" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_102291 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35FN4O6" ; chebi:inchi "InChI=1S/C27H35FN4O6/c1-17-13-32(25(33)16-36-4)18(2)15-38-23-10-9-21(12-22(23)26(34)31(3)14-24(17)37-5)30-27(35)29-20-8-6-7-19(28)11-20/h6-12,17-18,24H,13-16H2,1-5H3,(H2,29,30,35)/t17-,18+,24-/m0/s1" ; chebi:inchikey "ZQFWKBSGTDYKBN-RHGYRFJNSA-N" ; chebi:mass "530.589" ; chebi:monoisotopicmass "530.25406" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102291" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4R,7S,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102292 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17-,19+,20+/m1/s1" ; chebi:inchikey "WNHZFTQVONQUSH-BEKAIBRUSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102292" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13645" . obo:CHEBI_102293 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O5" ; chebi:inchi "InChI=1S/C30H38ClN5O5/c1-35-25-11-10-23(18-28(37)32-13-16-36-14-3-2-4-15-36)41-27(25)19-40-26-12-9-22(17-24(26)29(35)38)34-30(39)33-21-7-5-20(31)6-8-21/h5-9,12,17,23,25,27H,2-4,10-11,13-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t23-,25+,27-/m1/s1" ; chebi:inchikey "XIGYLWQKLZSYNZ-NRRYGQPISA-N" ; chebi:mass "584.107" ; chebi:monoisotopicmass "583.25615" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102293" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102294 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H32ClN3O5" ; chebi:inchi "InChI=1S/C26H32ClN3O5/c1-17(18-6-3-2-4-7-18)28-25(32)13-22-10-11-23-24(35-22)16-34-15-21(31)14-30(23)26(33)29-20-9-5-8-19(27)12-20/h2-9,12,17,21-24,31H,10-11,13-16H2,1H3,(H,28,32)(H,29,33)/t17-,21+,22-,23-,24+/m1/s1" ; chebi:inchikey "QYSMODXJNCJWNA-UZKJWJASSA-N" ; chebi:mass "502.003" ; chebi:monoisotopicmass "501.20305" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102294" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8R,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102295 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H34FN3O4" ; chebi:inchi "InChI=1S/C30H34FN3O4/c1-20-16-34(21(2)18-35)29(36)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-38-28(20)17-33(3)30(37)32-24-14-12-23(31)13-15-24/h4-15,20-21,28,35H,16-19H2,1-3H3,(H,32,37)/t20-,21+,28+/m0/s1" ; chebi:inchikey "CYZHERASHFZITE-BALWLHIASA-N" ; chebi:mass "519.608" ; chebi:monoisotopicmass "519.25333" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102295" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13648" . obo:CHEBI_102296 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H32N2O5S2" ; chebi:inchi "InChI=1S/C27H32N2O5S2/c1-19-14-29(20(2)16-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-21(23)17-34-26(19)15-28(3)36(32,33)22-12-13-35-18-22/h4-13,18-20,26,30H,14-17H2,1-3H3/t19-,20-,26-/m1/s1" ; chebi:inchikey "ROXJHZXKWGUYER-XMERXJNXSA-N" ; chebi:mass "528.687" ; chebi:monoisotopicmass "528.17526" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CSC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102296" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13649" . obo:CHEBI_102297 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-3-10-28-25(31)13-18-6-7-20-24(37-18)14-34-21-9-5-17(12-19(21)27(33)30(20)2)29-26(32)16-4-8-22-23(11-16)36-15-35-22/h4-5,8-9,11-12,18,20,24H,3,6-7,10,13-15H2,1-2H3,(H,28,31)(H,29,32)/t18-,20+,24-/m0/s1" ; chebi:inchikey "OHHWUSSTVAUIQP-NRYAXDJKSA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N2C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102297" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102298 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H37FN4O3S" ; chebi:inchi "InChI=1S/C31H37FN4O3S/c1-31(2,3)40(39)36-20-23-19-26(30(38)35-15-13-34(4)14-16-35)33-29(28(23)27(36)12-17-37)22-9-7-8-21(18-22)24-10-5-6-11-25(24)32/h5-11,18-19,27,37H,12-17,20H2,1-4H3/t27-,40-/m0/s1" ; chebi:inchikey "SXBHHBYKOFATQA-PDBZVODSSA-N" ; chebi:mass "564.716" ; chebi:monoisotopicmass "564.25704" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4F)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102298" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_102299 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H26FN3O6S" ; chebi:inchi "InChI=1S/C26H26FN3O6S/c27-17-3-6-20(7-4-17)37(33,34)30-18-5-8-23-21(10-18)22-11-19(35-24(15-31)26(22)36-23)12-25(32)29-14-16-2-1-9-28-13-16/h1-10,13,19,22,24,26,30-31H,11-12,14-15H2,(H,29,32)/t19-,22+,24-,26-/m1/s1" ; chebi:inchikey "MZNDQAVBBCTOIA-OLTCJGHMSA-N" ; chebi:mass "527.567" ; chebi:monoisotopicmass "527.15263" ; chebi:smiles "C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102299" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_1023 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18112 ; owl:deprecated true . obo:CHEBI_10230 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27525 ; owl:deprecated true . obo:CHEBI_102300 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b225 rdf:type owl:Restriction . obo:CHEBI_102300 rdfs:subClassOf _:b225 . _:b225 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_102300 chebi:charge "0" ; chebi:formula "C25H36N4O4" ; chebi:inchi "InChI=1S/C25H36N4O4/c30-16-19-20-15-29-21(8-7-18(25(29)32)17-5-2-1-3-6-17)23(27-20)22(19)24(31)26-9-4-10-28-11-13-33-14-12-28/h5,7-8,19-20,22-23,27,30H,1-4,6,9-16H2,(H,26,31)/t19-,20-,22+,23+/m0/s1" ; chebi:inchikey "QXIHUUSMHZUCPE-JFJDKTSWSA-N" ; chebi:mass "456.579" ; chebi:monoisotopicmass "456.27366" ; chebi:smiles "C1CCC(=CC1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4)CN3C2=O)CO)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102300" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13653" . obo:CHEBI_102301 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H27FN2O5S" ; chebi:inchi "InChI=1S/C20H27FN2O5S/c21-14-6-9-17(10-7-14)29(26,27)23-18-11-8-16(28-19(18)13-24)12-20(25)22-15-4-2-1-3-5-15/h6-11,15-16,18-19,23-24H,1-5,12-13H2,(H,22,25)/t16-,18-,19+/m1/s1" ; chebi:inchikey "VZTWMEPVNSFWIB-QRQLOZEOSA-N" ; chebi:mass "426.504" ; chebi:monoisotopicmass "426.16247" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102301" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-cyclohexyl-2-[(2R,3R,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102302 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H34N2O7S" ; chebi:inchi "InChI=1S/C25H34N2O7S/c1-17-6-9-21(10-7-17)35(30,31)27(19(3)15-28)13-18(2)24(32-5)14-26(4)25(29)20-8-11-22-23(12-20)34-16-33-22/h6-12,18-19,24,28H,13-16H2,1-5H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "XFQUVXMASIHRAZ-XLNZFTOWSA-N" ; chebi:mass "506.614" ; chebi:monoisotopicmass "506.20867" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102302" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102303 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-17(2)26-24(29)25-15-14-20-10-13-22(23(16-28)33-20)27-34(30,31)21-11-8-19(9-12-21)32-18-6-4-3-5-7-18/h3-9,11-12,17,20,22-23,27-28H,10,13-16H2,1-2H3,(H2,25,26,29)/t20-,22+,23+/m1/s1" ; chebi:inchikey "URVFCIGKBRHLNA-PUHATCMVSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "CC(C)NC(=O)NCC[C@H]1CC[C@@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102303" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea" . obo:CHEBI_102304 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H34FN3O4" ; chebi:inchi "InChI=1S/C30H34FN3O4/c1-20-16-34(21(2)18-35)29(36)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-38-28(20)17-33(3)30(37)32-24-14-12-23(31)13-15-24/h4-15,20-21,28,35H,16-19H2,1-3H3,(H,32,37)/t20-,21+,28-/m0/s1" ; chebi:inchikey "CYZHERASHFZITE-GTNJKRJXSA-N" ; chebi:mass "519.608" ; chebi:monoisotopicmass "519.25333" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102304" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13657" . obo:CHEBI_102305 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H34N4O6S" ; chebi:inchi "InChI=1S/C23H34N4O6S/c1-4-34(30,31)24-16-5-8-20-18(13-16)23(29)26(3)19-7-6-17(33-21(19)15-32-20)14-22(28)27-11-9-25(2)10-12-27/h5,8,13,17,19,21,24H,4,6-7,9-12,14-15H2,1-3H3/t17-,19-,21+/m0/s1" ; chebi:inchikey "RRCKKFPVDDPSKT-HFSMHLIXSA-N" ; chebi:mass "494.606" ; chebi:monoisotopicmass "494.21991" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@H](O3)CC(=O)N4CCN(CC4)C)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102305" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]ethanesulfonamide" . obo:CHEBI_102306 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H32N4O3" ; chebi:inchi "InChI=1S/C25H32N4O3/c1-28-22-19(20(15-30)23(28)24(31)27-12-16-6-3-2-4-7-16)14-29-21(22)10-9-18(25(29)32)17-8-5-11-26-13-17/h5,8-11,13,16,19-20,22-23,30H,2-4,6-7,12,14-15H2,1H3,(H,27,31)/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "ODVRBXJNMOGDSF-RLBLXZPPSA-N" ; chebi:mass "436.548" ; chebi:monoisotopicmass "436.24744" ; chebi:smiles "CN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CN=CC=C4)[C@@H]([C@H]1C(=O)NCC5CCCCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102306" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-(cyclohexylmethyl)-3-(hydroxymethyl)-1-methyl-6-oxo-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102307 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H38N4O5" ; chebi:inchi "InChI=1S/C25H38N4O5/c1-15(2)26-25(32)29-12-16(3)22(33-6)13-28(5)24(31)20-11-19(27-23(30)18-7-8-18)9-10-21(20)34-14-17(29)4/h9-11,15-18,22H,7-8,12-14H2,1-6H3,(H,26,32)(H,27,30)/t16-,17-,22-/m0/s1" ; chebi:inchikey "CYXOTKWKLUXHGN-HOIFWPIMSA-N" ; chebi:mass "474.594" ; chebi:monoisotopicmass "474.28422" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102307" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7S,8R)-14-[[cyclopropyl(oxo)methyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_102308 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-16(17-7-3-2-4-8-17)25-23(29)14-19-10-11-20(21(15-27)30-19)26-22(28)13-18-9-5-6-12-24-18/h2-12,16,19-21,27H,13-15H2,1H3,(H,25,29)(H,26,28)/t16-,19-,20-,21+/m1/s1" ; chebi:inchikey "GWEQQAXOIQTOQH-OTNPHJDUSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102308" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102309 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C26H32F3N3O4" ; chebi:inchi "InChI=1S/C26H32F3N3O4/c27-26(28,29)20-3-1-2-19(12-20)14-32-15-21(33)16-35-17-24-23(32)5-4-22(36-24)13-25(34)31-11-8-18-6-9-30-10-7-18/h1-3,6-7,9-10,12,21-24,33H,4-5,8,11,13-17H2,(H,31,34)/t21-,22+,23-,24+/m1/s1" ; chebi:inchikey "QCHQNBIYSRQADD-QPXUXIHVSA-N" ; chebi:mass "507.546" ; chebi:monoisotopicmass "507.23449" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@@H]1CC(=O)NCCC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102309" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_10231 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28061 ; owl:deprecated true . obo:CHEBI_102310 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H32N4O6" ; chebi:inchi "InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16-,17-,18+/m1/s1" ; chebi:inchikey "XOXZVIQHUYDNGA-TVFCKZIOSA-N" ; chebi:mass "436.503" ; chebi:monoisotopicmass "436.23218" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4CC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102310" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8R,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102311 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H15FN2O2" ; chebi:inchi "InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16-,17+/m1/s1" ; chebi:inchikey "BPKNALSRVQDTLI-ZACQAIPSSA-N" ; chebi:mass "310.323" ; chebi:monoisotopicmass "310.11176" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@H](N([C@@H]2C#N)C(=O)C3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102311" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_102312 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H20N2O3S" ; chebi:inchi "InChI=1S/C17H20N2O3S/c1-3-4-5-6-13-7-9-14(10-8-13)17-15(11-18)19(16(17)12-20)23(2,21)22/h7-10,15-17,20H,3-4,12H2,1-2H3/t15-,16+,17+/m1/s1" ; chebi:inchikey "COUPNDMEVDHIHS-IKGGRYGDSA-N" ; chebi:mass "332.419" ; chebi:monoisotopicmass "332.11946" ; chebi:smiles "CCCC#CC1=CC=C(C=C1)[C@@H]2[C@@H](N([C@@H]2C#N)S(=O)(=O)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102312" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile" . obo:CHEBI_102313 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C15H16FNO5" ; chebi:inchi "InChI=1S/C15H16FNO5/c16-11-4-2-1-3-10(11)15(21)17-12-6-5-9(7-14(19)20)22-13(12)8-18/h1-6,9,12-13,18H,7-8H2,(H,17,21)(H,19,20)/t9-,12+,13+/m1/s1" ; chebi:inchikey "QPJNNDOFKLWHFX-ICCXJUOJSA-N" ; chebi:mass "309.290" ; chebi:monoisotopicmass "309.10125" ; chebi:smiles "C1=CC=C(C(=C1)C(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)O)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102313" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid" . obo:CHEBI_102314 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H43N5O4S" ; chebi:inchi "InChI=1S/C34H43N5O4S/c1-34(2,3)44(43)39-22-27-21-28(33(42)38-17-15-37(6)16-18-38)35-31(30(27)29(39)14-19-40)26-9-7-8-25(20-26)23-10-12-24(13-11-23)32(41)36(4)5/h7-13,20-21,29,40H,14-19,22H2,1-6H3/t29-,44-/m1/s1" ; chebi:inchikey "IQZRUSWQLPQALK-FUGCVYLMSA-N" ; chebi:mass "617.804" ; chebi:monoisotopicmass "617.30358" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102314" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_102315 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51569 ; chebi:charge "0" ; chebi:formula "C27H30N2O5" ; chebi:inchi "InChI=1S/C27H30N2O5/c1-34-27(33)24-21(16-30)20-15-28-22(23(20)29(24)26(32)18-9-5-6-10-18)14-13-19(25(28)31)12-11-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,20-21,23-24,30H,5-6,9-10,15-16H2,1H3/t20-,21-,23+,24-/m1/s1" ; chebi:inchikey "SPQKGDIXEATJCL-CJTFWIGWSA-N" ; chebi:mass "462.539" ; chebi:monoisotopicmass "462.21547" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]2N1C(=O)C5CCCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102315" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13668" . obo:CHEBI_102316 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27N5O3" ; chebi:inchi "InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20-,22+/m1/s1" ; chebi:inchikey "HKZRXKNGDCOEMV-SJBKTWHCSA-N" ; chebi:mass "421.493" ; chebi:monoisotopicmass "421.21139" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CCN2C=C(N=N2)C3=CC=CC=C3)CO)NC(=O)CC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102316" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_102317 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O4" ; chebi:inchi "InChI=1S/C26H36N4O4/c1-6-25(31)28-21-7-8-23-22(13-21)26(32)29(4)16-24(33-5)18(2)14-30(19(3)17-34-23)15-20-9-11-27-12-10-20/h7-13,18-19,24H,6,14-17H2,1-5H3,(H,28,31)/t18-,19+,24+/m0/s1" ; chebi:inchikey "AICRRUIGWBNRBB-XLNZFTOWSA-N" ; chebi:mass "468.589" ; chebi:monoisotopicmass "468.27366" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102317" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_102318 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-9-26(31)28-22-12-13-24-23(14-22)27(32)29(4)17-25(33-5)19(2)15-30(20(3)18-34-24)16-21-10-7-8-11-21/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20+,25+/m1/s1" ; chebi:inchikey "VSOIFNIWZGPCNV-RNHFSVANSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102318" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_102319 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-27-23(16-21(36-25)17-26(34)29-11-14-32-12-5-2-6-13-32)22-15-20(9-10-24(22)37-27)31-28(35)30-19-7-3-1-4-8-19/h1,3-4,7-10,15,21,23,25,27,33H,2,5-6,11-14,16-18H2,(H,29,34)(H2,30,31,35)/t21-,23-,25+,27+/m1/s1" ; chebi:inchikey "VIZOEWJOWGMLTK-RESCMLIYSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102319" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_10232 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17973 ; owl:deprecated true . obo:CHEBI_102320 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H29FN2O4" ; chebi:inchi "InChI=1S/C25H29FN2O4/c1-32-25(31)22-18(14-29)21-13-28-20(23(22)27(21)12-15-6-2-3-7-15)11-10-17(24(28)30)16-8-4-5-9-19(16)26/h4-5,8-11,15,18,21-23,29H,2-3,6-7,12-14H2,1H3/t18-,21-,22+,23+/m1/s1" ; chebi:inchikey "PYNGVIMXOMYUPN-QQUTXWOLSA-N" ; chebi:mass "440.508" ; chebi:monoisotopicmass "440.21114" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@@H]1N2CC5CCCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102320" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13673" . obo:CHEBI_102321 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H24F5N3O4" ; chebi:inchi "InChI=1S/C23H24F5N3O4/c24-15-7-13(8-16(25)9-15)11-29-21(33)10-18-5-6-19(20(12-32)35-18)31-22(34)30-17-3-1-14(2-4-17)23(26,27)28/h1-4,7-9,18-20,32H,5-6,10-12H2,(H,29,33)(H2,30,31,34)/t18-,19-,20+/m0/s1" ; chebi:inchikey "CXBDXCVDLXJCMX-SLFFLAALSA-N" ; chebi:mass "501.447" ; chebi:monoisotopicmass "501.16870" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)NCC2=CC(=CC(=C2)F)F)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102321" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,5-difluorophenyl)methyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102322 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-18-13-30(14-21-8-6-7-11-27-21)19(2)16-35-23-10-9-20(28-25(31)17-33-4)12-22(23)26(32)29(3)15-24(18)34-5/h6-12,18-19,24H,13-17H2,1-5H3,(H,28,31)/t18-,19+,24-/m1/s1" ; chebi:inchikey "FQDNKYOBJJPTQR-YDIMBITNSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102322" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_102323 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C31H40N4O7" ; chebi:inchi "InChI=1S/C31H40N4O7/c1-34-26-9-8-24(19-29(36)32-11-4-12-35-13-15-40-16-14-35)42-28(26)20-41-27-10-7-22(18-25(27)31(34)38)33-30(37)21-5-3-6-23(17-21)39-2/h3,5-7,10,17-18,24,26,28H,4,8-9,11-16,19-20H2,1-2H3,(H,32,36)(H,33,37)/t24-,26+,28-/m1/s1" ; chebi:inchikey "ADKYEMYUARXISC-MAARLIENSA-N" ; chebi:mass "580.673" ; chebi:monoisotopicmass "580.28970" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102323" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide" . obo:CHEBI_102324 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H36N4O4" ; chebi:inchi "InChI=1S/C27H36N4O4/c1-2-30-23-17-31-22(10-9-20(27(31)34)19-7-4-3-5-8-19)25(30)24(21(23)18-32)26(33)28-11-6-12-29-13-15-35-16-14-29/h3-5,7-10,21,23-25,32H,2,6,11-18H2,1H3,(H,28,33)/t21-,23-,24+,25+/m0/s1" ; chebi:inchikey "VXNMHMGWLBIVRP-VLYJIQRVSA-N" ; chebi:mass "480.600" ; chebi:monoisotopicmass "480.27366" ; chebi:smiles "CCN1[C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102324" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13677" . obo:CHEBI_102325 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30ClFN2O5S" ; chebi:inchi "InChI=1S/C23H30ClFN2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "FWFBMTYWKZBKQZ-GSHUGGBRSA-N" ; chebi:mass "501.013" ; chebi:monoisotopicmass "500.15480" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102325" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_102326 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24+,25-,31-/m0/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-PBANKSGMSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102326" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13679" . obo:CHEBI_102327 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_7983 ; owl:deprecated true . obo:CHEBI_102328 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39410 ; rdfs:subClassOf obo:CHEBI_3992 ; rdfs:subClassOf obo:CHEBI_67142 . _:b226 rdf:type owl:Restriction . obo:CHEBI_102328 rdfs:subClassOf _:b226 . _:b226 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_102368 . _:b227 rdf:type owl:Restriction . obo:CHEBI_102328 rdfs:subClassOf _:b227 . _:b227 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . obo:CHEBI_102328 obo:IAO_0000115 "A nucleobase analogue that is thymine in which the CH group at position 6 is replaced by nitrogen." ; chebi:charge "0" ; chebi:formula "C4H5N3O2" ; chebi:inchi "InChI=1S/C4H5N3O2/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)" ; chebi:inchikey "XZWMZFQOHTWGQE-UHFFFAOYSA-N" ; chebi:mass "127.102" ; chebi:monoisotopicmass "127.03818" ; chebi:smiles "N1=C(C)C(NC(N1)=O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102328" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "6-azathymine" . obo:CHEBI_102329 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33ClN2O4S" ; chebi:inchi "InChI=1S/C23H33ClN2O4S/c1-18(14-26(19(2)17-27)15-20-10-8-9-13-22(20)24)23(30-4)16-25(3)31(28,29)21-11-6-5-7-12-21/h5-13,18-19,23,27H,14-17H2,1-4H3/t18-,19-,23-/m0/s1" ; chebi:inchikey "BNYRIOADMGPGIR-YDHSSHFGSA-N" ; chebi:mass "469.039" ; chebi:monoisotopicmass "468.18496" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102329" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_10233 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17954 ; owl:deprecated true . obo:CHEBI_102330 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H30F2N2O6" ; chebi:inchi "InChI=1S/C27H30F2N2O6/c28-17-1-3-22(29)16(9-17)13-30-25(33)12-19-11-21-20-10-18(31-27(34)15-5-7-35-8-6-15)2-4-23(20)37-26(21)24(14-32)36-19/h1-4,9-10,15,19,21,24,26,32H,5-8,11-14H2,(H,30,33)(H,31,34)/t19-,21+,24+,26-/m0/s1" ; chebi:inchikey "UVPONYOZSFJNDG-RDCZCFFCSA-N" ; chebi:mass "516.535" ; chebi:monoisotopicmass "516.20719" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102330" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102331 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H37FN4O6S" ; chebi:inchi "InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25+,27-/m1/s1" ; chebi:inchikey "TUUZOQPHVDGSNW-BUALBWRZSA-N" ; chebi:mass "588.693" ; chebi:monoisotopicmass "588.24178" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102331" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102332 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C27H33N3O4" ; chebi:inchi "InChI=1S/C27H33N3O4/c1-28(2)27(33)24-20(16-31)22-15-30-21(13-12-19(26(30)32)17-8-4-5-9-17)25(24)29(22)14-18-10-6-7-11-23(18)34-3/h6-8,10-13,20,22,24-25,31H,4-5,9,14-16H2,1-3H3/t20-,22-,24+,25+/m0/s1" ; chebi:inchikey "CAYQEZITEZQLOQ-MMTHZHQFSA-N" ; chebi:mass "463.570" ; chebi:monoisotopicmass "463.24711" ; chebi:smiles "CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@H]1N2CC5=CC=CC=C5OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102332" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13684" . obo:CHEBI_102333 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "0" ; chebi:formula "C19H26Cl2N2O4" ; chebi:inchi "InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14+,17+,18-/m0/s1" ; chebi:inchikey "ZCDZHCWZNJFIKB-JFTQMJAMSA-N" ; chebi:mass "417.327" ; chebi:monoisotopicmass "416.12696" ; chebi:smiles "CNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102333" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide" . obo:CHEBI_102334 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C25H37N5O4" ; chebi:inchi "InChI=1S/C25H37N5O4/c1-33-20-7-5-19(6-8-20)23-17-30(28-27-23)16-11-21-9-10-22(24(18-31)34-21)26-25(32)12-15-29-13-3-2-4-14-29/h5-8,17,21-22,24,31H,2-4,9-16,18H2,1H3,(H,26,32)/t21-,22-,24-/m0/s1" ; chebi:inchikey "CTEVGNUGMCZMIF-FIXSFTCYSA-N" ; chebi:mass "471.593" ; chebi:monoisotopicmass "471.28455" ; chebi:smiles "COC1=CC=C(C=C1)C2=CN(N=N2)CC[C@@H]3CC[C@@H]([C@@H](O3)CO)NC(=O)CCN4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102334" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_102335 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H33FN2O5S" ; chebi:inchi "InChI=1S/C24H33FN2O5S/c1-17-10-12-20(13-11-17)33(30,31)27(19(3)16-28)14-18(2)23(32-5)15-26(4)24(29)21-8-6-7-9-22(21)25/h6-13,18-19,23,28H,14-16H2,1-5H3/t18-,19+,23-/m1/s1" ; chebi:inchikey "NDGBDPWBOPYDPZ-SELNLUPBSA-N" ; chebi:mass "480.595" ; chebi:monoisotopicmass "480.20942" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102335" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2S,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_102336 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27N5O3" ; chebi:inchi "InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20-,22-/m1/s1" ; chebi:inchikey "HKZRXKNGDCOEMV-KCZVDYSFSA-N" ; chebi:mass "421.493" ; chebi:monoisotopicmass "421.21139" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCN2C=C(N=N2)C3=CC=CC=C3)CO)NC(=O)CC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102336" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_102337 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31FN2O5S" ; chebi:inchi "InChI=1S/C23H31FN2O5S/c1-17(14-26(18(2)16-27)32(29,30)19-10-6-5-7-11-19)22(31-4)15-25(3)23(28)20-12-8-9-13-21(20)24/h5-13,17-18,22,27H,14-16H2,1-4H3/t17-,18+,22+/m0/s1" ; chebi:inchikey "CZAUCXDPQANXEN-NJNPRVFISA-N" ; chebi:mass "466.568" ; chebi:monoisotopicmass "466.19377" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102337" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_102338 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H28N4O4" ; chebi:inchi "InChI=1S/C22H28N4O4/c27-15-20-19(26-22(29)13-17-3-1-2-9-24-17)5-4-18(30-20)14-21(28)25-12-8-16-6-10-23-11-7-16/h1-3,6-7,9-11,18-20,27H,4-5,8,12-15H2,(H,25,28)(H,26,29)/t18-,19-,20-/m0/s1" ; chebi:inchikey "GUCCOCGWZUYAMY-UFYCRDLUSA-N" ; chebi:mass "412.483" ; chebi:monoisotopicmass "412.21106" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102338" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102339 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O7" ; chebi:inchi "InChI=1S/C26H40N4O7/c1-18-13-30(25(32)15-29-8-10-36-11-9-29)19(2)16-37-22-12-20(27-24(31)17-34-4)6-7-21(22)26(33)28(3)14-23(18)35-5/h6-7,12,18-19,23H,8-11,13-17H2,1-5H3,(H,27,31)/t18-,19-,23-/m1/s1" ; chebi:inchikey "SLSZBTPAWGPDLP-DNVFCKCGSA-N" ; chebi:mass "520.619" ; chebi:monoisotopicmass "520.28970" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)CN3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102339" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-8-[2-(4-morpholinyl)-1-oxoethyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10234 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28754 ; owl:deprecated true . obo:CHEBI_102340 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25ClN2O6" ; chebi:inchi "InChI=1S/C24H25ClN2O6/c1-27-19-8-7-17(12-22(28)31-2)33-21(19)13-32-20-9-6-16(11-18(20)24(27)30)26-23(29)14-4-3-5-15(25)10-14/h3-6,9-11,17,19,21H,7-8,12-13H2,1-2H3,(H,26,29)/t17-,19-,21-/m1/s1" ; chebi:inchikey "PZXWXIAUASIELU-YFVAEKQCSA-N" ; chebi:mass "472.919" ; chebi:monoisotopicmass "472.14011" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102340" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_102341 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O8S" ; chebi:inchi "InChI=1S/C26H32N2O8S/c1-17-2-6-21(7-3-17)37(31,32)28-13-19(29)14-33-15-25-22(28)8-5-20(36-25)11-26(30)27-12-18-4-9-23-24(10-18)35-16-34-23/h2-4,6-7,9-10,19-20,22,25,29H,5,8,11-16H2,1H3,(H,27,30)/t19-,20+,22+,25-/m0/s1" ; chebi:inchikey "HNAQDDNENYJUKU-SJHHWCTQSA-N" ; chebi:mass "532.608" ; chebi:monoisotopicmass "532.18794" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102341" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102342 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H32N4O6" ; chebi:inchi "InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16+,17-,18+/m1/s1" ; chebi:inchikey "XOXZVIQHUYDNGA-XDNAFOTISA-N" ; chebi:mass "436.503" ; chebi:monoisotopicmass "436.23218" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4CC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102342" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102343 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H34N4O7" ; chebi:inchi "InChI=1S/C24H34N4O7/c1-26-6-8-27(9-7-26)23(30)11-18-3-4-19-22(35-18)14-32-13-17(29)12-28(19)24(31)25-16-2-5-20-21(10-16)34-15-33-20/h2,5,10,17-19,22,29H,3-4,6-9,11-15H2,1H3,(H,25,31)/t17-,18-,19-,22+/m0/s1" ; chebi:inchikey "QICYWJCDSALLPT-ZVVDCOBXSA-N" ; chebi:mass "490.550" ; chebi:monoisotopicmass "490.24275" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)NC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102343" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102344 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C34H43N3O4" ; chebi:inchi "InChI=1S/C34H43N3O4/c1-24-20-37(25(2)22-38)33(39)30-18-12-11-17-29(30)28-16-10-9-15-27(28)23-41-32(24)21-36(5)34(40)31(35(3)4)19-26-13-7-6-8-14-26/h6-18,24-25,31-32,38H,19-23H2,1-5H3/t24-,25+,31+,32+/m0/s1" ; chebi:inchikey "ZQFGNRPCSITOFH-UADZGEIMSA-N" ; chebi:mass "557.724" ; chebi:monoisotopicmass "557.32536" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102344" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13696" . obo:CHEBI_102345 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N3O5" ; chebi:inchi "InChI=1S/C32H47N3O5/c1-23-20-35(24(2)22-36)32(38)28-19-27(33(4)5)15-16-29(28)40-25(3)12-10-11-17-39-30(23)21-34(6)31(37)18-26-13-8-7-9-14-26/h7-9,13-16,19,23-25,30,36H,10-12,17-18,20-22H2,1-6H3/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "ZGCRSIABJPRXFC-RZDWVWPCSA-N" ; chebi:mass "553.734" ; chebi:monoisotopicmass "553.35157" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102345" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_102346 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H37FN4O3" ; chebi:inchi "InChI=1S/C29H37FN4O3/c1-21(17-34(22(2)20-35)29(36)32-26-14-12-25(30)13-15-26)28(37-4)19-33(3)18-23-8-10-24(11-9-23)27-7-5-6-16-31-27/h5-16,21-22,28,35H,17-20H2,1-4H3,(H,32,36)/t21-,22-,28-/m0/s1" ; chebi:inchikey "XSSRKRLNCLGOQF-VPYPWEPUSA-N" ; chebi:mass "508.629" ; chebi:monoisotopicmass "508.28497" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=CC=C(C=C2)C3=CC=CC=N3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102346" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea" . obo:CHEBI_102347 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(18(3)31)17(2)15-35-23-11-10-19(28-25(32)20-8-6-7-9-22(20)27)12-21(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,32)/t16-,17-,24-/m1/s1" ; chebi:inchikey "MJQDMCPXEXXQJL-HOZJOUCCSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102347" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide" . obo:CHEBI_102348 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33N3O6S" ; chebi:inchi "InChI=1S/C23H33N3O6S/c1-26-19-10-9-17(13-22(27)24-15-6-4-3-5-7-15)32-21(19)14-31-20-11-8-16(25-33(2,29)30)12-18(20)23(26)28/h8,11-12,15,17,19,21,25H,3-7,9-10,13-14H2,1-2H3,(H,24,27)/t17-,19+,21-/m1/s1" ; chebi:inchikey "VOOHCFNIWPJMMM-SLYNCCJLSA-N" ; chebi:mass "479.592" ; chebi:monoisotopicmass "479.20901" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102348" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-cyclohexylacetamide" . obo:CHEBI_102349 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H32FN5O5S" ; chebi:inchi "InChI=1S/C21H32FN5O5S/c1-15(19(32-5)11-26(4)33(30,31)20-12-25(3)14-23-20)10-27(16(2)13-28)21(29)24-18-8-6-17(22)7-9-18/h6-9,12,14-16,19,28H,10-11,13H2,1-5H3,(H,24,29)/t15-,16-,19-/m1/s1" ; chebi:inchikey "APPCZAALLCDYNG-GPMSIDNRSA-N" ; chebi:mass "485.575" ; chebi:monoisotopicmass "485.21082" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102349" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]urea" . obo:CHEBI_10235 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28347 ; owl:deprecated true . obo:CHEBI_102350 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N5O4" ; chebi:inchi "InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18+,23-/m1/s1" ; chebi:inchikey "ZGJMWZDWXNCIBA-IEGUWTFLSA-N" ; chebi:mass "469.577" ; chebi:monoisotopicmass "469.26890" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102350" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102351 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-34-23-5-3-2-4-18(23)19-8-9-21-25-24(27(33)28-10-12-35-13-11-28)20(16-31)22(15-30(21)26(19)32)29(25)14-17-6-7-17/h2-5,8-9,17,20,22,24-25,31H,6-7,10-16H2,1H3/t20-,22-,24+,25+/m0/s1" ; chebi:inchikey "ZZGFZYXZJHIJMZ-MMTHZHQFSA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4CC5CC5)CN3C2=O)CO)C(=O)N6CCOCC6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102351" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13703" . obo:CHEBI_102352 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c1-18-15-30(20(3)31)19(2)17-35-24-12-11-22(28-26(32)13-21-9-7-6-8-10-21)14-23(24)27(33)29(4)16-25(18)34-5/h6-12,14,18-19,25H,13,15-17H2,1-5H3,(H,28,32)/t18-,19+,25+/m0/s1" ; chebi:inchikey "BBRWISDMGXAAHU-OSWQYVSFSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102352" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_102353 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H25N3O6S" ; chebi:inchi "InChI=1S/C21H25N3O6S/c1-31(27,28)24-13-5-6-18-16(8-13)17-9-15(29-19(12-25)21(17)30-18)10-20(26)23-11-14-4-2-3-7-22-14/h2-8,15,17,19,21,24-25H,9-12H2,1H3,(H,23,26)/t15-,17+,19-,21-/m1/s1" ; chebi:inchikey "JZVGIVMTJSWJDH-UKHYVGRKSA-N" ; chebi:mass "447.507" ; chebi:monoisotopicmass "447.14641" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102353" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_102354 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C27H33FN4O5" ; chebi:inchi "InChI=1S/C27H33FN4O5/c1-16(2)30-27(35)31-19-8-11-23-21(12-19)26(34)32(3)22-10-9-20(37-24(22)15-36-23)13-25(33)29-14-17-4-6-18(28)7-5-17/h4-8,11-12,16,20,22,24H,9-10,13-15H2,1-3H3,(H,29,33)(H2,30,31,35)/t20-,22+,24-/m0/s1" ; chebi:inchikey "CMDXATVLXHEPLP-FJIJXJHWSA-N" ; chebi:mass "512.574" ; chebi:monoisotopicmass "512.24350" ; chebi:smiles "CC(C)NC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@H](O3)CC(=O)NCC4=CC=C(C=C4)F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102354" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_102355 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C15H24F3NO5" ; chebi:inchi "InChI=1S/C15H24F3NO5/c1-22-14(21)6-11-2-3-12-13(24-11)9-23-8-10(20)7-19(12)5-4-15(16,17)18/h10-13,20H,2-9H2,1H3/t10-,11-,12-,13+/m1/s1" ; chebi:inchikey "NGKDTDLAKVOKMV-LPWJVIDDSA-N" ; chebi:mass "355.351" ; chebi:monoisotopicmass "355.16066" ; chebi:smiles "COC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2CCC(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102355" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_102356 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-16-32(21(2)18-33)28(34)25-13-8-7-12-24(25)23-11-6-5-10-22(23)19-36-27(20)17-31(4)29(35)26-14-9-15-30(26)3/h5-8,10-13,20-21,26-27,33H,9,14-19H2,1-4H3/t20-,21-,26-,27+/m1/s1" ; chebi:inchikey "PIMBJQHAALXIRA-VCKVZLKQSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H]4CCCN4C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102356" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13708" . obo:CHEBI_102357 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H27N3O6" ; chebi:inchi "InChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-4-5-19-17(7-15)18-8-16(31-20(12-27)23(18)32-19)9-21(28)25-11-14-3-2-6-24-10-14/h2-7,10,16,18,20,23,27H,8-9,11-13H2,1H3,(H,25,28)(H,26,29)/t16-,18+,20+,23-/m0/s1" ; chebi:inchikey "HQZJCXNXJWTAKA-MVIJMRCYSA-N" ; chebi:mass "441.478" ; chebi:monoisotopicmass "441.18999" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102357" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_102358 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H34F3N3O4" ; chebi:inchi "InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-41-28(20)17-36(3)30(40)35-27-15-9-8-14-26(27)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21-,28+/m1/s1" ; chebi:inchikey "AAENOGRDWGDRJO-CJYOKPGZSA-N" ; chebi:mass "569.616" ; chebi:monoisotopicmass "569.25014" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC=C4C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102358" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13710" . obo:CHEBI_102359 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H36N2O6S" ; chebi:inchi "InChI=1S/C22H36N2O6S/c1-17(21(29-4)15-23(3)22(26)19-10-12-30-13-11-19)14-24(18(2)16-25)31(27,28)20-8-6-5-7-9-20/h5-9,17-19,21,25H,10-16H2,1-4H3/t17-,18+,21+/m0/s1" ; chebi:inchikey "SLHJHGLJXJFOQY-WAOWUJCRSA-N" ; chebi:mass "456.598" ; chebi:monoisotopicmass "456.22941" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102359" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_10236 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18217 ; owl:deprecated true . obo:CHEBI_102360 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H39N3O8S" ; chebi:inchi "InChI=1S/C25H39N3O8S/c1-33-20-4-2-5-22(14-20)37(31,32)28-16-19(29)17-35-18-24-23(28)7-6-21(36-24)15-25(30)26-8-3-9-27-10-12-34-13-11-27/h2,4-5,14,19,21,23-24,29H,3,6-13,15-18H2,1H3,(H,26,30)/t19-,21+,23-,24+/m1/s1" ; chebi:inchikey "KOAYSPOFMXWQDS-MHHVOYGZSA-N" ; chebi:mass "541.660" ; chebi:monoisotopicmass "541.24579" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCCCN4CCOCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102360" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_102361 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C27H33N3O4" ; chebi:inchi "InChI=1S/C27H33N3O4/c1-28(2)27(33)24-20(16-31)22-15-30-21(13-12-19(26(30)32)17-8-4-5-9-17)25(24)29(22)14-18-10-6-7-11-23(18)34-3/h6-8,10-13,20,22,24-25,31H,4-5,9,14-16H2,1-3H3/t20-,22-,24+,25+/m1/s1" ; chebi:inchikey "CAYQEZITEZQLOQ-KAKDDGLXSA-N" ; chebi:mass "463.570" ; chebi:monoisotopicmass "463.24711" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@@H]1N2CC5=CC=CC=C5OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102361" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13713" . obo:CHEBI_102362 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H31FN2O6S" ; chebi:inchi "InChI=1S/C26H31FN2O6S/c27-16-6-9-20(10-7-16)36(32,33)29-18-8-11-23-21(12-18)22-13-19(34-24(15-30)26(22)35-23)14-25(31)28-17-4-2-1-3-5-17/h6-12,17,19,22,24,26,29-30H,1-5,13-15H2,(H,28,31)/t19-,22-,24+,26+/m0/s1" ; chebi:inchikey "SGAJFFANPLXWDT-TUTLFNSSSA-N" ; chebi:mass "518.600" ; chebi:monoisotopicmass "518.18869" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102362" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_102363 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C34H36N4O3S" ; chebi:inchi "InChI=1S/C34H36N4O3S/c1-34(2,3)42(41)38-22-28-20-29(33(40)37-17-13-23-7-4-5-8-27(23)21-37)36-32(31(28)30(38)14-18-39)26-10-6-9-25(19-26)24-11-15-35-16-12-24/h4-12,15-16,19-20,30,39H,13-14,17-18,21-22H2,1-3H3/t30-,42-/m1/s1" ; chebi:inchikey "HAAGBLBLWADVDZ-SBEKKQRLSA-N" ; chebi:mass "580.742" ; chebi:monoisotopicmass "580.25081" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102363" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone" . obo:CHEBI_102364 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31F3N4O5S2" ; chebi:inchi "InChI=1S/C23H31F3N4O5S2/c1-15-10-30(12-21-27-7-8-36-21)16(2)13-35-19-6-5-17(28-37(32,33)14-23(24,25)26)9-18(19)22(31)29(3)11-20(15)34-4/h5-9,15-16,20,28H,10-14H2,1-4H3/t15-,16+,20+/m0/s1" ; chebi:inchikey "CQZVRHUHRGDROH-RZQQEMMASA-N" ; chebi:mass "564.644" ; chebi:monoisotopicmass "564.16880" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102364" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102365 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H24N2O6" ; chebi:inchi "InChI=1S/C22H24N2O6/c1-28-20(26)11-15-10-17-16-9-14(24-22(27)23-13-5-3-2-4-6-13)7-8-18(16)30-21(17)19(12-25)29-15/h2-9,15,17,19,21,25H,10-12H2,1H3,(H2,23,24,27)/t15-,17-,19+,21+/m1/s1" ; chebi:inchikey "BVQWYDMOVFWUGX-DOSUHQCWSA-N" ; chebi:mass "412.437" ; chebi:monoisotopicmass "412.16344" ; chebi:smiles "COC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102365" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102366 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H19FN4O2" ; chebi:inchi "InChI=1S/C23H19FN4O2/c24-18-7-9-19(10-8-18)27-23(30)28-20(12-25)22(21(28)14-29)16-5-3-15(4-6-16)17-2-1-11-26-13-17/h1-11,13,20-22,29H,14H2,(H,27,30)/t20-,21+,22+/m0/s1" ; chebi:inchikey "OSGUSCSJMGIYLG-BHDDXSALSA-N" ; chebi:mass "402.422" ; chebi:monoisotopicmass "402.14920" ; chebi:smiles "C1=CC(=CN=C1)C2=CC=C(C=C2)[C@H]3[C@H](N([C@H]3C#N)C(=O)NC4=CC=C(C=C4)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102366" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4S)-2-cyano-N-(4-fluorophenyl)-4-(hydroxymethyl)-3-[4-(3-pyridinyl)phenyl]-1-azetidinecarboxamide" . obo:CHEBI_102367 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_5706 ; owl:deprecated true . obo:CHEBI_102368 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76879 ; obo:IAO_0000115 "An EC 2.6.1.* (transaminase) inhibitor that interferes with the action of (R)-3-amino-2-methylpropionate--pyruvate transaminase (EC 2.6.1.40)." ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102368" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "EC 2.6.1.40 [(R)-3-amino-2-methylpropionate--pyruvate transaminase] inhibitor" . obo:CHEBI_102369 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H31FN2O6S" ; chebi:inchi "InChI=1S/C26H31FN2O6S/c27-16-6-9-20(10-7-16)36(32,33)29-18-8-11-23-21(12-18)22-13-19(34-24(15-30)26(22)35-23)14-25(31)28-17-4-2-1-3-5-17/h6-12,17,19,22,24,26,29-30H,1-5,13-15H2,(H,28,31)/t19-,22+,24+,26-/m1/s1" ; chebi:inchikey "SGAJFFANPLXWDT-WUHHYYHUSA-N" ; chebi:mass "518.600" ; chebi:monoisotopicmass "518.18869" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102369" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_10237 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17785 ; owl:deprecated true . obo:CHEBI_102370 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22723 ; chebi:charge "0" ; chebi:formula "C31H36N2O5" ; chebi:inchi "InChI=1S/C31H36N2O5/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-25(26)20-38-29(21)18-32(3)17-23-9-8-11-24(15-23)31(36)37/h4-15,21-22,29,34H,16-20H2,1-3H3,(H,36,37)/t21-,22+,29+/m1/s1" ; chebi:inchikey "QELHGDMSGADVOM-BXOOBUKZSA-N" ; chebi:mass "516.629" ; chebi:monoisotopicmass "516.26242" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102370" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13721" . obo:CHEBI_102371 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H24N2O7" ; chebi:inchi "InChI=1S/C22H24N2O7/c1-29-14-5-2-12(3-6-14)23-22(28)24-13-4-7-18-16(8-13)17-9-15(10-20(26)27)30-19(11-25)21(17)31-18/h2-8,15,17,19,21,25H,9-11H2,1H3,(H,26,27)(H2,23,24,28)/t15-,17-,19+,21+/m1/s1" ; chebi:inchikey "WGYNXZDTDZWEBG-DOSUHQCWSA-N" ; chebi:mass "428.436" ; chebi:monoisotopicmass "428.15835" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102371" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_102372 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H23ClN2O6" ; chebi:inchi "InChI=1S/C23H23ClN2O6/c1-26-18-8-7-16(11-21(27)28)32-20(18)12-31-19-9-6-15(10-17(19)23(26)30)25-22(29)13-2-4-14(24)5-3-13/h2-6,9-10,16,18,20H,7-8,11-12H2,1H3,(H,25,29)(H,27,28)/t16-,18+,20-/m1/s1" ; chebi:inchikey "SDVZNQMNQVCLRJ-IMFGXOCKSA-N" ; chebi:mass "458.892" ; chebi:monoisotopicmass "458.12446" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102372" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_102373 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H28N2O6" ; chebi:inchi "InChI=1S/C24H28N2O6/c1-26(2)15-4-6-19-17(8-15)18-9-16(31-22(12-27)24(18)32-19)10-23(28)25-11-14-3-5-20-21(7-14)30-13-29-20/h3-8,16,18,22,24,27H,9-13H2,1-2H3,(H,25,28)/t16-,18-,22+,24+/m1/s1" ; chebi:inchikey "XORJDKZTELKQNH-SDZNXMPUSA-N" ; chebi:mass "440.490" ; chebi:monoisotopicmass "440.19474" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102373" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102374 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H33N3O5" ; chebi:inchi "InChI=1S/C24H33N3O5/c1-26-7-9-27(10-8-26)22(29)13-17-12-19-18-11-16(25-24(30)15-3-2-4-15)5-6-20(18)32-23(19)21(14-28)31-17/h5-6,11,15,17,19,21,23,28H,2-4,7-10,12-14H2,1H3,(H,25,30)/t17-,19+,21-,23-/m1/s1" ; chebi:inchikey "SOARVSRWKWCBLL-GUBFDYSESA-N" ; chebi:mass "443.537" ; chebi:monoisotopicmass "443.24202" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102374" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_102375 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H43N3O6" ; chebi:inchi "InChI=1S/C32H43N3O6/c1-21-18-35(31(37)23-10-7-6-8-11-23)22(2)20-41-28-17-25(33-30(36)24-12-9-13-26(16-24)39-4)14-15-27(28)32(38)34(3)19-29(21)40-5/h9,12-17,21-23,29H,6-8,10-11,18-20H2,1-5H3,(H,33,36)/t21-,22-,29-/m1/s1" ; chebi:inchikey "LYKGDNBLKAPSTE-IEOSBIPESA-N" ; chebi:mass "565.702" ; chebi:monoisotopicmass "565.31519" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C)C(=O)C4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102375" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-[cyclohexyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzamide" . obo:CHEBI_102376 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38785 ; chebi:charge "0" ; chebi:formula "C19H31N3O5" ; chebi:inchi "InChI=1S/C19H31N3O5/c23-13-17-16(21-19(25)20-14-4-2-1-3-5-14)7-6-15(27-17)12-18(24)22-8-10-26-11-9-22/h6-7,14-17,23H,1-5,8-13H2,(H2,20,21,25)/t15-,16-,17-/m1/s1" ; chebi:inchikey "RNIDAHWWXILMTD-BRWVUGGUSA-N" ; chebi:mass "381.467" ; chebi:monoisotopicmass "381.22637" ; chebi:smiles "C1CCC(CC1)NC(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)N3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102376" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea" . obo:CHEBI_102377 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C28H33N3O4" ; chebi:inchi "InChI=1S/C28H33N3O4/c1-17(19-9-5-3-6-10-19)29-27(34)25-22(16-32)24-15-30-23(26(25)31(24)18(2)33)14-13-21(28(30)35)20-11-7-4-8-12-20/h3,5-6,9-11,13-14,17,22,24-26,32H,4,7-8,12,15-16H2,1-2H3,(H,29,34)/t17-,22-,24-,25+,26+/m1/s1" ; chebi:inchikey "GHJDVSDORYSUSR-DUVDYXJLSA-N" ; chebi:mass "475.580" ; chebi:monoisotopicmass "475.24711" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CCCCC5)[C@@H]2N3C(=O)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102377" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13728" . obo:CHEBI_102378 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20+,21-,22+/m0/s1" ; chebi:inchikey "XYLRKRISJMFHFX-OAVQTBGQSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102378" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13729" . obo:CHEBI_102379 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H30Cl2FN3O4" ; chebi:inchi "InChI=1S/C24H30Cl2FN3O4/c1-15(12-30(16(2)14-31)24(33)28-21-7-5-20(27)6-8-21)22(34-4)13-29(3)23(32)17-9-18(25)11-19(26)10-17/h5-11,15-16,22,31H,12-14H2,1-4H3,(H,28,33)/t15-,16+,22+/m1/s1" ; chebi:inchikey "IBBRHRMMLVXSHB-VVBPWWLESA-N" ; chebi:mass "514.418" ; chebi:monoisotopicmass "513.15974" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC(=CC(=C2)Cl)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102379" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,5-dichloro-N-[(2R,3R)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_10238 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28348 ; owl:deprecated true . obo:CHEBI_102380 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-35-19-10-5-7-17(13-19)14-28-26(33)24-20(16-31)22-15-29-21(11-6-12-23(29)32)25(24)30(22)27(34)18-8-3-2-4-9-18/h5-7,10-13,18,20,22,24-25,31H,2-4,8-9,14-16H2,1H3,(H,28,33)/t20-,22-,24+,25+/m1/s1" ; chebi:inchikey "PNHDRDYFFADBCF-KAKDDGLXSA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3C(=O)C5CCCCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102380" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13731" . obo:CHEBI_102381 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H23FN4O4" ; chebi:inchi "InChI=1S/C20H23FN4O4/c21-14-3-1-13(2-4-14)20(28)25-17-6-5-16(29-18(17)11-26)9-19(27)23-10-15-7-8-22-12-24-15/h1-4,7-8,12,16-18,26H,5-6,9-11H2,(H,23,27)(H,25,28)/t16-,17+,18-/m0/s1" ; chebi:inchikey "KXCVLZMSFBFHGZ-KSZLIROESA-N" ; chebi:mass "402.420" ; chebi:monoisotopicmass "402.17033" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102381" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide" . obo:CHEBI_102382 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C14H21N3O4S" ; chebi:inchi "InChI=1S/C14H21N3O4S/c18-9-6-16-11-2-1-10(21-12(11)8-20-7-9)5-13(19)17-14-15-3-4-22-14/h3-4,9-12,16,18H,1-2,5-8H2,(H,15,17,19)/t9-,10-,11+,12-/m1/s1" ; chebi:inchikey "LPUMVFGYOYFXDR-WISYIIOYSA-N" ; chebi:mass "327.401" ; chebi:monoisotopicmass "327.12528" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2)O)O[C@H]1CC(=O)NC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102382" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide" . obo:CHEBI_102383 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34N2O7S" ; chebi:inchi "InChI=1S/C27H34N2O7S/c1-34-19-8-5-9-21(13-19)37(32,33)29-18-10-11-24-22(12-18)23-14-20(35-25(16-30)27(23)36-24)15-26(31)28-17-6-3-2-4-7-17/h5,8-13,17,20,23,25,27,29-30H,2-4,6-7,14-16H2,1H3,(H,28,31)/t20-,23+,25-,27-/m1/s1" ; chebi:inchikey "MPXYHEQTTLDTMZ-MBHFTIIHSA-N" ; chebi:mass "530.635" ; chebi:monoisotopicmass "530.20867" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102383" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_102384 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O5S" ; chebi:inchi "InChI=1S/C25H36N4O5S/c1-6-35(31,32)27-20-10-11-23-22(13-20)25(30)28(4)16-24(33-5)18(2)14-29(19(3)17-34-23)15-21-9-7-8-12-26-21/h7-13,18-19,24,27H,6,14-17H2,1-5H3/t18-,19+,24-/m0/s1" ; chebi:inchikey "NFKQXDUJHPCZLU-GLDPYIMESA-N" ; chebi:mass "504.644" ; chebi:monoisotopicmass "504.24064" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102384" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102385 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H30FN5O3" ; chebi:inchi "InChI=1S/C26H30FN5O3/c1-3-31-23-20(21(14-33)24(31)25(34)28-11-10-18-12-30(2)15-29-18)13-32-22(23)9-8-19(26(32)35)16-4-6-17(27)7-5-16/h4-9,12,15,20-21,23-24,33H,3,10-11,13-14H2,1-2H3,(H,28,34)/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "QCFMKJOQGAVCFD-ZQRMPTRQSA-N" ; chebi:mass "479.547" ; chebi:monoisotopicmass "479.23327" ; chebi:smiles "CCN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]([C@H]1C(=O)NCCC5=CN(C=N5)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102385" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-ethyl-7-(4-fluorophenyl)-3-(hydroxymethyl)-N-[2-(1-methyl-4-imidazolyl)ethyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102386 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O5" ; chebi:inchi "InChI=1S/C22H29Cl2N3O5/c23-17-6-4-14(8-18(17)24)26-22(30)27-10-15(28)11-31-12-20-19(27)7-5-16(32-20)9-21(29)25-13-2-1-3-13/h4,6,8,13,15-16,19-20,28H,1-3,5,7,9-12H2,(H,25,29)(H,26,30)/t15-,16-,19+,20-/m1/s1" ; chebi:inchikey "KPSAIAGNOOFEEI-YAJHFMINSA-N" ; chebi:mass "486.389" ; chebi:monoisotopicmass "485.14843" ; chebi:smiles "C1CC(C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC(=C(C=C4)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102386" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102387 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H23FN2O6S" ; chebi:inchi "InChI=1S/C25H23FN2O6S/c1-14-3-2-4-17(11-14)35(33,34)28-21-12-27-20(23(28)22(25(31)32)19(21)13-29)10-9-18(24(27)30)15-5-7-16(26)8-6-15/h2-11,19,21-23,29H,12-13H2,1H3,(H,31,32)/t19-,21-,22+,23+/m1/s1" ; chebi:inchikey "MTJUDQAFHZBLAH-LGKPFJOYSA-N" ; chebi:mass "498.525" ; chebi:monoisotopicmass "498.12609" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N2[C@@H]3CN4C(=CC=C(C4=O)C5=CC=C(C=C5)F)[C@H]2[C@H]([C@@H]3CO)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102387" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13738" . obo:CHEBI_102388 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H42N4O6" ; chebi:inchi "InChI=1S/C27H42N4O6/c1-6-11-28-27(34)29-21-7-8-22-23(14-21)37-17-19(3)31(25(32)20-9-12-36-13-10-20)15-18(2)24(35-5)16-30(4)26(22)33/h7-8,14,18-20,24H,6,9-13,15-17H2,1-5H3,(H2,28,29,34)/t18-,19+,24+/m1/s1" ; chebi:inchikey "NYJPVGKIWASVOA-IMWIBFENSA-N" ; chebi:mass "518.647" ; chebi:monoisotopicmass "518.31044" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)C(=O)C3CCOCC3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102388" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_102389 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H33N3O7S" ; chebi:inchi "InChI=1S/C21H33N3O7S/c1-14-10-24(20(25)13-29-4)15(2)12-31-18-9-16(22-32(6,27)28)7-8-17(18)21(26)23(3)11-19(14)30-5/h7-9,14-15,19,22H,10-13H2,1-6H3/t14-,15+,19+/m0/s1" ; chebi:inchikey "ALCDIEWMKTXBKO-QMTMVMCOSA-N" ; chebi:mass "471.570" ; chebi:monoisotopicmass "471.20392" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102389" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_102390 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H31N3O7S" ; chebi:inchi "InChI=1S/C21H31N3O7S/c1-4-32(27,28)23-14-5-8-18-16(11-14)21(26)24(2)17-7-6-15(31-19(17)13-30-18)12-20(25)22-9-10-29-3/h5,8,11,15,17,19,23H,4,6-7,9-10,12-13H2,1-3H3,(H,22,25)/t15-,17+,19+/m1/s1" ; chebi:inchikey "RVSYYJUWHXUHRD-AYBZRNKSSA-N" ; chebi:mass "469.554" ; chebi:monoisotopicmass "469.18827" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)NCCOC)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102390" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102391 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H40N4O5" ; chebi:inchi "InChI=1S/C25H40N4O5/c1-8-9-23(30)26-19-10-11-20-21(12-19)34-16-18(3)29(24(31)15-27(4)5)13-17(2)22(33-7)14-28(6)25(20)32/h10-12,17-18,22H,8-9,13-16H2,1-7H3,(H,26,30)/t17-,18+,22+/m1/s1" ; chebi:inchikey "REUNTGUOEHKOBZ-FGSXEWAUSA-N" ; chebi:mass "476.610" ; chebi:monoisotopicmass "476.29987" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)C(=O)CN(C)C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102391" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_102392 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H28F2N2O5" ; chebi:inchi "InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17+,18+,19-/m1/s1" ; chebi:inchikey "LJZGTTWSAOWWCB-YDZRNGNQSA-N" ; chebi:mass "426.455" ; chebi:monoisotopicmass "426.19663" ; chebi:smiles "CCC(=O)N1C[C@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102392" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_102393 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29FN4O5S" ; chebi:inchi "InChI=1S/C21H29FN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16+,20+/m0/s1" ; chebi:inchikey "DJBLUNZOFTWTAE-RZQQEMMASA-N" ; chebi:mass "468.544" ; chebi:monoisotopicmass "468.18427" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102393" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_102394 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C19H19FN2O4" ; chebi:inchi "InChI=1S/C19H19FN2O4/c1-26-19(25)16-12(9-23)14-8-22-15(17(16)21-14)7-6-11(18(22)24)10-4-2-3-5-13(10)20/h2-7,12,14,16-17,21,23H,8-9H2,1H3/t12-,14-,16+,17+/m0/s1" ; chebi:inchikey "NXPHSKBMFHKARG-GUDXXQAFSA-N" ; chebi:mass "358.364" ; chebi:monoisotopicmass "358.13289" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@H]1N2)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102394" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13745" . obo:CHEBI_102395 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O5" ; chebi:inchi "InChI=1S/C26H31N3O5/c30-15-23-25-21(12-19(33-23)13-24(31)28-17-6-2-1-3-7-17)20-11-18(8-9-22(20)34-25)29-26(32)16-5-4-10-27-14-16/h4-5,8-11,14,17,19,21,23,25,30H,1-3,6-7,12-13,15H2,(H,28,31)(H,29,32)/t19-,21+,23-,25-/m1/s1" ; chebi:inchikey "CCIDSNZUNACLPU-RIPRBREISA-N" ; chebi:mass "465.542" ; chebi:monoisotopicmass "465.22637" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102395" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_102396 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)13-25-12-16)9-20(24)22-8-7-14-3-1-2-4-15(14)11-22/h1-4,16-19,21,23H,5-13H2/t16-,17+,18+,19-/m1/s1" ; chebi:inchikey "MNYFKSZVIZZWBR-YDZRNGNQSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102396" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_102397 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23+,25+,26+/m0/s1" ; chebi:inchikey "DIIJYNJFSHJSFY-BKJQLSFMSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "CN1C[C@@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102397" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13748" . obo:CHEBI_102398 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28FN3O6" ; chebi:inchi "InChI=1S/C25H28FN3O6/c26-19-3-1-2-4-20(19)28-25(32)27-15-5-6-21-17(11-15)18-12-16(34-22(14-30)24(18)35-21)13-23(31)29-7-9-33-10-8-29/h1-6,11,16,18,22,24,30H,7-10,12-14H2,(H2,27,28,32)/t16-,18+,22-,24-/m1/s1" ; chebi:inchikey "RREKHFLFIWGNNG-KLYAEHFASA-N" ; chebi:mass "485.506" ; chebi:monoisotopicmass "485.19621" ; chebi:smiles "C1COCCN1C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102398" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(2-fluorophenyl)urea" . obo:CHEBI_102399 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-25(2)15-3-4-19-17(9-15)18-10-16(28-20(13-26)22(18)29-19)11-21(27)24-12-14-5-7-23-8-6-14/h3-9,16,18,20,22,26H,10-13H2,1-2H3,(H,24,27)/t16-,18-,20-,22+/m1/s1" ; chebi:inchikey "ISIKKEOWKJPDMG-ZLLBNUPZSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102399" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide" . obo:CHEBI_1024 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15849 ; owl:deprecated true . obo:CHEBI_10240 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16046 ; owl:deprecated true . obo:CHEBI_102400 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H20N2O" ; chebi:inchi "InChI=1S/C17H20N2O/c18-10-15-17(16(11-20)19-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h4,6-9,15-17,19-20H,1-3,5,11H2/t15-,16-,17-/m1/s1" ; chebi:inchikey "SIGXZWYEWAPHMA-BRWVUGGUSA-N" ; chebi:mass "268.354" ; chebi:monoisotopicmass "268.15756" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H](N[C@@H]3C#N)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102400" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102401 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H25FN2O7S" ; chebi:inchi "InChI=1S/C23H25FN2O7S/c1-26-19-9-6-16(12-22(27)31-2)33-21(19)13-32-20-10-5-15(11-18(20)23(26)28)25-34(29,30)17-7-3-14(24)4-8-17/h3-5,7-8,10-11,16,19,21,25H,6,9,12-13H2,1-2H3/t16-,19-,21-/m0/s1" ; chebi:inchikey "QOIMCQVGUSYUFV-LRQRDZAKSA-N" ; chebi:mass "492.519" ; chebi:monoisotopicmass "492.13665" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102401" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_102402 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H34F3N3O6S" ; chebi:inchi "InChI=1S/C25H34F3N3O6S/c1-31-20-9-8-18(12-23(32)29-13-16-5-3-2-4-6-16)37-22(20)14-36-21-10-7-17(11-19(21)24(31)33)30-38(34,35)15-25(26,27)28/h7,10-11,16,18,20,22,30H,2-6,8-9,12-15H2,1H3,(H,29,32)/t18-,20+,22-/m1/s1" ; chebi:inchikey "POTYIVUJTYUDPC-KAGYGMCKSA-N" ; chebi:mass "561.616" ; chebi:monoisotopicmass "561.21204" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)CC(F)(F)F)CC(=O)NCC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102402" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(2,2,2-trifluoroethylsulfonylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_102403 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21+,24-,26-,28+/m0/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-MNMPLEIHSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102403" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102404 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H23F2N3O6" ; chebi:inchi "InChI=1S/C23H23F2N3O6/c24-14-2-4-16(25)18(8-14)28-23(31)27-17-5-3-15(34-21(17)11-29)9-22(30)26-10-13-1-6-19-20(7-13)33-12-32-19/h1-8,15,17,21,29H,9-12H2,(H,26,30)(H2,27,28,31)/t15-,17+,21-/m0/s1" ; chebi:inchikey "VZUMNNKKGVSTKF-XPIZARPCSA-N" ; chebi:mass "475.443" ; chebi:monoisotopicmass "475.15549" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)CNC(=O)C[C@@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102404" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,3R,6R)-3-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102405 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H28N2O6S" ; chebi:inchi "InChI=1S/C20H28N2O6S/c1-27-17-7-3-4-8-19(17)29(25,26)21-16-10-9-15(28-18(16)14-23)13-20(24)22-11-5-2-6-12-22/h3-4,7-10,15-16,18,21,23H,2,5-6,11-14H2,1H3/t15-,16-,18-/m0/s1" ; chebi:inchikey "LFPPDYCBOCBVHR-BQFCYCMXSA-N" ; chebi:mass "424.513" ; chebi:monoisotopicmass "424.16681" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)N3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102405" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxybenzenesulfonamide" . obo:CHEBI_102406 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35ClN2O4S" ; chebi:inchi "InChI=1S/C24H35ClN2O4S/c1-18-10-12-22(13-11-18)32(29,30)26(4)16-24(31-5)19(2)14-27(20(3)17-28)15-21-8-6-7-9-23(21)25/h6-13,19-20,24,28H,14-17H2,1-5H3/t19-,20+,24-/m0/s1" ; chebi:inchikey "OWPXWWCVMFAFIQ-ROKPMTFOSA-N" ; chebi:mass "483.066" ; chebi:monoisotopicmass "482.20061" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@@H](C)CN(CC2=CC=CC=C2Cl)[C@H](C)CO)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102406" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_102407 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-16-12-30(13-19-6-7-19)17(2)15-34-23-9-8-20(27-25(31)22-10-18(3)35-28-22)11-21(23)26(32)29(4)14-24(16)33-5/h8-11,16-17,19,24H,6-7,12-15H2,1-5H3,(H,27,31)/t16-,17+,24-/m1/s1" ; chebi:inchikey "VFFXTZRIOLHXNX-XVTZWQNCSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102407" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_102408 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C30H31N3O5" ; chebi:inchi "InChI=1S/C30H31N3O5/c34-18-27-30-25(15-23(37-27)16-29(36)33-12-9-20-3-1-2-4-21(20)17-33)24-14-22(5-6-26(24)38-30)32-28(35)13-19-7-10-31-11-8-19/h1-8,10-11,14,23,25,27,30,34H,9,12-13,15-18H2,(H,32,35)/t23-,25+,27-,30-/m1/s1" ; chebi:inchikey "ZUSAVEKAEPAMKG-LIOQXTORSA-N" ; chebi:mass "513.585" ; chebi:monoisotopicmass "513.22637" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@@H]4[C@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)CC6=CC=NC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102408" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide" . obo:CHEBI_102409 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C21H26N2O4" ; chebi:inchi "InChI=1S/C21H26N2O4/c24-13-19-18(22-21(26)15-5-6-15)8-7-17(27-19)11-20(25)23-10-9-14-3-1-2-4-16(14)12-23/h1-4,7-8,15,17-19,24H,5-6,9-13H2,(H,22,26)/t17-,18+,19-/m1/s1" ; chebi:inchikey "QCIRQJIZWMFOON-CEXWTWQISA-N" ; chebi:mass "370.443" ; chebi:monoisotopicmass "370.18926" ; chebi:smiles "C1CC1C(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102409" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide" . obo:CHEBI_10241 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_22385 ; owl:deprecated true . obo:CHEBI_102410 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H22N2O" ; chebi:inchi "InChI=1S/C19H22N2O/c20-12-17-19(18(13-22)21-17)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14,17-19,21-22H,1-5,13H2/t17-,18+,19-/m1/s1" ; chebi:inchikey "ANDSQWRABKLSGR-CEXWTWQISA-N" ; chebi:mass "294.391" ; chebi:monoisotopicmass "294.17321" ; chebi:smiles "C1CCC(CC1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N[C@@H]3C#N)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102410" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102411 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H35N3O5" ; chebi:inchi "InChI=1S/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20-,22-,24+/m1/s1" ; chebi:inchikey "GFIPGJIGSRXJBU-YWWGLXIYSA-N" ; chebi:mass "457.563" ; chebi:monoisotopicmass "457.25767" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102411" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea" . obo:CHEBI_102412 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H32FN5O5" ; chebi:inchi "InChI=1S/C30H32FN5O5/c1-36-25-8-7-21(17-28(37)33-15-12-19-10-13-32-14-11-19)41-27(25)18-40-26-9-6-20(16-22(26)29(36)38)34-30(39)35-24-5-3-2-4-23(24)31/h2-6,9-11,13-14,16,21,25,27H,7-8,12,15,17-18H2,1H3,(H,33,37)(H2,34,35,39)/t21-,25+,27-/m0/s1" ; chebi:inchikey "KLEFMXRWIUTPPC-BBVXACFBSA-N" ; chebi:mass "561.605" ; chebi:monoisotopicmass "561.23875" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4F)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102412" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102413 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32Cl2N2O4S" ; chebi:inchi "InChI=1S/C23H32Cl2N2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)25)23(31-4)15-26(3)32(29,30)21-11-9-20(24)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18+,23-/m0/s1" ; chebi:inchikey "JYNGQINEBKOLSY-IXFSTUDKSA-N" ; chebi:mass "503.484" ; chebi:monoisotopicmass "502.14598" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102413" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_102414 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N5O5S" ; chebi:inchi "InChI=1S/C22H32F3N5O5S/c1-15(19(35-5)11-29(4)36(33,34)20-12-28(3)14-26-20)10-30(16(2)13-31)21(32)27-18-8-6-17(7-9-18)22(23,24)25/h6-9,12,14-16,19,31H,10-11,13H2,1-5H3,(H,27,32)/t15-,16+,19+/m1/s1" ; chebi:inchikey "DUWNSMSZAPHBFZ-GJYPPUQNSA-N" ; chebi:mass "535.582" ; chebi:monoisotopicmass "535.20762" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102414" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_102415 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O8" ; chebi:inchi "InChI=1S/C30H30N2O8/c1-36-23-5-3-2-4-18(23)14-31-28(34)13-20-12-22-21-11-19(7-9-24(21)40-29(22)27(15-33)39-20)32-30(35)17-6-8-25-26(10-17)38-16-37-25/h2-11,20,22,27,29,33H,12-16H2,1H3,(H,31,34)(H,32,35)/t20-,22+,27-,29-/m1/s1" ; chebi:inchikey "IQCMSFSSZNINGU-ZNGJXQNXSA-N" ; chebi:mass "546.569" ; chebi:monoisotopicmass "546.20022" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102415" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102416 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H27N5O5" ; chebi:inchi "InChI=1S/C25H27N5O5/c1-27-23(31)12-18-8-9-20-22(35-18)14-34-21-10-7-17(11-19(21)24(32)30(20)2)29-25(33)28-16-5-3-15(13-26)4-6-16/h3-7,10-11,18,20,22H,8-9,12,14H2,1-2H3,(H,27,31)(H2,28,29,33)/t18-,20+,22-/m1/s1" ; chebi:inchikey "WEQMSGPPXPWAGN-KAGYGMCKSA-N" ; chebi:mass "477.513" ; chebi:monoisotopicmass "477.20122" ; chebi:smiles "CNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C#N)C(=O)N2C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102416" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(4-cyanoanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-methylacetamide" . obo:CHEBI_102417 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O5S" ; chebi:inchi "InChI=1S/C28H34F3N3O5S/c1-18-13-34(19(2)15-35)27(36)26-25(22-11-7-8-12-23(22)33(26)4)21-10-6-5-9-20(21)16-39-24(18)14-32(3)40(37,38)17-28(29,30)31/h5-12,18-19,24,35H,13-17H2,1-4H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "BZAPUCLBFKATKI-XLNZFTOWSA-N" ; chebi:mass "581.649" ; chebi:monoisotopicmass "581.21713" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102417" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13768" . obo:CHEBI_102418 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-30-10-9-24-22(27)13-16-12-19-18-11-15(25-33(28,29)17-5-3-2-4-6-17)7-8-20(18)32-23(19)21(14-26)31-16/h2-8,11,16,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t16-,19+,21+,23-/m1/s1" ; chebi:inchikey "GQLDDSCVBIFPRR-CTZMOBNVSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "COCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102418" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102419 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O5" ; chebi:inchi "InChI=1S/C23H35N3O5/c1-7-21(27)24-17-9-10-19-18(11-17)23(29)25(5)13-20(30-6)15(3)12-26(22(28)8-2)16(4)14-31-19/h9-11,15-16,20H,7-8,12-14H2,1-6H3,(H,24,27)/t15-,16-,20-/m0/s1" ; chebi:inchikey "ILJGMXMVVDGLNM-FTRWYGJKSA-N" ; chebi:mass "433.542" ; chebi:monoisotopicmass "433.25767" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102419" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_10242 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17925 ; owl:deprecated true . obo:CHEBI_102420 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30ClFN2O5S" ; chebi:inchi "InChI=1S/C23H30ClFN2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17-,22+/m0/s1" ; chebi:inchikey "FWFBMTYWKZBKQZ-PNLZDCPESA-N" ; chebi:mass "501.013" ; chebi:monoisotopicmass "500.15480" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102420" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_102421 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H34FN3O4" ; chebi:inchi "InChI=1S/C30H34FN3O4/c1-20-16-34(21(2)18-35)29(36)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-38-28(20)17-33(3)30(37)32-24-14-12-23(31)13-15-24/h4-15,20-21,28,35H,16-19H2,1-3H3,(H,32,37)/t20-,21+,28+/m1/s1" ; chebi:inchikey "CYZHERASHFZITE-GGJMMHKRSA-N" ; chebi:mass "519.608" ; chebi:monoisotopicmass "519.25333" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102421" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13772" . obo:CHEBI_102422 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C31H34N4O6" ; chebi:inchi "InChI=1S/C31H34N4O6/c1-35-25-9-8-22(18-29(36)33-16-13-20-11-14-32-15-12-20)41-28(25)19-40-27-10-7-21(17-24(27)31(35)38)34-30(37)23-5-3-4-6-26(23)39-2/h3-7,10-12,14-15,17,22,25,28H,8-9,13,16,18-19H2,1-2H3,(H,33,36)(H,34,37)/t22-,25-,28+/m0/s1" ; chebi:inchikey "PQVOHAVDCPBJEV-NAYZPBBASA-N" ; chebi:mass "558.626" ; chebi:monoisotopicmass "558.24783" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4OC)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102422" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide" . obo:CHEBI_102423 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21-,22-,23+/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-BCLDRZJSSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102423" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13774" . obo:CHEBI_102424 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-16(2)27-26(33)28-20-10-11-22-21(12-20)25(32)29(5)14-23(34-6)17(3)13-30(18(4)15-35-22)24(31)19-8-7-9-19/h10-12,16-19,23H,7-9,13-15H2,1-6H3,(H2,27,28,33)/t17-,18+,23-/m0/s1" ; chebi:inchikey "FNBLPFIHIJQMKK-IXFSTUDKSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102424" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_102425 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H37FN4O3S" ; chebi:inchi "InChI=1S/C31H37FN4O3S/c1-31(2,3)40(39)36-20-23-19-26(30(38)35-15-13-34(4)14-16-35)33-29(28(23)27(36)12-17-37)22-9-7-8-21(18-22)24-10-5-6-11-25(24)32/h5-11,18-19,27,37H,12-17,20H2,1-4H3/t27-,40-/m1/s1" ; chebi:inchikey "SXBHHBYKOFATQA-KSTXALNGSA-N" ; chebi:mass "564.716" ; chebi:monoisotopicmass "564.25704" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4F)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102425" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_102426 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H34N4O6S" ; chebi:inchi "InChI=1S/C30H34N4O6S/c1-20-3-7-24(8-4-20)41(37,38)33-22-5-10-27-25(17-22)30(36)34(2)26-9-6-23(40-28(26)19-39-27)18-29(35)32-16-13-21-11-14-31-15-12-21/h3-5,7-8,10-12,14-15,17,23,26,28,33H,6,9,13,16,18-19H2,1-2H3,(H,32,35)/t23-,26-,28-/m0/s1" ; chebi:inchikey "KPGMTKVYFCJESC-WSHBGFIESA-N" ; chebi:mass "578.681" ; chebi:monoisotopicmass "578.21991" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@H](O4)CC(=O)NCCC5=CC=NC=C5)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102426" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102427 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36F3N5O5" ; chebi:inchi "InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16+,22-/m1/s1" ; chebi:inchikey "PCJFVZCPKBPEAR-ZMPRRUGASA-N" ; chebi:mass "555.591" ; chebi:monoisotopicmass "555.26685" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102427" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102428 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H33N5O5S" ; chebi:inchi "InChI=1S/C23H33N5O5S/c1-16-11-28(12-18-9-24-15-25-10-18)17(2)14-33-21-7-6-19(26-34(5,30)31)8-20(21)23(29)27(3)13-22(16)32-4/h6-10,15-17,22,26H,11-14H2,1-5H3/t16-,17+,22+/m1/s1" ; chebi:inchikey "VPVAZUBGKWFEKV-JLHGSKIFSA-N" ; chebi:mass "491.606" ; chebi:monoisotopicmass "491.22024" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CN=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102428" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_102429 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-17-14-26-18(2)16-32-22-11-10-20(27-24(29)12-19-8-6-5-7-9-19)13-21(22)25(30)28(3)15-23(17)31-4/h5-11,13,17-18,23,26H,12,14-16H2,1-4H3,(H,27,29)/t17-,18+,23+/m1/s1" ; chebi:inchikey "RIFMDYVXBSMSIP-STSQHVNTSA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102429" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_10243 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18148 ; owl:deprecated true . obo:CHEBI_102430 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18+,20+,22+,25-/m1/s1" ; chebi:inchikey "ALLGXHRZPBERLG-SQQWRJQYSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102430" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102431 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C17H15FN2O" ; chebi:inchi "InChI=1S/C17H15FN2O/c18-14-3-1-2-13(8-14)11-4-6-12(7-5-11)17-15(9-19)20-16(17)10-21/h1-8,15-17,20-21H,10H2/t15-,16-,17+/m0/s1" ; chebi:inchikey "WYIJFLWERXFFKQ-YESZJQIVSA-N" ; chebi:mass "282.313" ; chebi:monoisotopicmass "282.11684" ; chebi:smiles "C1=CC(=CC(=C1)F)C2=CC=C(C=C2)[C@H]3[C@@H](N[C@H]3C#N)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102431" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102432 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H35N3O5S2" ; chebi:inchi "InChI=1S/C30H35N3O5S2/c1-20-16-33(21(2)18-34)30(35)29-28(24-12-7-8-13-25(24)32(29)4)23-11-6-5-10-22(23)19-38-26(20)17-31(3)40(36,37)27-14-9-15-39-27/h5-15,20-21,26,34H,16-19H2,1-4H3/t20-,21-,26+/m1/s1" ; chebi:inchikey "OMNPDJXLWRDGEE-YPCDYVTLSA-N" ; chebi:mass "581.749" ; chebi:monoisotopicmass "581.20181" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102432" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13783" . obo:CHEBI_102433 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-29-6-8-30(9-7-29)25(32)13-18-12-20-19-11-17(3-5-21(19)37-26(20)24(14-31)36-18)28-27(33)16-2-4-22-23(10-16)35-15-34-22/h2-5,10-11,18,20,24,26,31H,6-9,12-15H2,1H3,(H,28,33)/t18-,20+,24+,26-/m0/s1" ; chebi:inchikey "WXTNJIBEBHTDAA-BFAWKISMSA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102433" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102434 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C30H31N3O5" ; chebi:inchi "InChI=1S/C30H31N3O5/c34-18-27-30-25(15-23(37-27)16-29(36)33-12-9-20-3-1-2-4-21(20)17-33)24-14-22(5-6-26(24)38-30)32-28(35)13-19-7-10-31-11-8-19/h1-8,10-11,14,23,25,27,30,34H,9,12-13,15-18H2,(H,32,35)/t23-,25+,27+,30-/m0/s1" ; chebi:inchikey "ZUSAVEKAEPAMKG-MFYQUPDPSA-N" ; chebi:mass "513.585" ; chebi:monoisotopicmass "513.22637" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)CC6=CC=NC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102434" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide" . obo:CHEBI_102435 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H35N3O5S2" ; chebi:inchi "InChI=1S/C30H35N3O5S2/c1-20-15-33(21(2)17-34)30(35)29-28(25-11-7-8-12-26(25)32(29)4)24-10-6-5-9-22(24)18-38-27(20)16-31(3)40(36,37)23-13-14-39-19-23/h5-14,19-21,27,34H,15-18H2,1-4H3/t20-,21-,27+/m0/s1" ; chebi:inchikey "XFTZCOPLMXQWPM-NOMHHCBYSA-N" ; chebi:mass "581.749" ; chebi:monoisotopicmass "581.20181" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CSC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102435" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13786" . obo:CHEBI_102436 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H27ClN2O4" ; chebi:inchi "InChI=1S/C20H27ClN2O4/c21-15-5-3-14(4-6-15)11-22-19(25)10-16-7-8-17(18(12-24)27-16)23-20(26)9-13-1-2-13/h3-6,13,16-18,24H,1-2,7-12H2,(H,22,25)(H,23,26)/t16-,17-,18-/m0/s1" ; chebi:inchikey "QFAVGRCFIOJHOR-BZSNNMDCSA-N" ; chebi:mass "394.893" ; chebi:monoisotopicmass "394.16594" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NCC2=CC=C(C=C2)Cl)CO)NC(=O)CC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102436" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-cyclopropylacetamide" . obo:CHEBI_102437 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31FN2O5S" ; chebi:inchi "InChI=1S/C23H31FN2O5S/c1-17(14-26(18(2)16-27)32(29,30)19-10-6-5-7-11-19)22(31-4)15-25(3)23(28)20-12-8-9-13-21(20)24/h5-13,17-18,22,27H,14-16H2,1-4H3/t17-,18-,22-/m0/s1" ; chebi:inchikey "CZAUCXDPQANXEN-SPEDKVCISA-N" ; chebi:mass "466.568" ; chebi:monoisotopicmass "466.19377" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102437" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_102438 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29(2)24(31)14-19-10-11-21-23(35-19)16-34-22-12-9-18(13-20(22)25(32)30(21)3)28-26(33)27-15-17-7-5-4-6-8-17/h4-9,12-13,19,21,23H,10-11,14-16H2,1-3H3,(H2,27,28,33)/t19-,21-,23-/m1/s1" ; chebi:inchikey "IOGMTQBPALZMTJ-KJXAQDMKSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NCC4=CC=CC=C4)CC(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102438" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide" . obo:CHEBI_102439 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H37N3O6" ; chebi:inchi "InChI=1S/C29H37N3O6/c1-18-13-32(14-20-5-6-20)19(2)16-36-24-10-8-22(12-23(24)29(34)31(3)15-27(18)35-4)30-28(33)21-7-9-25-26(11-21)38-17-37-25/h7-12,18-20,27H,5-6,13-17H2,1-4H3,(H,30,33)/t18-,19+,27+/m0/s1" ; chebi:inchikey "KBKSWHGSXCIXAL-DSNGTPCMSA-N" ; chebi:mass "523.622" ; chebi:monoisotopicmass "523.26824" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C)CC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102439" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_10244 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27818 ; owl:deprecated true . obo:CHEBI_102440 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H31F3N4O4" ; chebi:inchi "InChI=1S/C25H31F3N4O4/c1-15-12-29-16(2)14-36-21-10-9-19(11-20(21)23(33)32(3)13-22(15)35-4)31-24(34)30-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,29H,12-14H2,1-4H3,(H2,30,31,34)/t15-,16-,22+/m0/s1" ; chebi:inchikey "GXRZKRPKTHFHBM-PONJGIIJSA-N" ; chebi:mass "508.534" ; chebi:monoisotopicmass "508.22974" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102440" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_102441 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H41N3O5" ; chebi:inchi "InChI=1S/C33H41N3O5/c1-23-20-36(17-16-25-10-7-6-8-11-25)24(2)22-41-30-15-14-27(19-29(30)33(38)35(3)21-31(23)40-5)34-32(37)26-12-9-13-28(18-26)39-4/h6-15,18-19,23-24,31H,16-17,20-22H2,1-5H3,(H,34,37)/t23-,24+,31-/m0/s1" ; chebi:inchikey "OXAYHDRNXZXDOZ-JLELKNTQSA-N" ; chebi:mass "559.697" ; chebi:monoisotopicmass "559.30462" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102441" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102442 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H38N4O6" ; chebi:inchi "InChI=1S/C27H38N4O6/c1-29-9-11-31(12-10-29)25(32)16-20-4-5-22-24(37-20)17-36-23-6-3-19(15-21(23)27(34)30(22)2)28-26(33)18-7-13-35-14-8-18/h3,6,15,18,20,22,24H,4-5,7-14,16-17H2,1-2H3,(H,28,33)/t20-,22-,24+/m0/s1" ; chebi:inchikey "HKYXYLDUIXPRSO-ODGPQVTHSA-N" ; chebi:mass "514.615" ; chebi:monoisotopicmass "514.27913" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102442" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102443 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H34N4O6S" ; chebi:inchi "InChI=1S/C30H34N4O6S/c1-20-3-7-24(8-4-20)41(37,38)33-22-5-10-27-25(17-22)30(36)34(2)26-9-6-23(40-28(26)19-39-27)18-29(35)32-16-13-21-11-14-31-15-12-21/h3-5,7-8,10-12,14-15,17,23,26,28,33H,6,9,13,16,18-19H2,1-2H3,(H,32,35)/t23-,26+,28+/m0/s1" ; chebi:inchikey "KPGMTKVYFCJESC-DANFDKMISA-N" ; chebi:mass "578.681" ; chebi:monoisotopicmass "578.21991" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@H](O4)CC(=O)NCCC5=CC=NC=C5)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102443" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102444 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C28H33N3O6" ; chebi:inchi "InChI=1S/C28H33N3O6/c1-30-23-9-8-21(14-27(33)31-12-11-18-5-3-4-6-19(18)15-31)37-25(23)16-36-24-10-7-20(13-22(24)28(30)34)29-26(32)17-35-2/h3-7,10,13,21,23,25H,8-9,11-12,14-17H2,1-2H3,(H,29,32)/t21-,23+,25-/m0/s1" ; chebi:inchikey "HUCZTLCWVGQLCW-PWWKTKHKSA-N" ; chebi:mass "507.579" ; chebi:monoisotopicmass "507.23694" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)COC)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102444" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxyacetamide" . obo:CHEBI_102445 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H32FN3O4" ; chebi:inchi "InChI=1S/C22H32FN3O4/c23-17-8-4-5-9-18(17)25-22(29)26-19-11-10-16(30-20(19)14-27)12-13-24-21(28)15-6-2-1-3-7-15/h4-5,8-9,15-16,19-20,27H,1-3,6-7,10-14H2,(H,24,28)(H2,25,26,29)/t16-,19+,20-/m1/s1" ; chebi:inchikey "ABKGFAHRWOKBSI-LSTHTHJFSA-N" ; chebi:mass "421.506" ; chebi:monoisotopicmass "421.23768" ; chebi:smiles "C1CCC(CC1)C(=O)NCC[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102445" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6S)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide" . obo:CHEBI_102446 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N5O4" ; chebi:inchi "InChI=1S/C22H29N5O4/c1-14-10-25-15(2)13-31-19-9-16(26-21(28)18-11-23-7-8-24-18)5-6-17(19)22(29)27(3)12-20(14)30-4/h5-9,11,14-15,20,25H,10,12-13H2,1-4H3,(H,26,28)/t14-,15-,20+/m0/s1" ; chebi:inchikey "ORFROPTWDCALKP-AUSJPIAWSA-N" ; chebi:mass "427.498" ; chebi:monoisotopicmass "427.22195" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102446" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102447 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21-,22-,23+/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-RUSSTMTCSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102447" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13798" . obo:CHEBI_102448 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H25FN4O3" ; chebi:inchi "InChI=1S/C25H25FN4O3/c1-29-22-19(20(14-31)23(29)24(32)28-12-17-7-2-3-10-27-17)13-30-21(22)9-8-18(25(30)33)15-5-4-6-16(26)11-15/h2-11,19-20,22-23,31H,12-14H2,1H3,(H,28,32)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "QUSVXALKSRSRLD-YXPKMTABSA-N" ; chebi:mass "448.490" ; chebi:monoisotopicmass "448.19107" ; chebi:smiles "CN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC(=CC=C4)F)[C@H]([C@@H]1C(=O)NCC5=CC=CC=N5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102448" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102449 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29-8-10-30(11-9-29)25(33)15-19-14-21-20-13-18(28-24(32)12-17-4-6-27-7-5-17)2-3-22(20)35-26(21)23(16-31)34-19/h2-7,13,19,21,23,26,31H,8-12,14-16H2,1H3,(H,28,32)/t19-,21-,23+,26+/m0/s1" ; chebi:inchikey "LVKYMQHIUYSGLY-UAHYIAQRSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102449" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide" . obo:CHEBI_10245 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17665 ; owl:deprecated true . obo:CHEBI_102450 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C33H44N4O3S" ; chebi:inchi "InChI=1S/C33H44N4O3S/c1-33(2,3)41(40)37-23-27-22-28(32(39)36-18-16-35(4)17-19-36)34-31(30(27)29(37)15-20-38)26-14-8-13-25(21-26)12-7-11-24-9-5-6-10-24/h8,13-14,21-22,24,29,38H,5-6,9-11,15-20,23H2,1-4H3/t29-,41?/m1/s1" ; chebi:inchikey "LIWWQJPEXSZFEM-BWCOESTKSA-N" ; chebi:mass "576.795" ; chebi:monoisotopicmass "576.31341" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C#CCC4CCCC4)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102450" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-tert-butylsulfinyl-4-[3-(3-cyclopentylprop-1-ynyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_102451 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H38FN3O6S" ; chebi:inchi "InChI=1S/C31H38FN3O6S/c1-21-17-35(18-23-9-6-7-12-28(23)32)22(2)20-41-29-15-24(13-14-27(29)31(36)34(3)19-30(21)40-5)33-42(37,38)26-11-8-10-25(16-26)39-4/h6-16,21-22,30,33H,17-20H2,1-5H3/t21-,22-,30+/m0/s1" ; chebi:inchikey "WUHLCXCEWBJVDE-MWXNICTNSA-N" ; chebi:mass "599.716" ; chebi:monoisotopicmass "599.24654" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@H]1OC)C)C)CC4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102451" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzenesulfonamide" . obo:CHEBI_102452 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25FN2O4" ; chebi:inchi "InChI=1S/C18H25FN2O4/c1-2-17(23)21-15-8-7-13(25-16(15)11-22)9-18(24)20-10-12-5-3-4-6-14(12)19/h3-6,13,15-16,22H,2,7-11H2,1H3,(H,20,24)(H,21,23)/t13-,15-,16+/m1/s1" ; chebi:inchikey "BYMJCSXXYVSKMN-BMFZPTHFSA-N" ; chebi:mass "352.401" ; chebi:monoisotopicmass "352.17984" ; chebi:smiles "CCC(=O)N[C@@H]1CC[C@@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=C2F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102452" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide" . obo:CHEBI_102453 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H31N5O5S" ; chebi:inchi "InChI=1S/C21H31N5O5S/c1-14-9-22-15(2)12-31-18-8-16(24-32(28,29)20-11-25(3)13-23-20)6-7-17(18)21(27)26(4)10-19(14)30-5/h6-8,11,13-15,19,22,24H,9-10,12H2,1-5H3/t14-,15+,19-/m1/s1" ; chebi:inchikey "QXYUWGLBJNPRKS-ZRGWGRIASA-N" ; chebi:mass "465.568" ; chebi:monoisotopicmass "465.20459" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102453" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_102454 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H28N6O4" ; chebi:inchi "InChI=1S/C26H28N6O4/c1-2-10-29-24(34)22-19(14-33)21-13-31-20(9-8-18(25(31)35)16-11-27-15-28-12-16)23(22)32(21)26(36)30-17-6-4-3-5-7-17/h3-9,11-12,15,19,21-23,33H,2,10,13-14H2,1H3,(H,29,34)(H,30,36)/t19-,21-,22+,23+/m1/s1" ; chebi:inchikey "NNSFVWHQEZSLFM-LGKPFJOYSA-N" ; chebi:mass "488.539" ; chebi:monoisotopicmass "488.21720" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CN=CN=C4)[C@@H]1N2C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102454" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13805" . obo:CHEBI_102455 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C28H33N3O6" ; chebi:inchi "InChI=1S/C28H33N3O6/c1-31-23-11-10-21(14-26(32)29-15-17-3-4-17)37-25(23)16-36-24-12-7-19(13-22(24)28(31)34)30-27(33)18-5-8-20(35-2)9-6-18/h5-9,12-13,17,21,23,25H,3-4,10-11,14-16H2,1-2H3,(H,29,32)(H,30,33)/t21-,23+,25-/m1/s1" ; chebi:inchikey "IGRBOWQNYYEHHT-NMVJMZGASA-N" ; chebi:mass "507.579" ; chebi:monoisotopicmass "507.23694" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102455" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide" . obo:CHEBI_102456 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClF2N2O4S" ; chebi:inchi "InChI=1S/C23H31ClF2N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17+,23-/m1/s1" ; chebi:inchikey "UIWWHFNWICLZIF-SAHWJRBASA-N" ; chebi:mass "505.020" ; chebi:monoisotopicmass "504.16611" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102456" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2R,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_102457 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H32N4O5S" ; chebi:inchi "InChI=1S/C29H32N4O5S/c1-33-24-6-5-21(16-27(34)31-13-10-19-8-11-30-12-9-19)38-26(24)18-37-25-7-4-20(15-23(25)29(33)36)32-28(35)17-22-3-2-14-39-22/h2-4,7-9,11-12,14-15,21,24,26H,5-6,10,13,16-18H2,1H3,(H,31,34)(H,32,35)/t21-,24-,26-/m0/s1" ; chebi:inchikey "OJLJDVMGKDSXAU-CVJWPJSTSA-N" ; chebi:mass "548.655" ; chebi:monoisotopicmass "548.20934" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102457" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102458 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C28H35N3O6S" ; chebi:inchi "InChI=1S/C28H35N3O6S/c1-18-14-31(19(2)16-32)28(33)25-13-9-8-12-24(25)23-11-7-6-10-22(23)17-36-26(18)15-30(5)38(34,35)27-20(3)29-37-21(27)4/h6-13,18-19,26,32H,14-17H2,1-5H3/t18-,19+,26-/m1/s1" ; chebi:inchikey "UYIXVJNNAXNMSD-UYXZNNOOSA-N" ; chebi:mass "541.661" ; chebi:monoisotopicmass "541.22466" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102458" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13809" . obo:CHEBI_102459 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-16(17-7-3-2-4-8-17)25-23(29)14-19-10-11-20(21(15-27)30-19)26-22(28)13-18-9-5-6-12-24-18/h2-12,16,19-21,27H,13-15H2,1H3,(H,25,29)(H,26,28)/t16-,19+,20+,21+/m1/s1" ; chebi:inchikey "GWEQQAXOIQTOQH-SEVLPDGMSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102459" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_10246 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_29042 ; owl:deprecated true . obo:CHEBI_102460 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C26H32N2O5" ; chebi:inchi "InChI=1S/C26H32N2O5/c1-32-22-10-6-5-9-17(22)18-11-12-21-23-19(14-27(21)25(18)30)20(15-29)24(26(31)33-2)28(23)13-16-7-3-4-8-16/h5-6,9-12,16,19-20,23-24,29H,3-4,7-8,13-15H2,1-2H3/t19-,20-,23+,24-/m0/s1" ; chebi:inchikey "FQNLDYTYHLYOSL-JVODISISSA-N" ; chebi:mass "452.544" ; chebi:monoisotopicmass "452.23112" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4CC5CCCC5)C(=O)OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102460" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_102461 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35ClN2O4S" ; chebi:inchi "InChI=1S/C24H35ClN2O4S/c1-18-10-12-22(13-11-18)32(29,30)26(4)16-24(31-5)19(2)14-27(20(3)17-28)15-21-8-6-7-9-23(21)25/h6-13,19-20,24,28H,14-17H2,1-5H3/t19-,20+,24-/m1/s1" ; chebi:inchikey "OWPXWWCVMFAFIQ-JXALWOEJSA-N" ; chebi:mass "483.066" ; chebi:monoisotopicmass "482.20061" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@H](C)CN(CC2=CC=CC=C2Cl)[C@@H](C)CO)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102461" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_102462 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H25N5O3" ; chebi:inchi "InChI=1S/C21H25N5O3/c27-11-16-15-10-25-17(2-1-3-18(25)28)19(15)26(9-14-6-22-12-23-7-14)20(16)21(29)24-8-13-4-5-13/h1-3,6-7,12-13,15-16,19-20,27H,4-5,8-11H2,(H,24,29)/t15-,16-,19+,20-/m0/s1" ; chebi:inchikey "RTAKVDRHOCSOCY-FEHORTKBSA-N" ; chebi:mass "395.456" ; chebi:monoisotopicmass "395.19574" ; chebi:smiles "C1CC1CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@@H]3N2CC5=CN=CN=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102462" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-1-(5-pyrimidinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102463 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O6" ; chebi:inchi "InChI=1S/C19H32N2O6/c1-2-20-18(23)9-15-3-4-16-17(27-15)12-26-11-14(22)10-21(16)19(24)13-5-7-25-8-6-13/h13-17,22H,2-12H2,1H3,(H,20,23)/t14-,15-,16-,17+/m1/s1" ; chebi:inchikey "MWTQFHHONBVRQP-VQHPVUNQSA-N" ; chebi:mass "384.468" ; chebi:monoisotopicmass "384.22604" ; chebi:smiles "CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)C3CCOCC3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102463" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[4-oxanyl(oxo)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_102464 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C21H29F3N2O4" ; chebi:inchi "InChI=1S/C21H29F3N2O4/c1-25(2)20(28)9-17-7-8-18-19(30-17)13-29-12-16(27)11-26(18)10-14-3-5-15(6-4-14)21(22,23)24/h3-6,16-19,27H,7-13H2,1-2H3/t16-,17-,18-,19+/m1/s1" ; chebi:inchikey "OUTWOBHUWTVFCP-MKXGPGLRSA-N" ; chebi:mass "430.462" ; chebi:monoisotopicmass "430.20794" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2CC3=CC=C(C=C3)C(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102464" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_102465 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_3756 ; owl:deprecated true . obo:CHEBI_102466 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18241 ; rdfs:subClassOf obo:CHEBI_21731 ; rdfs:subClassOf obo:CHEBI_48208 ; rdfs:subClassOf obo:CHEBI_48435 . _:b228 rdf:type owl:Restriction . obo:CHEBI_102466 rdfs:subClassOf _:b228 . _:b228 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b229 rdf:type owl:Restriction . obo:CHEBI_102466 rdfs:subClassOf _:b229 . _:b229 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_77751 . obo:CHEBI_102466 obo:IAO_0000115 "A 2'-deoxyribonucleoside 5'-monophosphate that is the 8-aza analogue of 2'-deoxyadenosine 5'-monophosphate." ; chebi:charge "0" ; chebi:formula "C9H13N6O6P" ; chebi:inchi "InChI=1S/C9H13N6O6P/c10-8-7-9(12-3-11-8)15(14-13-7)6-1-4(16)5(21-6)2-20-22(17,18)19/h3-6,16H,1-2H2,(H2,10,11,12)(H2,17,18,19)/t4-,5+,6+/m0/s1" ; chebi:inchikey "DTCLUNGDOJEDAI-KVQBGUIXSA-N" ; chebi:mass "332.210" ; chebi:monoisotopicmass "332.06342" ; chebi:smiles "NC1=NC=NC2=C1N=NN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102466" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "8-aza-2'-deoxyadenosine 5'-monophosphate" . obo:CHEBI_102467 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34FN3O4" ; chebi:inchi "InChI=1S/C26H34FN3O4/c1-17-13-30(14-20-8-6-7-9-23(20)27)18(2)16-34-24-12-21(28-19(3)31)10-11-22(24)26(32)29(4)15-25(17)33-5/h6-12,17-18,25H,13-16H2,1-5H3,(H,28,31)/t17-,18+,25-/m1/s1" ; chebi:inchikey "BEBQDKOSRNKXPA-FUMQJTLXSA-N" ; chebi:mass "471.565" ; chebi:monoisotopicmass "471.25333" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102467" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_102468 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H33N3O6" ; chebi:inchi "InChI=1S/C30H33N3O6/c1-37-22-10-7-20(8-11-22)32-30(36)33-21-9-12-26-24(15-21)25-16-23(38-27(18-34)29(25)39-26)17-28(35)31-14-13-19-5-3-2-4-6-19/h2-12,15,23,25,27,29,34H,13-14,16-18H2,1H3,(H,31,35)(H2,32,33,36)/t23-,25-,27-,29+/m1/s1" ; chebi:inchikey "FOSRSIPYUZSGIW-ACEYUQJJSA-N" ; chebi:mass "531.601" ; chebi:monoisotopicmass "531.23694" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102468" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_102469 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N5O4" ; chebi:inchi "InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18+,23+/m1/s1" ; chebi:inchikey "ZGJMWZDWXNCIBA-STSQHVNTSA-N" ; chebi:mass "469.577" ; chebi:monoisotopicmass "469.26890" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102469" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_10247 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27554 ; owl:deprecated true . obo:CHEBI_102470 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H28F3N3O5S" ; chebi:inchi "InChI=1S/C19H28F3N3O5S/c1-12-8-23-13(2)10-30-16-7-14(24-31(27,28)11-19(20,21)22)5-6-15(16)18(26)25(3)9-17(12)29-4/h5-7,12-13,17,23-24H,8-11H2,1-4H3/t12-,13+,17-/m0/s1" ; chebi:inchikey "BGDCTPQGAPJUMB-AHIWAGSCSA-N" ; chebi:mass "467.505" ; chebi:monoisotopicmass "467.17018" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102470" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102471 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C31H40N4O7" ; chebi:inchi "InChI=1S/C31H40N4O7/c1-34-26-9-8-24(19-29(36)32-11-4-12-35-13-15-40-16-14-35)42-28(26)20-41-27-10-7-22(18-25(27)31(34)38)33-30(37)21-5-3-6-23(17-21)39-2/h3,5-7,10,17-18,24,26,28H,4,8-9,11-16,19-20H2,1-2H3,(H,32,36)(H,33,37)/t24-,26+,28-/m0/s1" ; chebi:inchikey "ADKYEMYUARXISC-YIOBJHAYSA-N" ; chebi:mass "580.673" ; chebi:monoisotopicmass "580.28970" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102471" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide" . obo:CHEBI_102472 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H33N3O5" ; chebi:inchi "InChI=1S/C18H33N3O5/c1-25-10-9-19-17(23)11-14-7-8-15(16(12-22)26-14)21-18(24)20-13-5-3-2-4-6-13/h13-16,22H,2-12H2,1H3,(H,19,23)(H2,20,21,24)/t14-,15-,16-/m0/s1" ; chebi:inchikey "LJTZBZLXVQJQJX-JYJNAYRXSA-N" ; chebi:mass "371.472" ; chebi:monoisotopicmass "371.24202" ; chebi:smiles "COCCNC(=O)C[C@@H]1CC[C@@H]([C@@H](O1)CO)NC(=O)NC2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102472" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6R)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102473 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21+,22+,27+/m1/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-HLIRBWCUSA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C(C)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102473" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13823" . obo:CHEBI_102474 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O6" ; chebi:inchi "InChI=1S/C35H42N4O6/c1-22-18-39(23(2)20-40)34(41)33-32(27-13-9-10-14-29(27)38(33)4)26-12-8-7-11-24(26)21-45-31(22)19-37(3)35(42)36-28-16-15-25(43-5)17-30(28)44-6/h7-17,22-23,31,40H,18-21H2,1-6H3,(H,36,42)/t22-,23+,31+/m1/s1" ; chebi:inchikey "NTGYADANNGAILP-UDKTZTBJSA-N" ; chebi:mass "614.733" ; chebi:monoisotopicmass "614.31044" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102474" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13824" . obo:CHEBI_102475 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H31FN2O7S" ; chebi:inchi "InChI=1S/C24H31FN2O7S/c1-16(12-27(17(2)14-28)35(30,31)20-8-6-19(25)7-9-20)23(32-4)13-26(3)24(29)18-5-10-21-22(11-18)34-15-33-21/h5-11,16-17,23,28H,12-15H2,1-4H3/t16-,17-,23-/m1/s1" ; chebi:inchikey "QPCRGZWITIZHEP-SEPYTNNBSA-N" ; chebi:mass "510.578" ; chebi:monoisotopicmass "510.18360" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102475" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102476 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C24H32N2O5S" ; chebi:inchi "InChI=1S/C24H32N2O5S/c1-17-13-26(18(2)15-27)24(28)22-12-8-7-11-21(22)20-10-6-5-9-19(20)16-31-23(17)14-25(3)32(4,29)30/h5-12,17-18,23,27H,13-16H2,1-4H3/t17-,18+,23+/m1/s1" ; chebi:inchikey "UZINPKAPIFGTKL-STSQHVNTSA-N" ; chebi:mass "460.588" ; chebi:monoisotopicmass "460.20319" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102476" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13826" . obo:CHEBI_102477 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17+,19+,20-/m1/s1" ; chebi:inchikey "WNHZFTQVONQUSH-DJABAAGCSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102477" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13827" . obo:CHEBI_102478 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34FN3O5" ; chebi:inchi "InChI=1S/C27H34FN3O5/c1-6-25(32)29-21-11-12-22-23(13-21)36-16-18(3)31(26(33)19-7-9-20(28)10-8-19)14-17(2)24(35-5)15-30(4)27(22)34/h7-13,17-18,24H,6,14-16H2,1-5H3,(H,29,32)/t17-,18+,24-/m0/s1" ; chebi:inchikey "DLQPGZNWCDDUSB-RHGYRFJNSA-N" ; chebi:mass "499.575" ; chebi:monoisotopicmass "499.24825" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C(=O)C3=CC=C(C=C3)F)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102478" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[(4-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_102479 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H31N5O5S" ; chebi:inchi "InChI=1S/C21H31N5O5S/c1-14-9-22-15(2)12-31-18-8-16(24-32(28,29)20-11-25(3)13-23-20)6-7-17(18)21(27)26(4)10-19(14)30-5/h6-8,11,13-15,19,22,24H,9-10,12H2,1-5H3/t14-,15-,19+/m0/s1" ; chebi:inchikey "QXYUWGLBJNPRKS-YZVOILCLSA-N" ; chebi:mass "465.568" ; chebi:monoisotopicmass "465.20459" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102479" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_10248 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18341 ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10248" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-D-glucosyl-(alpha-D-mannosyl)8-beta-D-mannosyldiacetylchitobiosyldiphosphodolichol" . obo:CHEBI_102480 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H45N3O4" ; chebi:inchi "InChI=1S/C29H45N3O4/c1-20-16-32(17-22-9-6-5-7-10-22)21(2)19-36-26-15-24(30-28(33)23-11-8-12-23)13-14-25(26)29(34)31(3)18-27(20)35-4/h13-15,20-23,27H,5-12,16-19H2,1-4H3,(H,30,33)/t20-,21-,27+/m1/s1" ; chebi:inchikey "ZYUAJIZJWFLNII-GNMOFYLKSA-N" ; chebi:mass "499.686" ; chebi:monoisotopicmass "499.34101" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)CC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102480" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_102481 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-3-10-28-25(31)13-18-6-7-20-24(37-18)14-34-21-9-5-17(12-19(21)27(33)30(20)2)29-26(32)16-4-8-22-23(11-16)36-15-35-22/h4-5,8-9,11-12,18,20,24H,3,6-7,10,13-15H2,1-2H3,(H,28,31)(H,29,32)/t18-,20+,24+/m1/s1" ; chebi:inchikey "OHHWUSSTVAUIQP-WWEVIYMKSA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N2C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102481" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102482 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-18-13-30(14-21-8-6-7-11-27-21)19(2)16-35-23-10-9-20(28-25(31)17-33-4)12-22(23)26(32)29(3)15-24(18)34-5/h6-12,18-19,24H,13-17H2,1-5H3,(H,28,31)/t18-,19+,24-/m0/s1" ; chebi:inchikey "FQDNKYOBJJPTQR-GLDPYIMESA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102482" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_102483 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C24H25N3O5S" ; chebi:inchi "InChI=1S/C24H25N3O5S/c1-31-15-5-3-4-14(10-15)16-6-7-19-21-17(11-26(19)23(16)29)18(13-28)22(24(30)32-2)27(21)12-20-25-8-9-33-20/h3-10,17-18,21-22,28H,11-13H2,1-2H3/t17-,18-,21+,22-/m0/s1" ; chebi:inchikey "VROAXWWRWFQWDA-HXHBTQRASA-N" ; chebi:mass "467.539" ; chebi:monoisotopicmass "467.15149" ; chebi:smiles "COC1=CC=CC(=C1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4CC5=NC=CS5)C(=O)OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102483" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-6-oxo-1-(2-thiazolylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_102484 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; rdfs:subClassOf obo:CHEBI_55373 ; rdfs:subClassOf obo:CHEBI_87228 . _:b230 rdf:type owl:Restriction . obo:CHEBI_102484 rdfs:subClassOf _:b230 . _:b230 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36047 . _:b231 rdf:type owl:Restriction . obo:CHEBI_102484 rdfs:subClassOf _:b231 . _:b231 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_88188 . _:b232 rdf:type owl:Restriction . obo:CHEBI_102484 rdfs:subClassOf _:b232 . _:b232 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_45373 . obo:CHEBI_102484 obo:IAO_0000115 "A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms." ; chebi:charge "0" ; chebi:formula "C11H13N3O3S" ; chebi:inchi "InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3" ; chebi:inchikey "NHUHCSRWZMLRLA-UHFFFAOYSA-N" ; chebi:mass "267.30400" ; chebi:monoisotopicmass "267.06776" ; chebi:smiles "Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C" ; oboInOwl:hasAlternativeId "CHEBI:9343" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102484" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "sulfisoxazole" . obo:CHEBI_102485 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_19255 ; rdfs:subClassOf obo:CHEBI_33859 ; rdfs:subClassOf obo:CHEBI_60783 . _:b233 rdf:type owl:Restriction . obo:CHEBI_102485 rdfs:subClassOf _:b233 . _:b233 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b234 rdf:type owl:Restriction . obo:CHEBI_102485 rdfs:subClassOf _:b234 . _:b234 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_49103 . _:b235 rdf:type owl:Restriction . obo:CHEBI_102485 rdfs:subClassOf _:b235 . _:b235 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17568 . obo:CHEBI_102485 obo:IAO_0000115 "A nucleoside analogue that is 2'-deoxyuridine in which the hydrogen at position 5 on the uracil ring is replaced by a carboxy group." ; chebi:charge "0" ; chebi:formula "C10H12N2O7" ; chebi:inchi "InChI=1S/C10H12N2O7/c13-3-6-5(14)1-7(19-6)12-2-4(9(16)17)8(15)11-10(12)18/h2,5-7,13-14H,1,3H2,(H,16,17)(H,11,15,18)/t5-,6+,7+/m0/s1" ; chebi:inchikey "GAGYTXTVUMXAOC-RRKCRQDMSA-N" ; chebi:mass "272.212" ; chebi:monoisotopicmass "272.06445" ; chebi:smiles "[C@@H]1(N2C(NC(=O)C(=C2)C(=O)O)=O)O[C@H](CO)[C@H](C1)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102485" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "5-carboxy-2'-deoxyuridine" . obo:CHEBI_102486 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C30H35N3O8" ; chebi:inchi "InChI=1S/C30H35N3O8/c1-33-23-5-4-21(14-28(34)31-15-18-2-6-25-26(12-18)40-17-39-25)41-27(23)16-38-24-7-3-20(13-22(24)30(33)36)32-29(35)19-8-10-37-11-9-19/h2-3,6-7,12-13,19,21,23,27H,4-5,8-11,14-17H2,1H3,(H,31,34)(H,32,35)/t21-,23+,27+/m0/s1" ; chebi:inchikey "JZWHDUCFLDKMHA-VBANMALSSA-N" ; chebi:mass "565.615" ; chebi:monoisotopicmass "565.24242" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102486" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102487 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31F3N4O5S2" ; chebi:inchi "InChI=1S/C23H31F3N4O5S2/c1-15-10-30(12-21-27-7-8-36-21)16(2)13-35-19-6-5-17(28-37(32,33)14-23(24,25)26)9-18(19)22(31)29(3)11-20(15)34-4/h5-9,15-16,20,28H,10-14H2,1-4H3/t15-,16-,20+/m1/s1" ; chebi:inchikey "CQZVRHUHRGDROH-QINHECLXSA-N" ; chebi:mass "564.644" ; chebi:monoisotopicmass "564.16880" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102487" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102488 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37FN4O4" ; chebi:inchi "InChI=1S/C28H37FN4O4/c1-18-14-33(15-20-9-10-20)19(2)17-37-25-13-21(30-28(35)31-24-8-6-5-7-23(24)29)11-12-22(25)27(34)32(3)16-26(18)36-4/h5-8,11-13,18-20,26H,9-10,14-17H2,1-4H3,(H2,30,31,35)/t18-,19-,26-/m1/s1" ; chebi:inchikey "SXLNUQFFJOVPKX-LJKQEARRSA-N" ; chebi:mass "512.617" ; chebi:monoisotopicmass "512.27988" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102488" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea" . obo:CHEBI_102489 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H26F3N3O6" ; chebi:inchi "InChI=1S/C24H26F3N3O6/c1-34-15-5-2-13(3-6-15)29-23(33)30-14-4-7-19-17(8-14)18-9-16(35-20(11-31)22(18)36-19)10-21(32)28-12-24(25,26)27/h2-8,16,18,20,22,31H,9-12H2,1H3,(H,28,32)(H2,29,30,33)/t16-,18-,20+,22+/m1/s1" ; chebi:inchikey "SPGVKSWBRQENOP-MDRHQERFSA-N" ; chebi:mass "509.476" ; chebi:monoisotopicmass "509.17737" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102489" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide" . obo:CHEBI_10249 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16295 ; owl:deprecated true . obo:CHEBI_102490 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H35N3O5" ; chebi:inchi "InChI=1S/C31H35N3O5/c1-34(2)18-30(37)33-23-12-13-27-25(14-23)26-15-24(38-28(19-35)31(26)39-27)16-29(36)32-17-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-14,24,26,28,31,35H,15-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,26+,28+,31-/m1/s1" ; chebi:inchikey "BRDKARYWUSDFKE-LJJPEMRYSA-N" ; chebi:mass "529.628" ; chebi:monoisotopicmass "529.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102490" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_102491 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19+,20-/m0/s1" ; chebi:inchikey "YSDDRAAKFDNITG-QLIIJSOBSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102491" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_102492 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H30N2O6S2" ; chebi:inchi "InChI=1S/C22H30N2O6S2/c1-16-7-3-5-9-21(16)31(26,27)23-14-13-18-11-12-19(20(15-25)30-18)24-32(28,29)22-10-6-4-8-17(22)2/h3-10,18-20,23-25H,11-15H2,1-2H3/t18-,19+,20-/m0/s1" ; chebi:inchikey "NMMAJMJUDCVZMW-ZCNNSNEGSA-N" ; chebi:mass "482.616" ; chebi:monoisotopicmass "482.15453" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102492" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-methylbenzenesulfonamide" . obo:CHEBI_102493 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21+,23-,25-,27+/m0/s1" ; chebi:inchikey "SNGIXDWGPLKZOT-AKGJGXJDSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102493" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_102494 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C27H30N2O5S" ; chebi:inchi "InChI=1S/C27H30N2O5S/c1-27(2,3)35(33)29-16-20-15-22(26(31)32)28-25(24(20)23(29)11-12-30)19-9-5-7-17(13-19)18-8-6-10-21(14-18)34-4/h5-10,13-15,23,30H,11-12,16H2,1-4H3,(H,31,32)/t23-,35?/m0/s1" ; chebi:inchikey "SQSYVIJPLUBFQG-MYJVBWMHSA-N" ; chebi:mass "494.605" ; chebi:monoisotopicmass "494.18754" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102494" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid" . obo:CHEBI_102495 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32ClFN2O4S" ; chebi:inchi "InChI=1S/C23H32ClFN2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)24)23(31-4)15-26(3)32(29,30)21-11-9-20(25)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18-,23+/m0/s1" ; chebi:inchikey "IVUAVXPBXQRVFC-IUKKYPGJSA-N" ; chebi:mass "487.029" ; chebi:monoisotopicmass "486.17553" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102495" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_102496 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H35N5O6" ; chebi:inchi "InChI=1S/C27H35N5O6/c1-16-21(14-31(2)30-16)29-25(33)13-19-5-6-22-24(38-19)15-37-23-7-4-18(12-20(23)27(35)32(22)3)28-26(34)17-8-10-36-11-9-17/h4,7,12,14,17,19,22,24H,5-6,8-11,13,15H2,1-3H3,(H,28,34)(H,29,33)/t19-,22+,24+/m1/s1" ; chebi:inchikey "KFDLRFOLOVMTJG-UCFCWBNQSA-N" ; chebi:mass "525.598" ; chebi:monoisotopicmass "525.25873" ; chebi:smiles "CC1=NN(C=C1NC(=O)C[C@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102496" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102497 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H24F2N2O6S" ; chebi:inchi "InChI=1S/C22H24F2N2O6S/c1-33(29,30)26-14-3-5-19-16(7-14)17-8-15(31-20(11-27)22(17)32-19)9-21(28)25-10-12-6-13(23)2-4-18(12)24/h2-7,15,17,20,22,26-27H,8-11H2,1H3,(H,25,28)/t15-,17-,20-,22+/m1/s1" ; chebi:inchikey "IELDZLYSVNRCSJ-HHRWBCNNSA-N" ; chebi:mass "482.499" ; chebi:monoisotopicmass "482.13231" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102497" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_102498 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C25H29N3O3" ; chebi:inchi "InChI=1S/C25H29N3O3/c29-15-19-21-14-27-20(6-3-7-22(27)30)24(28(21)12-16-8-9-16)23(19)25(31)26-11-10-17-4-1-2-5-18(17)13-26/h1-7,16,19,21,23-24,29H,8-15H2/t19-,21-,23+,24+/m0/s1" ; chebi:inchikey "MQRDGSKRUJYVOI-NAMDQGSHSA-N" ; chebi:mass "419.517" ; chebi:monoisotopicmass "419.22089" ; chebi:smiles "C1CC1CN2[C@H]3CN4C(=O)C=CC=C4[C@@H]2[C@@H]([C@H]3CO)C(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102498" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13847" . obo:CHEBI_102499 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34FN3O6S" ; chebi:inchi "InChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23+,25-,27-/m0/s1" ; chebi:inchikey "PHBUKTREHITDBU-OGMXRKNYSA-N" ; chebi:mass "547.641" ; chebi:monoisotopicmass "547.21524" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102499" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_1025 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16333 ; owl:deprecated true . obo:CHEBI_102500 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H40FN3O5" ; chebi:inchi "InChI=1S/C30H40FN3O5/c1-20-16-34(17-22-11-13-38-14-12-22)21(2)19-39-27-10-9-23(32-29(35)24-7-5-6-8-26(24)31)15-25(27)30(36)33(3)18-28(20)37-4/h5-10,15,20-22,28H,11-14,16-19H2,1-4H3,(H,32,35)/t20-,21-,28-/m0/s1" ; chebi:inchikey "PDYFFKDIVHOONQ-CZBREUMFSA-N" ; chebi:mass "541.655" ; chebi:monoisotopicmass "541.29520" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)CC4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102500" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102501 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H29FN2O4" ; chebi:inchi "InChI=1S/C25H29FN2O4/c1-32-25(31)22-18(14-29)21-13-28-20(23(22)27(21)12-15-6-2-3-7-15)11-10-17(24(28)30)16-8-4-5-9-19(16)26/h4-5,8-11,15,18,21-23,29H,2-3,6-7,12-14H2,1H3/t18-,21-,22+,23+/m0/s1" ; chebi:inchikey "PYNGVIMXOMYUPN-XSEFMFLKSA-N" ; chebi:mass "440.508" ; chebi:monoisotopicmass "440.21114" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@H]1N2CC5CCCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102501" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13850" . obo:CHEBI_102502 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25F2N3O5" ; chebi:inchi "InChI=1S/C24H25F2N3O5/c1-27-22(30)11-17-4-5-19-21(34-17)12-33-20-6-3-16(10-18(20)24(32)29(19)2)28-23(31)13-7-14(25)9-15(26)8-13/h3,6-10,17,19,21H,4-5,11-12H2,1-2H3,(H,27,30)(H,28,31)/t17-,19+,21+/m1/s1" ; chebi:inchikey "RQAOUBOGQGVTCU-LMNJBCLMSA-N" ; chebi:mass "473.470" ; chebi:monoisotopicmass "473.17623" ; chebi:smiles "CNC(=O)C[C@H]1CC[C@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC(=CC(=C4)F)F)C(=O)N2C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102502" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide" . obo:CHEBI_102503 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23-,26+,28-/m0/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-PWQSGXPHSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102503" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102504 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C30H35N3O8" ; chebi:inchi "InChI=1S/C30H35N3O8/c1-33-23-5-4-21(14-28(34)31-15-18-2-6-25-26(12-18)40-17-39-25)41-27(23)16-38-24-7-3-20(13-22(24)30(33)36)32-29(35)19-8-10-37-11-9-19/h2-3,6-7,12-13,19,21,23,27H,4-5,8-11,14-17H2,1H3,(H,31,34)(H,32,35)/t21-,23+,27-/m1/s1" ; chebi:inchikey "JZWHDUCFLDKMHA-MRCUYLHHSA-N" ; chebi:mass "565.615" ; chebi:monoisotopicmass "565.24242" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102504" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102505 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H35N3O4S" ; chebi:inchi "InChI=1S/C29H35N3O4S/c1-29(2,3)37(35)32-18-22-17-24(28(34)31(4)5)30-27(26(22)25(32)14-15-33)21-9-7-8-20(16-21)19-10-12-23(36-6)13-11-19/h7-13,16-17,25,33H,14-15,18H2,1-6H3/t25-,37-/m0/s1" ; chebi:inchikey "QYSQYMZBXYWZNF-RSUXDYMJSA-N" ; chebi:mass "521.673" ; chebi:monoisotopicmass "521.23483" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)OC)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102505" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102506 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H38N4O3" ; chebi:inchi "InChI=1S/C32H38N4O3/c1-22-17-36(23(2)20-37)32(38)31-30(27-13-7-8-14-28(27)35(31)4)26-12-6-5-11-25(26)21-39-29(22)19-34(3)18-24-10-9-15-33-16-24/h5-16,22-23,29,37H,17-21H2,1-4H3/t22-,23+,29-/m1/s1" ; chebi:inchikey "RPGWXCDGQSLPTH-RLPNJSHFSA-N" ; chebi:mass "526.670" ; chebi:monoisotopicmass "526.29439" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CN=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102506" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13855" . obo:CHEBI_102507 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20-,22-,24+/m1/s1" ; chebi:inchikey "YBRLGVDHYMUGPQ-QSOCRCLWSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CCNC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)N[C@H](C)C4=CC=CC=C4)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102507" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102508 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C16H24N2O4" ; chebi:inchi "InChI=1S/C16H24N2O4/c19-9-14-13(18-16(21)10-4-5-10)7-6-12(22-14)8-15(20)17-11-2-1-3-11/h6-7,10-14,19H,1-5,8-9H2,(H,17,20)(H,18,21)/t12-,13-,14-/m1/s1" ; chebi:inchikey "RGLUKSSVDYQFDC-MGPQQGTHSA-N" ; chebi:mass "308.373" ; chebi:monoisotopicmass "308.17361" ; chebi:smiles "C1CC(C1)NC(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102508" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-(cyclobutylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide" . obo:CHEBI_102509 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H19FN2O3S" ; chebi:inchi "InChI=1S/C21H19FN2O3S/c1-2-28(26,27)24-19(13-23)21(20(24)14-25)17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)22/h3-6,8-9,11-12,19-21,25H,2,14H2,1H3/t19-,20+,21-/m0/s1" ; chebi:inchikey "UCQARJGLVBPITC-HBMCJLEFSA-N" ; chebi:mass "398.452" ; chebi:monoisotopicmass "398.11004" ; chebi:smiles "CCS(=O)(=O)N1[C@@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C#CC3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102509" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_10251 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27516 ; owl:deprecated true . obo:CHEBI_102510 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35FN4O6" ; chebi:inchi "InChI=1S/C27H35FN4O6/c1-17-13-32(25(33)16-36-4)18(2)15-38-23-10-9-21(12-22(23)26(34)31(3)14-24(17)37-5)30-27(35)29-20-8-6-7-19(28)11-20/h6-12,17-18,24H,13-16H2,1-5H3,(H2,29,30,35)/t17-,18+,24+/m0/s1" ; chebi:inchikey "ZQFWKBSGTDYKBN-HOOSLVGPSA-N" ; chebi:mass "530.589" ; chebi:monoisotopicmass "530.25406" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102510" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4R,7S,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102511 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H32F2N6O5" ; chebi:inchi "InChI=1S/C29H32F2N6O5/c1-17-14-37(28(39)24-13-32-9-10-33-24)18(2)16-42-25-12-20(6-7-21(25)27(38)36(3)15-26(17)41-4)34-29(40)35-23-11-19(30)5-8-22(23)31/h5-13,17-18,26H,14-16H2,1-4H3,(H2,34,35,40)/t17-,18+,26+/m1/s1" ; chebi:inchikey "ZXQGUZCJBQNBQR-ZENTWMBTSA-N" ; chebi:mass "582.599" ; chebi:monoisotopicmass "582.24022" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=NC=CN=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102511" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102512 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H29N5O5" ; chebi:inchi "InChI=1S/C23H29N5O5/c29-18-12-28(23(31)27-16-4-2-1-3-5-16)20-7-6-19(33-21(20)14-32-13-18)10-22(30)25-11-17-8-9-24-15-26-17/h1-5,8-9,15,18-21,29H,6-7,10-14H2,(H,25,30)(H,27,31)/t18-,19+,20+,21-/m0/s1" ; chebi:inchikey "DCLGJFWUMIZFMI-BQJUDKOJSA-N" ; chebi:mass "455.508" ; chebi:monoisotopicmass "455.21687" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)NC3=CC=CC=C3)O)O[C@H]1CC(=O)NCC4=NC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102512" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8R,10aR)-3-hydroxy-8-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-N-phenyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102513 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C24H29N3O6S" ; chebi:inchi "InChI=1S/C24H29N3O6S/c1-33-20-6-4-3-5-15(20)16-9-10-19-21-17(12-26(19)24(16)30)18(13-28)22(27(21)34(2,31)32)23(29)25-11-14-7-8-14/h3-6,9-10,14,17-18,21-22,28H,7-8,11-13H2,1-2H3,(H,25,29)/t17-,18-,21+,22-/m1/s1" ; chebi:inchikey "WJZKQLYLFQXOJV-RPHTVSPISA-N" ; chebi:mass "487.571" ; chebi:monoisotopicmass "487.17771" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C3[C@@H]4[C@H](CN3C2=O)[C@H]([C@@H](N4S(=O)(=O)C)C(=O)NCC5CC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102513" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-(cyclopropylmethyl)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-1-methylsulfonyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102514 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-38-28(21)18-31(3)39(35,36)29-16-10-9-15-27(29)37-4/h5-16,21-22,28,33H,17-20H2,1-4H3/t21-,22+,28-/m0/s1" ; chebi:inchikey "IDILRECQKBLRIF-TYPXCFOJSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102514" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13863" . obo:CHEBI_102515 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C16H28N2O5" ; chebi:inchi "InChI=1S/C16H28N2O5/c1-18(2)15(20)9-12-3-4-13(14(10-19)23-12)17-16(21)11-5-7-22-8-6-11/h11-14,19H,3-10H2,1-2H3,(H,17,21)/t12-,13+,14+/m0/s1" ; chebi:inchikey "WYRQMVCVXSYSKJ-BFHYXJOUSA-N" ; chebi:mass "328.405" ; chebi:monoisotopicmass "328.19982" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@H]([C@H](O1)CO)NC(=O)C2CCOCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102515" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide" . obo:CHEBI_102516 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; rdfs:subClassOf obo:CHEBI_37921 ; rdfs:subClassOf obo:CHEBI_87228 . _:b236 rdf:type owl:Restriction . obo:CHEBI_102516 rdfs:subClassOf _:b236 . _:b236 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35441 . _:b237 rdf:type owl:Restriction . obo:CHEBI_102516 rdfs:subClassOf _:b237 . _:b237 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50502 . _:b238 rdf:type owl:Restriction . obo:CHEBI_102516 rdfs:subClassOf _:b238 . _:b238 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_88188 . _:b239 rdf:type owl:Restriction . obo:CHEBI_102516 rdfs:subClassOf _:b239 . _:b239 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_45373 . obo:CHEBI_102516 obo:IAO_0000115 "A sulfonamide consisting of pyridazine having a methoxy substituent at the 6-position and a 4-aminobenzenesulfonamido group at the 3-position." ; chebi:charge "0" ; chebi:formula "C11H12N4O3S" ; chebi:inchi "InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)" ; chebi:inchikey "VLYWMPOKSSWJAL-UHFFFAOYSA-N" ; chebi:mass "280.304" ; chebi:monoisotopicmass "280.06301" ; chebi:smiles "C1=CC(=CC=C1N)S(NC2=NN=C(C=C2)OC)(=O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102516" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "sulfamethoxypyridazine" . obo:CHEBI_102517 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33859 ; rdfs:subClassOf obo:CHEBI_36995 ; rdfs:subClassOf obo:CHEBI_48208 . _:b240 rdf:type owl:Restriction . obo:CHEBI_102517 rdfs:subClassOf _:b240 . _:b240 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b241 rdf:type owl:Restriction . obo:CHEBI_102517 rdfs:subClassOf _:b241 . _:b241 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17622 . obo:CHEBI_102517 obo:IAO_0000115 "A nucleoside monophosphate analogue that is 2'-deoxyuridine-5'-monophosphate in which the hydrogen at position 5 on the uracil ring is replaced by a carboxy group." ; chebi:charge "0" ; chebi:formula "C10H13N2O10P" ; chebi:inchi "InChI=1S/C10H13N2O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)12-2-4(9(15)16)8(14)11-10(12)17/h2,5-7,13H,1,3H2,(H,15,16)(H,11,14,17)(H2,18,19,20)/t5-,6+,7+/m0/s1" ; chebi:inchikey "YJPIHSPFORSHEC-RRKCRQDMSA-N" ; chebi:mass "352.192" ; chebi:monoisotopicmass "352.03078" ; chebi:smiles "[C@@H]1(N2C(NC(=O)C(=C2)C(=O)O)=O)O[C@H](COP(O)(=O)O)[C@H](C1)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102517" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "5-carboxy-2'-deoxyuridine 5'-monophosphate" . obo:CHEBI_102518 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H35N3O7S" ; chebi:inchi "InChI=1S/C31H35N3O7S/c1-20-8-12-24(13-9-20)42(37,38)33-22-10-15-28-25(16-22)31(36)34(2)26-14-11-23(41-29(26)19-40-28)17-30(35)32-18-21-6-4-5-7-27(21)39-3/h4-10,12-13,15-16,23,26,29,33H,11,14,17-19H2,1-3H3,(H,32,35)/t23-,26-,29+/m1/s1" ; chebi:inchikey "GYVRMNXHBKDJFJ-FIYSCABWSA-N" ; chebi:mass "593.693" ; chebi:monoisotopicmass "593.21957" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)NCC5=CC=CC=C5OC)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102518" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_102519 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-2-11-24-21(27)25-18(12-23)20(19(25)13-26)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-20,26H,2,11,13H2,1H3,(H,24,27)/t18-,19-,20+/m1/s1" ; chebi:inchikey "NYKFFZXKZNVNOG-AQNXPRMDSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CCCNC(=O)N1[C@@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102519" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide" . obo:CHEBI_10252 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27602 ; owl:deprecated true . obo:CHEBI_102520 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H38FN3O4" ; chebi:inchi "InChI=1S/C28H38FN3O4/c1-6-7-27(33)30-23-12-13-24-25(14-23)36-18-20(3)32(16-21-8-10-22(29)11-9-21)15-19(2)26(35-5)17-31(4)28(24)34/h8-14,19-20,26H,6-7,15-18H2,1-5H3,(H,30,33)/t19-,20+,26-/m1/s1" ; chebi:inchikey "KMKGAVOVEHQLPH-BVFVYWQFSA-N" ; chebi:mass "499.618" ; chebi:monoisotopicmass "499.28463" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CC3=CC=C(C=C3)F)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102520" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-[(4-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_102521 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-26(2)17-8-9-21-19(12-17)20-13-18(29-22(15-27)24(20)30-21)14-23(28)25-11-10-16-6-4-3-5-7-16/h3-9,12,18,20,22,24,27H,10-11,13-15H2,1-2H3,(H,25,28)/t18-,20-,22+,24+/m0/s1" ; chebi:inchikey "VTJOJCWIVRUFJE-YCYVKTGYSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102521" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_102522 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O6" ; chebi:inchi "InChI=1S/C30H38ClN5O6/c1-35-25-9-8-21(18-28(37)32-11-4-12-36-13-15-40-16-14-36)42-27(25)19-41-26-10-7-20(17-22(26)29(35)38)33-30(39)34-24-6-3-2-5-23(24)31/h2-3,5-7,10,17,21,25,27H,4,8-9,11-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t21-,25+,27+/m1/s1" ; chebi:inchikey "MRBZRZGKCPBOJB-UDZXTKBFSA-N" ; chebi:mass "600.107" ; chebi:monoisotopicmass "599.25106" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102522" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_102523 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32FN3O7S" ; chebi:inchi "InChI=1S/C30H32FN3O7S/c1-34-25-12-11-22(16-29(35)32-17-19-6-5-7-21(14-19)39-2)41-27(25)18-40-26-13-10-20(15-23(26)30(34)36)33-42(37,38)28-9-4-3-8-24(28)31/h3-10,13-15,22,25,27,33H,11-12,16-18H2,1-2H3,(H,32,35)/t22-,25-,27-/m0/s1" ; chebi:inchikey "MRUYUJCJGOFQDV-LNBJVWSJSA-N" ; chebi:mass "597.657" ; chebi:monoisotopicmass "597.19450" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102523" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide" . obo:CHEBI_102524 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22693 . _:b242 rdf:type owl:Restriction . obo:CHEBI_102524 rdfs:subClassOf _:b242 . _:b242 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35480 . _:b243 rdf:type owl:Restriction . obo:CHEBI_102524 rdfs:subClassOf _:b243 . _:b243 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35717 . _:b244 rdf:type owl:Restriction . obo:CHEBI_102524 rdfs:subClassOf _:b244 . _:b244 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_16294 . obo:CHEBI_102524 obo:IAO_0000115 "A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by an allyl group and an isobutyl group. Frequently combined with other medicines, such as aspirin, paracetamol and codeine, it is used for treatment of pain and headache." ; chebi:charge "0" ; chebi:formula "C11H16N2O3" ; chebi:inchi "InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)" ; chebi:inchikey "UZVHFVZFNXBMQJ-UHFFFAOYSA-N" ; chebi:mass "224.25630" ; chebi:monoisotopicmass "224.11609" ; chebi:smiles "CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102524" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "butalbital" . obo:CHEBI_102525 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20706 ; rdfs:subClassOf obo:CHEBI_22475 ; rdfs:subClassOf obo:CHEBI_24373 ; rdfs:subClassOf obo:CHEBI_29347 ; rdfs:subClassOf obo:CHEBI_67142 . _:b245 rdf:type owl:Restriction . obo:CHEBI_102525 rdfs:subClassOf _:b245 . _:b245 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b246 rdf:type owl:Restriction . obo:CHEBI_102525 rdfs:subClassOf _:b246 . _:b246 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_16708 . obo:CHEBI_102525 obo:IAO_0000115 "A nucleobase analogue that is adenine in which one of the exocyclic amino hydrogens is replaced by a carbamoylmethyl group." ; chebi:charge "0" ; chebi:formula "C7H8N6O" ; chebi:inchi "InChI=1S/C7H8N6O/c8-4(14)1-9-6-5-7(11-2-10-5)13-3-12-6/h2-3H,1H2,(H2,8,14)(H2,9,10,11,12,13)" ; chebi:inchikey "WIFHSKZDPZUSLN-UHFFFAOYSA-N" ; chebi:mass "192.178" ; chebi:monoisotopicmass "192.07596" ; chebi:smiles "C=12C(=NC=NC1NCC(=O)N)NC=N2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102525" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N(6)-carbamoylmethyladenine" . obo:CHEBI_102526 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H29N5O5" ; chebi:inchi "InChI=1S/C23H29N5O5/c29-18-12-28(23(31)27-16-4-2-1-3-5-16)20-7-6-19(33-21(20)14-32-13-18)10-22(30)25-11-17-8-9-24-15-26-17/h1-5,8-9,15,18-21,29H,6-7,10-14H2,(H,25,30)(H,27,31)/t18-,19-,20+,21-/m0/s1" ; chebi:inchikey "DCLGJFWUMIZFMI-BURNTYAHSA-N" ; chebi:mass "455.508" ; chebi:monoisotopicmass "455.21687" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)NC3=CC=CC=C3)O)O[C@@H]1CC(=O)NCC4=NC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102526" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-3-hydroxy-8-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-N-phenyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102527 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C37H46N4O4" ; chebi:inchi "InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26+,32-,33+/m1/s1" ; chebi:inchikey "UJZHWGMAKJZUOC-IHIRBFILSA-N" ; chebi:mass "610.787" ; chebi:monoisotopicmass "610.35191" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102527" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13874" . obo:CHEBI_102528 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H23FN4O4" ; chebi:inchi "InChI=1S/C20H23FN4O4/c21-14-3-1-13(2-4-14)20(28)25-17-6-5-16(29-18(17)11-26)9-19(27)23-10-15-7-8-22-12-24-15/h1-4,7-8,12,16-18,26H,5-6,9-11H2,(H,23,27)(H,25,28)/t16-,17+,18+/m1/s1" ; chebi:inchikey "KXCVLZMSFBFHGZ-SQNIBIBYSA-N" ; chebi:mass "402.420" ; chebi:monoisotopicmass "402.17033" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102528" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide" . obo:CHEBI_102529 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H31ClN2O6S" ; chebi:inchi "InChI=1S/C22H31ClN2O6S/c23-16-5-4-6-19(11-16)32(28,29)25-13-17(26)14-30-15-21-20(25)8-7-18(31-21)12-22(27)24-9-2-1-3-10-24/h4-6,11,17-18,20-21,26H,1-3,7-10,12-15H2/t17-,18-,20-,21+/m0/s1" ; chebi:inchikey "WUWHFUUUQPRUMO-JYAXBFRTSA-N" ; chebi:mass "487.011" ; chebi:monoisotopicmass "486.15914" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3S(=O)(=O)C4=CC(=CC=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102529" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_10253 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_52773 ; owl:deprecated true . obo:CHEBI_102530 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H22F3N3O5" ; chebi:inchi "InChI=1S/C22H22F3N3O5/c23-22(24,25)11-27-19(30)8-14-7-16-15-6-13(28-21(31)12-2-1-5-26-9-12)3-4-17(15)33-20(16)18(10-29)32-14/h1-6,9,14,16,18,20,29H,7-8,10-11H2,(H,27,30)(H,28,31)/t14-,16-,18-,20+/m1/s1" ; chebi:inchikey "ILIPRRONQGJVHL-ODZKNYGOSA-N" ; chebi:mass "465.423" ; chebi:monoisotopicmass "465.15116" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102530" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_102531 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H30N4O5S" ; chebi:inchi "InChI=1S/C24H30N4O5S/c1-32-21-9-5-8-19(14-21)23-15-28(27-25-23)13-12-20-10-11-22(24(16-29)33-20)26-34(30,31)17-18-6-3-2-4-7-18/h2-9,14-15,20,22,24,26,29H,10-13,16-17H2,1H3/t20-,22-,24-/m0/s1" ; chebi:inchikey "LQIYJTVMCFCXBS-SSPYTLHUSA-N" ; chebi:mass "486.586" ; chebi:monoisotopicmass "486.19369" ; chebi:smiles "COC1=CC=CC(=C1)C2=CN(N=N2)CC[C@@H]3CC[C@@H]([C@@H](O3)CO)NS(=O)(=O)CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102531" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide" . obo:CHEBI_102532 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H41N3O5" ; chebi:inchi "InChI=1S/C33H41N3O5/c1-23-20-36(17-16-25-10-7-6-8-11-25)24(2)22-41-30-15-14-27(19-29(30)33(38)35(3)21-31(23)40-5)34-32(37)26-12-9-13-28(18-26)39-4/h6-15,18-19,23-24,31H,16-17,20-22H2,1-5H3,(H,34,37)/t23-,24-,31+/m1/s1" ; chebi:inchikey "OXAYHDRNXZXDOZ-GQIGMWPISA-N" ; chebi:mass "559.697" ; chebi:monoisotopicmass "559.30462" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102532" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102533 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H36N2O6S" ; chebi:inchi "InChI=1S/C22H36N2O6S/c1-17(21(29-4)15-23(3)22(26)19-10-12-30-13-11-19)14-24(18(2)16-25)31(27,28)20-8-6-5-7-9-20/h5-9,17-19,21,25H,10-16H2,1-4H3/t17-,18-,21+/m0/s1" ; chebi:inchikey "SLHJHGLJXJFOQY-BBTUJRGHSA-N" ; chebi:mass "456.598" ; chebi:monoisotopicmass "456.22941" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102533" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_102534 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H27NO7" ; chebi:inchi "InChI=1S/C21H27NO7/c1-26-19(24)10-14-9-16-15-8-13(22-21(25)12-4-6-27-7-5-12)2-3-17(15)29-20(16)18(11-23)28-14/h2-3,8,12,14,16,18,20,23H,4-7,9-11H2,1H3,(H,22,25)/t14-,16-,18+,20+/m1/s1" ; chebi:inchikey "CYYYAXPAVULRAL-BIJSTVTOSA-N" ; chebi:mass "405.442" ; chebi:monoisotopicmass "405.17875" ; chebi:smiles "COC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102534" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102535 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C28H29FN4O3" ; chebi:inchi "InChI=1S/C28H29FN4O3/c29-20-5-1-3-18(11-20)12-31-27(35)25-22(16-34)24-15-33-23(26(25)32(24)14-17-6-7-17)9-8-21(28(33)36)19-4-2-10-30-13-19/h1-5,8-11,13,17,22,24-26,34H,6-7,12,14-16H2,(H,31,35)/t22-,24-,25+,26+/m1/s1" ; chebi:inchikey "BFDAKIJRIQBPOO-BPHNFWMXSA-N" ; chebi:mass "488.554" ; chebi:monoisotopicmass "488.22237" ; chebi:smiles "C1CC1CN2[C@@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@H]2[C@H]([C@@H]3CO)C(=O)NCC6=CC(=CC=C6)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102535" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13882" . obo:CHEBI_102536 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O4" ; chebi:inchi "InChI=1S/C26H36N4O4/c1-6-25(31)28-21-7-8-23-22(13-21)26(32)29(4)16-24(33-5)18(2)14-30(19(3)17-34-23)15-20-9-11-27-12-10-20/h7-13,18-19,24H,6,14-17H2,1-5H3,(H,28,31)/t18-,19-,24-/m1/s1" ; chebi:inchikey "AICRRUIGWBNRBB-KHCICDEESA-N" ; chebi:mass "468.589" ; chebi:monoisotopicmass "468.27366" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102536" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_102537 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C23H34FN3O4" ; chebi:inchi "InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20-,21-,22+/m1/s1" ; chebi:inchikey "UZQWVSGPDQQYNK-YSFYHYPLSA-N" ; chebi:mass "435.533" ; chebi:monoisotopicmass "435.25333" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3CC4=CC(=CC=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102537" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_102538 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H27NO8S" ; chebi:inchi "InChI=1S/C19H27NO8S/c1-25-16-5-3-4-6-18(16)29(23,24)20-10-13(21)11-27-12-17-15(20)8-7-14(28-17)9-19(22)26-2/h3-6,13-15,17,21H,7-12H2,1-2H3/t13-,14-,15-,17+/m0/s1" ; chebi:inchikey "WAKYUTRBASZCGN-QBYUYEEZSA-N" ; chebi:mass "429.486" ; chebi:monoisotopicmass "429.14574" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)OC)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102538" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_102539 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H33N5O5" ; chebi:inchi "InChI=1S/C23H33N5O5/c1-13-10-24-14(2)12-32-19-9-17(25-23(30)26-21-15(3)27-33-16(21)4)7-8-18(19)22(29)28(5)11-20(13)31-6/h7-9,13-14,20,24H,10-12H2,1-6H3,(H2,25,26,30)/t13-,14-,20+/m0/s1" ; chebi:inchikey "RYHWAKGNXXOPFN-PJSUUKDQSA-N" ; chebi:mass "459.540" ; chebi:monoisotopicmass "459.24817" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102539" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_10254 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28459 ; owl:deprecated true . obo:CHEBI_102540 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F3N5O5" ; chebi:inchi "InChI=1S/C25H32F3N5O5/c1-32-11-18(30-15-32)8-9-29-23(35)10-20-6-7-21-22(38-20)14-37-13-19(34)12-33(21)24(36)31-17-4-2-16(3-5-17)25(26,27)28/h2-5,11,15,19-22,34H,6-10,12-14H2,1H3,(H,29,35)(H,31,36)/t19-,20+,21+,22-/m1/s1" ; chebi:inchikey "TWGHTEGHSVIJBR-CLAROIROSA-N" ; chebi:mass "539.548" ; chebi:monoisotopicmass "539.23555" ; chebi:smiles "CN1C=C(N=C1)CCNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)C(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102540" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8S,10aS)-3-hydroxy-8-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102541 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30FN3O6S" ; chebi:inchi "InChI=1S/C25H30FN3O6S/c1-3-36(32,33)28-17-8-11-22-19(12-17)25(31)29(2)21-10-9-18(35-23(21)15-34-22)13-24(30)27-14-16-6-4-5-7-20(16)26/h4-8,11-12,18,21,23,28H,3,9-10,13-15H2,1-2H3,(H,27,30)/t18-,21+,23+/m1/s1" ; chebi:inchikey "MAZJZTZSELFTOO-JZWVFAODSA-N" ; chebi:mass "519.588" ; chebi:monoisotopicmass "519.18394" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102541" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_102542 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C20H19N3O2" ; chebi:inchi "InChI=1S/C20H19N3O2/c1-2-4-14-6-8-15(9-7-14)19-17(11-21)23(18(19)13-24)20(25)16-5-3-10-22-12-16/h2-10,12,17-19,24H,13H2,1H3/t17-,18-,19+/m0/s1" ; chebi:inchikey "SONVGTXFTWWDQR-GBESFXJTSA-N" ; chebi:mass "333.385" ; chebi:monoisotopicmass "333.14773" ; chebi:smiles "CC=CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)C(=O)C3=CN=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102542" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13889" . obo:CHEBI_102543 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H36F3N3O4" ; chebi:inchi "InChI=1S/C30H36F3N3O4/c1-19-15-36(20(2)17-37)29(39)28-27(23-11-7-8-12-24(23)35(28)4)22-10-6-5-9-21(22)18-40-25(19)16-34(3)26(38)13-14-30(31,32)33/h5-12,19-20,25,37H,13-18H2,1-4H3/t19-,20+,25+/m0/s1" ; chebi:inchikey "RDYUFLZMPZQAJV-WZOHSFFVSA-N" ; chebi:mass "559.621" ; chebi:monoisotopicmass "559.26579" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102543" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13890" . obo:CHEBI_102544 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-3-40(36,37)31-21-9-12-26-24(15-21)29(35)32(2)25-11-10-23(39-27(25)19-38-26)16-28(34)30-22-13-14-33(18-22)17-20-7-5-4-6-8-20/h4-9,12,15,22-23,25,27,31H,3,10-11,13-14,16-19H2,1-2H3,(H,30,34)/t22-,23+,25+,27-/m0/s1" ; chebi:inchikey "IJWLFSVDDGQQHF-UUNMANHLSA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102544" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_102545 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20+,21+,22+/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-GKADJBRLSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102545" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13892" . obo:CHEBI_102546 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H34N4O6S" ; chebi:inchi "InChI=1S/C30H34N4O6S/c1-20-3-7-24(8-4-20)41(37,38)33-22-5-10-27-25(17-22)30(36)34(2)26-9-6-23(40-28(26)19-39-27)18-29(35)32-16-13-21-11-14-31-15-12-21/h3-5,7-8,10-12,14-15,17,23,26,28,33H,6,9,13,16,18-19H2,1-2H3,(H,32,35)/t23-,26-,28+/m0/s1" ; chebi:inchikey "KPGMTKVYFCJESC-PAUTXSKSSA-N" ; chebi:mass "578.681" ; chebi:monoisotopicmass "578.21991" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@H](O4)CC(=O)NCCC5=CC=NC=C5)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102546" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102547 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H28FN5O3" ; chebi:inchi "InChI=1S/C27H28FN5O3/c28-18-5-3-17(4-6-18)20-7-8-23-24-21(13-32(23)27(20)36)22(14-34)25(33(24)12-16-1-2-16)26(35)30-11-19-9-10-29-15-31-19/h3-10,15-16,21-22,24-25,34H,1-2,11-14H2,(H,30,35)/t21-,22-,24+,25-/m0/s1" ; chebi:inchikey "URDKMROJZUNSLX-HFOXQMJASA-N" ; chebi:mass "489.542" ; chebi:monoisotopicmass "489.21762" ; chebi:smiles "C1CC1CN2[C@@H]3[C@@H](CN4C3=CC=C(C4=O)C5=CC=C(C=C5)F)[C@@H]([C@H]2C(=O)NCC6=NC=NC=C6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102547" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-(cyclopropylmethyl)-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-N-(4-pyrimidinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102548 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21-,24+,26+,28-/m1/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-RXYIMMQSSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102548" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102549 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C33H34N4O5S" ; chebi:inchi "InChI=1S/C33H34N4O5S/c1-33(2,3)43(40)37-19-25-17-26(32(39)35-18-21-7-8-28-29(15-21)42-20-41-28)36-31(30(25)27(37)11-14-38)24-6-4-5-23(16-24)22-9-12-34-13-10-22/h4-10,12-13,15-17,27,38H,11,14,18-20H2,1-3H3,(H,35,39)/t27-,43-/m0/s1" ; chebi:inchikey "OLAATLBQFXJPIK-AMDSOUHQSA-N" ; chebi:mass "598.714" ; chebi:monoisotopicmass "598.22499" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102549" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10255 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16326 ; owl:deprecated true . obo:CHEBI_102550 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F5N3O3" ; chebi:inchi "InChI=1S/C25H32F5N3O3/c1-16(23(36-4)14-32(3)13-18-11-20(26)7-10-22(18)27)12-33(17(2)15-34)24(35)31-21-8-5-19(6-9-21)25(28,29)30/h5-11,16-17,23,34H,12-15H2,1-4H3,(H,31,35)/t16-,17+,23-/m0/s1" ; chebi:inchikey "JTIGHJUHEGWKGG-MFEFFIJZSA-N" ; chebi:mass "517.533" ; chebi:monoisotopicmass "517.23638" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102550" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_102551 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35ClN4O5" ; chebi:inchi "InChI=1S/C27H35ClN4O5/c1-6-25(33)32-14-17(2)24(36-5)15-31(4)26(34)22-12-11-21(13-23(22)37-16-18(32)3)30-27(35)29-20-9-7-19(28)8-10-20/h7-13,17-18,24H,6,14-16H2,1-5H3,(H2,29,30,35)/t17-,18+,24+/m0/s1" ; chebi:inchikey "FPIGUEAYUNMTQH-HOOSLVGPSA-N" ; chebi:mass "531.045" ; chebi:monoisotopicmass "530.22960" ; chebi:smiles "CCC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102551" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-chlorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102552 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H37N3O4S" ; chebi:inchi "InChI=1S/C27H37N3O4S/c31-22-16-30(17-26-28-10-13-35-26)24-7-6-23(34-25(24)19-33-18-22)15-27(32)29-11-8-21(9-12-29)14-20-4-2-1-3-5-20/h1-5,10,13,21-25,31H,6-9,11-12,14-19H2/t22-,23-,24-,25+/m0/s1" ; chebi:inchikey "XKLJDQDBSRSGED-OJJQZRKESA-N" ; chebi:mass "499.667" ; chebi:monoisotopicmass "499.25048" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=NC=CS3)O)O[C@@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102552" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone" . obo:CHEBI_102553 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H29N3O6S" ; chebi:inchi "InChI=1S/C22H29N3O6S/c1-30-20-10-6-5-9-18(20)24-22(27)25-19-12-11-16(31-21(19)15-26)13-14-23-32(28,29)17-7-3-2-4-8-17/h2-10,16,19,21,23,26H,11-15H2,1H3,(H2,24,25,27)/t16-,19+,21+/m0/s1" ; chebi:inchikey "XDPGLRIFEVLTPI-LDQXTDLNSA-N" ; chebi:mass "463.549" ; chebi:monoisotopicmass "463.17771" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102553" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_102554 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H27N3O7" ; chebi:inchi "InChI=1S/C28H27N3O7/c32-14-25-27-21(11-19(37-25)12-26(33)30-13-18-3-1-2-8-29-18)20-10-17(5-7-22(20)38-27)31-28(34)16-4-6-23-24(9-16)36-15-35-23/h1-10,19,21,25,27,32H,11-15H2,(H,30,33)(H,31,34)/t19-,21+,25-,27-/m0/s1" ; chebi:inchikey "FEEKZGTVSGSFLP-OSHLHTJISA-N" ; chebi:mass "517.531" ; chebi:monoisotopicmass "517.18490" ; chebi:smiles "C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=CC=N6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102554" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102555 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H31N3O5" ; chebi:inchi "InChI=1S/C21H31N3O5/c1-28-16-7-5-6-15(12-16)22-21(27)23-18-9-8-17(29-19(18)14-25)13-20(26)24-10-3-2-4-11-24/h5-7,12,17-19,25H,2-4,8-11,13-14H2,1H3,(H2,22,23,27)/t17-,18-,19-/m0/s1" ; chebi:inchikey "LPRUTVLBIHKZIS-FHWLQOOXSA-N" ; chebi:mass "405.489" ; chebi:monoisotopicmass "405.22637" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102555" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea" . obo:CHEBI_102556 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H28N4O5" ; chebi:inchi "InChI=1S/C27H28N4O5/c1-36-16-23(33)31-22-14-30-21(11-10-19(27(30)35)17-7-3-2-4-8-17)25(31)24(20(22)15-32)26(34)29-13-18-9-5-6-12-28-18/h2-12,20,22,24-25,32H,13-16H2,1H3,(H,29,34)/t20-,22-,24+,25+/m0/s1" ; chebi:inchikey "YNLXOCAZEKAELA-MMTHZHQFSA-N" ; chebi:mass "488.536" ; chebi:monoisotopicmass "488.20597" ; chebi:smiles "COCC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102556" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13903" . obo:CHEBI_102557 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H29FN4O3" ; chebi:inchi "InChI=1S/C28H29FN4O3/c29-22-6-2-1-5-19(22)20-9-10-23-26-25(27(35)31-13-17-7-8-17)21(16-34)24(15-33(23)28(20)36)32(26)14-18-4-3-11-30-12-18/h1-6,9-12,17,21,24-26,34H,7-8,13-16H2,(H,31,35)/t21-,24-,25+,26+/m0/s1" ; chebi:inchikey "PGXATXJTQODNDY-DTGGKOQTSA-N" ; chebi:mass "488.554" ; chebi:monoisotopicmass "488.22237" ; chebi:smiles "C1CC1CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@H]2N3CC6=CN=CC=C6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102557" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13904" . obo:CHEBI_102558 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H35F3N2O4" ; chebi:inchi "InChI=1S/C21H35F3N2O4/c22-21(23,24)8-9-26-12-16(27)13-29-14-19-18(26)7-6-17(30-19)10-20(28)25-11-15-4-2-1-3-5-15/h15-19,27H,1-14H2,(H,25,28)/t16-,17-,18-,19+/m0/s1" ; chebi:inchikey "LOZCXWBJFMLABO-CADBVGFASA-N" ; chebi:mass "436.510" ; chebi:monoisotopicmass "436.25489" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CCC(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102558" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_102559 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H30N4O4S" ; chebi:inchi "InChI=1S/C19H30N4O4S/c24-13-16-15(21-17(25)6-10-23-8-2-1-3-9-23)5-4-14(27-16)12-18(26)22-19-20-7-11-28-19/h7,11,14-16,24H,1-6,8-10,12-13H2,(H,21,25)(H,20,22,26)/t14-,15-,16+/m1/s1" ; chebi:inchikey "IZCYNDJXNVTGPG-OAGGEKHMSA-N" ; chebi:mass "410.533" ; chebi:monoisotopicmass "410.19878" ; chebi:smiles "C1CCN(CC1)CCC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)NC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102559" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_102560 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H28N2O6S" ; chebi:inchi "InChI=1S/C19H28N2O6S/c1-28(24,25)21-11-15(22)12-26-13-18-17(21)8-7-16(27-18)9-19(23)20-10-14-5-3-2-4-6-14/h2-6,15-18,22H,7-13H2,1H3,(H,20,23)/t15-,16+,17-,18+/m0/s1" ; chebi:inchikey "CRYMYAPOZVNFQJ-XWTMOSNGSA-N" ; chebi:mass "412.502" ; chebi:monoisotopicmass "412.16681" ; chebi:smiles "CS(=O)(=O)N1C[C@@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)NCC3=CC=CC=C3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102560" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide" . obo:CHEBI_102561 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19-,20+/m0/s1" ; chebi:inchikey "YSDDRAAKFDNITG-MVJPYGJCSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102561" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_102562 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H28N2O8" ; chebi:inchi "InChI=1S/C25H28N2O8/c1-31-12-24(30)27-15-3-5-19-17(7-15)18-8-16(34-22(11-28)25(18)35-19)9-23(29)26-10-14-2-4-20-21(6-14)33-13-32-20/h2-7,16,18,22,25,28H,8-13H2,1H3,(H,26,29)(H,27,30)/t16-,18+,22-,25-/m1/s1" ; chebi:inchikey "ZGEAGHWTKPKCOK-ZIGQSTSDSA-N" ; chebi:mass "484.499" ; chebi:monoisotopicmass "484.18457" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102562" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102563 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H15FN2O3S" ; chebi:inchi "InChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(22,23)20-15(10-19)17(16(20)11-21)12-4-2-1-3-5-12/h1-9,15-17,21H,11H2/t15-,16-,17+/m0/s1" ; chebi:inchikey "LIAUQGYQVCFFMZ-YESZJQIVSA-N" ; chebi:mass "346.378" ; chebi:monoisotopicmass "346.07874" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)S(=O)(=O)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102563" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_102564 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C26H31N3O5S" ; chebi:inchi "InChI=1S/C26H31N3O5S/c1-28-20-9-8-18(15-24(30)29-11-3-2-4-12-29)34-22(20)16-33-21-10-7-17(14-19(21)26(28)32)27-25(31)23-6-5-13-35-23/h5-7,10,13-14,18,20,22H,2-4,8-9,11-12,15-16H2,1H3,(H,27,31)/t18-,20+,22+/m1/s1" ; chebi:inchikey "IFOOEWPAOUEVPY-CBQOVEMMSA-N" ; chebi:mass "497.609" ; chebi:monoisotopicmass "497.19844" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102564" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide" . obo:CHEBI_102565 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29FN4O5S" ; chebi:inchi "InChI=1S/C21H29FN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16+,20-/m0/s1" ; chebi:inchikey "DJBLUNZOFTWTAE-YRNRMSPPSA-N" ; chebi:mass "468.544" ; chebi:monoisotopicmass "468.18427" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102565" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_102566 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H27N3O6" ; chebi:inchi "InChI=1S/C24H27N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-11,15,18-19,22,28H,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18+,19+,22-/m1/s1" ; chebi:inchikey "UDMIDSQAUXVXMN-JHGBEIFQSA-N" ; chebi:mass "453.489" ; chebi:monoisotopicmass "453.18999" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102566" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102567 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O7S" ; chebi:inchi "InChI=1S/C22H25ClN2O7S/c23-15-2-5-17(6-3-15)33(28,29)25-18-7-4-16(32-21(18)12-26)9-10-24-22(27)14-1-8-19-20(11-14)31-13-30-19/h1-3,5-6,8,11,16,18,21,25-26H,4,7,9-10,12-13H2,(H,24,27)/t16-,18+,21-/m0/s1" ; chebi:inchikey "WVRHSCPXBJSNMQ-CDXJDZJCSA-N" ; chebi:mass "496.963" ; chebi:monoisotopicmass "496.10710" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CCNC(=O)C2=CC3=C(C=C2)OCO3)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102567" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102568 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O6" ; chebi:inchi "InChI=1S/C28H34F3N3O6/c1-17-13-34(10-9-28(29,30)31)18(2)15-38-23-12-20(6-7-21(23)27(36)33(3)14-25(17)37-4)32-26(35)19-5-8-22-24(11-19)40-16-39-22/h5-8,11-12,17-18,25H,9-10,13-16H2,1-4H3,(H,32,35)/t17-,18+,25-/m1/s1" ; chebi:inchikey "RXVPCSLMNQSOJP-FUMQJTLXSA-N" ; chebi:mass "565.582" ; chebi:monoisotopicmass "565.23997" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102568" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102569 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H23N3O4S" ; chebi:inchi "InChI=1S/C21H23N3O4S/c1-23(2)21(26)17-10-6-15(7-11-17)14-4-8-16(9-5-14)20-18(12-22)24(19(20)13-25)29(3,27)28/h4-11,18-20,25H,13H2,1-3H3/t18-,19-,20+/m0/s1" ; chebi:inchikey "DINYZOMRIFESDL-SLFFLAALSA-N" ; chebi:mass "413.492" ; chebi:monoisotopicmass "413.14093" ; chebi:smiles "CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)S(=O)(=O)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102569" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[4-[(2R,3R,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_10257 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28543 ; owl:deprecated true . obo:CHEBI_102570 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H34N2O7S" ; chebi:inchi "InChI=1S/C25H34N2O7S/c1-17-6-9-21(10-7-17)35(30,31)27(19(3)15-28)13-18(2)24(32-5)14-26(4)25(29)20-8-11-22-23(12-20)34-16-33-22/h6-12,18-19,24,28H,13-16H2,1-5H3/t18-,19-,24-/m1/s1" ; chebi:inchikey "XFQUVXMASIHRAZ-KHCICDEESA-N" ; chebi:mass "506.614" ; chebi:monoisotopicmass "506.20867" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102570" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102571 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O6S" ; chebi:inchi "InChI=1S/C24H37N3O6S/c1-16-13-27(34(5,30)31)17(2)15-33-21-12-19(25-23(28)18-8-6-7-9-18)10-11-20(21)24(29)26(3)14-22(16)32-4/h10-12,16-18,22H,6-9,13-15H2,1-5H3,(H,25,28)/t16-,17+,22-/m1/s1" ; chebi:inchikey "LHVPUDAVHZTECS-HYFFOGBASA-N" ; chebi:mass "495.634" ; chebi:monoisotopicmass "495.24031" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102571" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_102572 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20-,21-,22+/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-QKTCQZCWSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102572" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13919" . obo:CHEBI_102573 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H40N4O5" ; chebi:inchi "InChI=1S/C25H40N4O5/c1-7-9-23(30)27-19-10-11-21-20(13-19)24(31)28(5)15-22(33-6)17(3)14-29(18(4)16-34-21)25(32)26-12-8-2/h10-11,13,17-18,22H,7-9,12,14-16H2,1-6H3,(H,26,32)(H,27,30)/t17-,18-,22-/m1/s1" ; chebi:inchikey "RUFIKNIWNRYTLQ-JBYIUTFZSA-N" ; chebi:mass "476.610" ; chebi:monoisotopicmass "476.29987" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)NCCC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102573" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_102574 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H26F3N3O3" ; chebi:inchi "InChI=1S/C23H26F3N3O3/c1-14(15-6-3-2-4-7-15)27-22(32)20-16(13-30)18-12-29-17(8-5-9-19(29)31)21(20)28(18)11-10-23(24,25)26/h2-9,14,16,18,20-21,30H,10-13H2,1H3,(H,27,32)/t14-,16+,18+,20-,21-/m0/s1" ; chebi:inchikey "LOVSINJIWNBKBE-SJRSHZEHSA-N" ; chebi:mass "449.467" ; chebi:monoisotopicmass "449.19263" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3CCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102574" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13921" . obo:CHEBI_102575 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N6O3" ; chebi:inchi "InChI=1S/C20H30N6O3/c1-25(2)12-16-13-26(24-23-16)9-7-17-5-6-18(19(14-27)29-17)22-20(28)10-15-4-3-8-21-11-15/h3-4,8,11,13,17-19,27H,5-7,9-10,12,14H2,1-2H3,(H,22,28)/t17-,18+,19+/m1/s1" ; chebi:inchikey "NKPFHNDONDWVBL-QYZOEREBSA-N" ; chebi:mass "402.491" ; chebi:monoisotopicmass "402.23794" ; chebi:smiles "CN(C)CC1=CN(N=N1)CC[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102575" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_102576 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)12-25-11-16)9-20(24)22-15-7-13-3-1-2-4-14(13)8-15/h1-4,15-19,21,23H,5-12H2,(H,22,24)/t16-,17-,18-,19+/m1/s1" ; chebi:inchikey "VINMFOKKSKWMTO-MKXGPGLRSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@H]1CC(=O)NC3CC4=CC=CC=C4C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102576" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_102577 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O4" ; chebi:inchi "InChI=1S/C28H40N4O4/c1-19(2)29-28(34)30-23-12-13-25-24(14-23)27(33)31(5)17-26(35-6)20(3)15-32(21(4)18-36-25)16-22-10-8-7-9-11-22/h7-14,19-21,26H,15-18H2,1-6H3,(H2,29,30,34)/t20-,21+,26-/m1/s1" ; chebi:inchikey "XLOJZIOISXYGBL-YZIHRLCOSA-N" ; chebi:mass "496.643" ; chebi:monoisotopicmass "496.30496" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102577" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_102578 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C18H18FN3O4S" ; chebi:inchi "InChI=1S/C18H18FN3O4S/c19-12-3-1-2-11(8-12)17(25)21-14-5-4-13(26-15(14)10-23)9-16(24)22-18-20-6-7-27-18/h1-8,13-15,23H,9-10H2,(H,21,25)(H,20,22,24)/t13-,14+,15-/m0/s1" ; chebi:inchikey "UCAVQNBXNWPRQF-ZNMIVQPWSA-N" ; chebi:mass "391.418" ; chebi:monoisotopicmass "391.10021" ; chebi:smiles "C1=CC(=CC(=C1)F)C(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102578" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_102579 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-18-13-30(14-21-8-6-7-11-27-21)19(2)16-35-23-10-9-20(28-25(31)17-33-4)12-22(23)26(32)29(3)15-24(18)34-5/h6-12,18-19,24H,13-17H2,1-5H3,(H,28,31)/t18-,19+,24+/m1/s1" ; chebi:inchikey "FQDNKYOBJJPTQR-IMWIBFENSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102579" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10258 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28539 ; owl:deprecated true . obo:CHEBI_102580 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C16H28N2O5" ; chebi:inchi "InChI=1S/C16H28N2O5/c1-18(2)15(20)9-12-3-4-13(14(10-19)23-12)17-16(21)11-5-7-22-8-6-11/h11-14,19H,3-10H2,1-2H3,(H,17,21)/t12-,13+,14-/m1/s1" ; chebi:inchikey "WYRQMVCVXSYSKJ-HZSPNIEDSA-N" ; chebi:mass "328.405" ; chebi:monoisotopicmass "328.19982" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@@H]([C@H](O1)CO)NC(=O)C2CCOCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102580" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide" . obo:CHEBI_102581 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C24H20F2N4O5" ; chebi:inchi "InChI=1S/C24H20F2N4O5/c25-13-3-5-16(26)17(8-13)28-24(35)30-19-10-29-18(21(30)20(23(33)34)15(19)11-31)6-4-14(22(29)32)12-2-1-7-27-9-12/h1-9,15,19-21,31H,10-11H2,(H,28,35)(H,33,34)/t15-,19-,20+,21+/m1/s1" ; chebi:inchikey "VFFJPMQBAVMOHZ-IDCXYZFESA-N" ; chebi:mass "482.437" ; chebi:monoisotopicmass "482.14018" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2C(=O)NC3=C(C=CC(=C3)F)F)C4=CC=C(C(=O)N41)C5=CN=CC=C5)C(=O)O)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102581" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13928" . obo:CHEBI_102582 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-30-21-10-9-19(13-24(31)27-14-16-6-7-16)35-23(21)15-34-22-11-8-18(12-20(22)25(30)32)29-26(33)28-17-4-2-3-5-17/h8,11-12,16-17,19,21,23H,2-7,9-10,13-15H2,1H3,(H,27,31)(H2,28,29,33)/t19-,21+,23+/m0/s1" ; chebi:inchikey "OPKRVFTXMKZUJR-XKCSPQBFSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4CCCC4)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102582" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_102583 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H26N2O3S" ; chebi:inchi "InChI=1S/C21H26N2O3S/c1-2-27(25,26)23-19(14-22)21(20(23)15-24)18-12-10-17(11-13-18)9-5-8-16-6-3-4-7-16/h10-13,16,19-21,24H,2-4,6-8,15H2,1H3/t19-,20+,21+/m1/s1" ; chebi:inchikey "FMUUBOBUXMLTIS-HKBOAZHASA-N" ; chebi:mass "386.510" ; chebi:monoisotopicmass "386.16641" ; chebi:smiles "CCS(=O)(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CCC3CCCC3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102583" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-1-ethylsulfonyl-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102584 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30N2O7S" ; chebi:inchi "InChI=1S/C25H30N2O7S/c1-32-17-5-7-19(8-6-17)35(30,31)27-16-4-9-22-20(10-16)21-11-18(33-23(14-28)25(21)34-22)12-24(29)26-13-15-2-3-15/h4-10,15,18,21,23,25,27-28H,2-3,11-14H2,1H3,(H,26,29)/t18-,21-,23-,25+/m0/s1" ; chebi:inchikey "UYFCGOQSYKFWAJ-KRAAZVCLSA-N" ; chebi:mass "502.582" ; chebi:monoisotopicmass "502.17737" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102584" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_102585 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O6S" ; chebi:inchi "InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18-,20-,22+/m0/s1" ; chebi:inchikey "LWPDCVYPXSZOFH-JXYHXMIBSA-N" ; chebi:mass "480.964" ; chebi:monoisotopicmass "480.11219" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102585" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_102586 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C21H29N3O4" ; chebi:inchi "InChI=1S/C21H29N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-8,13,16-19,25H,9-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18+,19+/m1/s1" ; chebi:inchikey "PBTCYEHOLZFKGG-QYZOEREBSA-N" ; chebi:mass "387.473" ; chebi:monoisotopicmass "387.21581" ; chebi:smiles "CC(C)NC(=O)N[C@H]1C=C[C@@H](O[C@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102586" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102587 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30F2N2O5S" ; chebi:inchi "InChI=1S/C23H30F2N2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17-,22+/m1/s1" ; chebi:inchikey "PIEMZAFCKVBYBS-YVHKJVDXSA-N" ; chebi:mass "484.558" ; chebi:monoisotopicmass "484.18435" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102587" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_102588 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H28N4O3" ; chebi:inchi "InChI=1S/C30H28N4O3/c35-19-24-26-18-33-25(7-4-8-27(33)36)29(34(26)17-20-13-15-31-16-14-20)28(24)30(37)32-23-11-9-22(10-12-23)21-5-2-1-3-6-21/h1-16,24,26,28-29,35H,17-19H2,(H,32,37)/t24-,26-,28+,29+/m0/s1" ; chebi:inchikey "QNNNGHWPHFGBDZ-QNEBNACWSA-N" ; chebi:mass "492.569" ; chebi:monoisotopicmass "492.21614" ; chebi:smiles "C1[C@H]2[C@@H]([C@H]([C@H](N2CC3=CC=NC=C3)C4=CC=CC(=O)N41)C(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102588" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13935" . obo:CHEBI_102589 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H37N3O4S" ; chebi:inchi "InChI=1S/C27H37N3O4S/c31-22-16-30(17-26-28-10-13-35-26)24-7-6-23(34-25(24)19-33-18-22)15-27(32)29-11-8-21(9-12-29)14-20-4-2-1-3-5-20/h1-5,10,13,21-25,31H,6-9,11-12,14-19H2/t22-,23+,24-,25+/m0/s1" ; chebi:inchikey "XKLJDQDBSRSGED-FQUZAXHOSA-N" ; chebi:mass "499.667" ; chebi:monoisotopicmass "499.25048" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102589" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone" . obo:CHEBI_10259 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28657 ; owl:deprecated true . obo:CHEBI_102590 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H34N6O4S" ; chebi:inchi "InChI=1S/C30H34N6O4S/c1-19-14-36(15-21-12-31-18-32-13-21)20(2)17-40-25-10-9-22(11-23(25)30(38)35(3)16-26(19)39-4)33-28(37)29-34-24-7-5-6-8-27(24)41-29/h5-13,18-20,26H,14-17H2,1-4H3,(H,33,37)/t19-,20+,26+/m0/s1" ; chebi:inchikey "AMMFZKQUXZGGMQ-OUDXUNEISA-N" ; chebi:mass "574.696" ; chebi:monoisotopicmass "574.23622" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@H]1OC)C)C)CC5=CN=CN=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102590" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_102591 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H30FN3O4S2" ; chebi:inchi "InChI=1S/C20H30FN3O4S2/c1-15(19(28-4)12-23(3)13-20-22-9-10-29-20)11-24(16(2)14-25)30(26,27)18-7-5-17(21)6-8-18/h5-10,15-16,19,25H,11-14H2,1-4H3/t15-,16-,19-/m0/s1" ; chebi:inchikey "HDBUQVYPKWOJFH-BXWFABGCSA-N" ; chebi:mass "459.601" ; chebi:monoisotopicmass "459.16618" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)CC2=NC=CS2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102591" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide" . obo:CHEBI_102592 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H33FN4O5" ; chebi:inchi "InChI=1S/C26H33FN4O5/c1-16-13-31(18(3)32)17(2)15-36-23-12-21(29-26(34)28-20-8-6-7-19(27)11-20)9-10-22(23)25(33)30(4)14-24(16)35-5/h6-12,16-17,24H,13-15H2,1-5H3,(H2,28,29,34)/t16-,17-,24-/m1/s1" ; chebi:inchikey "MGTDWSJKTZULMI-HOZJOUCCSA-N" ; chebi:mass "500.563" ; chebi:monoisotopicmass "500.24350" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102592" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_102593 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c1-28(2)24(32)16-5-3-4-15(10-16)17-8-9-20-21-18(12-29(20)25(17)33)19(13-30)22(27-21)23(31)26-11-14-6-7-14/h3-5,8-10,14,18-19,21-22,27,30H,6-7,11-13H2,1-2H3,(H,26,31)/t18-,19-,21+,22-/m0/s1" ; chebi:inchikey "BQHFMDKBCXXEDN-MPJJRAAHSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4)C(=O)NCC5CC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102593" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-[3-[dimethylamino(oxo)methyl]phenyl]-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102594 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H41N3O5" ; chebi:inchi "InChI=1S/C27H41N3O5/c1-18-14-30(15-20-5-6-20)19(2)17-35-24-8-7-22(28-26(31)21-9-11-34-12-10-21)13-23(24)27(32)29(3)16-25(18)33-4/h7-8,13,18-21,25H,5-6,9-12,14-17H2,1-4H3,(H,28,31)/t18-,19-,25-/m1/s1" ; chebi:inchikey "WQZORWGHLUMPIH-MPCDZSKCSA-N" ; chebi:mass "487.633" ; chebi:monoisotopicmass "487.30462" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102594" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_102595 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H36N4O6" ; chebi:inchi "InChI=1S/C29H36N4O6/c1-33-24-4-3-22(17-27(34)31-13-8-19-6-11-30-12-7-19)39-26(24)18-38-25-5-2-21(16-23(25)29(33)36)32-28(35)20-9-14-37-15-10-20/h2,5-7,11-12,16,20,22,24,26H,3-4,8-10,13-15,17-18H2,1H3,(H,31,34)(H,32,35)/t22-,24+,26+/m1/s1" ; chebi:inchikey "XUZKWORPTAYLRR-CWDLOFLHSA-N" ; chebi:mass "536.620" ; chebi:monoisotopicmass "536.26348" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102595" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102596 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C18H27N3O4" ; chebi:inchi "InChI=1S/C18H27N3O4/c22-14-10-21-16-2-1-15(25-17(16)12-24-11-14)9-18(23)20-8-5-13-3-6-19-7-4-13/h3-4,6-7,14-17,21-22H,1-2,5,8-12H2,(H,20,23)/t14-,15-,16+,17-/m0/s1" ; chebi:inchikey "RNNHPDFMCSWFHC-NXOAAHMSSA-N" ; chebi:mass "349.425" ; chebi:monoisotopicmass "349.20016" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102596" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102597 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_29348 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O4" ; chebi:inchi "InChI=1S/C27H33F3N2O4/c1-18-14-32(19(2)16-33)26(35)23-11-7-6-10-22(23)21-9-5-4-8-20(21)17-36-24(18)15-31(3)25(34)12-13-27(28,29)30/h4-11,18-19,24,33H,12-17H2,1-3H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "VGVIGMMHZQAXDN-YDIMBITNSA-N" ; chebi:mass "506.558" ; chebi:monoisotopicmass "506.23924" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102597" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13944" . obo:CHEBI_102598 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H26ClN3O4" ; chebi:inchi "InChI=1S/C23H26ClN3O4/c24-16-4-1-3-15(11-16)12-27-19-13-26-18(5-2-6-20(26)29)22(27)21(17(19)14-28)23(30)25-7-9-31-10-8-25/h1-6,11,17,19,21-22,28H,7-10,12-14H2/t17-,19-,21+,22+/m0/s1" ; chebi:inchikey "JHNJYMNWNCZPKL-HVJHZFLKSA-N" ; chebi:mass "443.924" ; chebi:monoisotopicmass "443.16118" ; chebi:smiles "C1COCCN1C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3CC5=CC(=CC=C5)Cl)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102598" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13945" . obo:CHEBI_102599 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H23ClN2O6" ; chebi:inchi "InChI=1S/C23H23ClN2O6/c1-26-18-8-7-16(11-21(27)28)32-20(18)12-31-19-9-6-15(10-17(19)23(26)30)25-22(29)13-2-4-14(24)5-3-13/h2-6,9-10,16,18,20H,7-8,11-12H2,1H3,(H,25,29)(H,27,28)/t16-,18+,20-/m0/s1" ; chebi:inchikey "SDVZNQMNQVCLRJ-HQRMLTQVSA-N" ; chebi:mass "458.892" ; chebi:monoisotopicmass "458.12446" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102599" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_1026 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22512 ; chebi:charge "0" ; chebi:formula "C8H9N5" ; chebi:inchi "InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,12,13)" ; chebi:inchikey "JJWCTKUQWXYIIU-UHFFFAOYSA-N" ; chebi:mass "175.191" ; chebi:monoisotopicmass "175.08580" ; chebi:smiles "NC(=N)Nc1nc2ccccc2[nH]1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:1026" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-Benzimidazolylguanidine" . obo:CHEBI_10260 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28729 ; owl:deprecated true . obo:CHEBI_102600 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H36F3N3O4" ; chebi:inchi "InChI=1S/C30H36F3N3O4/c1-19-15-36(20(2)17-37)29(39)28-27(23-11-7-8-12-24(23)35(28)4)22-10-6-5-9-21(22)18-40-25(19)16-34(3)26(38)13-14-30(31,32)33/h5-12,19-20,25,37H,13-18H2,1-4H3/t19-,20-,25-/m0/s1" ; chebi:inchikey "RDYUFLZMPZQAJV-RLSLOFABSA-N" ; chebi:mass "559.621" ; chebi:monoisotopicmass "559.26579" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCC(F)(F)F)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102600" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13947" . obo:CHEBI_102601 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H28N2O6" ; chebi:inchi "InChI=1S/C24H28N2O6/c1-26(2)15-4-6-19-17(8-15)18-9-16(31-22(12-27)24(18)32-19)10-23(28)25-11-14-3-5-20-21(7-14)30-13-29-20/h3-8,16,18,22,24,27H,9-13H2,1-2H3,(H,25,28)/t16-,18-,22-,24+/m0/s1" ; chebi:inchikey "XORJDKZTELKQNH-GODDJFOZSA-N" ; chebi:mass "440.490" ; chebi:monoisotopicmass "440.19474" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102601" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102602 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-24-5-3-2-4-17(24)15-30-27(33)14-20-13-23-22-12-19(8-11-25(22)38-28(23)26(16-32)37-20)31-39(34,35)21-9-6-18(29)7-10-21/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23+,26+,28-/m1/s1" ; chebi:inchikey "CRNISVWSFUFTQR-BYAUNOKSSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102602" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_102603 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H30N2O5" ; chebi:inchi "InChI=1S/C23H30N2O5/c26-12-20-23-18(9-16(29-20)10-21(27)24-11-14-3-4-14)17-8-15(5-6-19(17)30-23)25-22(28)7-13-1-2-13/h5-6,8,13-14,16,18,20,23,26H,1-4,7,9-12H2,(H,24,27)(H,25,28)/t16-,18-,20-,23+/m1/s1" ; chebi:inchikey "WARQVQDGSWZACN-WVVHNUNQSA-N" ; chebi:mass "414.496" ; chebi:monoisotopicmass "414.21547" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102603" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_102604 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C34H43N3O4" ; chebi:inchi "InChI=1S/C34H43N3O4/c1-24-20-37(25(2)22-38)33(39)30-18-12-11-17-29(30)28-16-10-9-15-27(28)23-41-32(24)21-36(5)34(40)31(35(3)4)19-26-13-7-6-8-14-26/h6-18,24-25,31-32,38H,19-23H2,1-5H3/t24-,25+,31-,32-/m0/s1" ; chebi:inchikey "ZQFGNRPCSITOFH-GLGRRZRYSA-N" ; chebi:mass "557.724" ; chebi:monoisotopicmass "557.32536" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102604" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13951" . obo:CHEBI_102605 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C16H21NO7S" ; chebi:inchi "InChI=1S/C16H21NO7S/c1-22-15(19)7-10-6-12-11-5-9(17-25(2,20)21)3-4-13(11)24-16(12)14(8-18)23-10/h3-5,10,12,14,16-18H,6-8H2,1-2H3/t10-,12-,14-,16+/m1/s1" ; chebi:inchikey "STSQWNRYWIJNCW-AEKOTVAKSA-N" ; chebi:mass "371.407" ; chebi:monoisotopicmass "371.10387" ; chebi:smiles "COC(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102605" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102606 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C35H44N4O4S" ; chebi:inchi "InChI=1S/C35H44N4O4S/c1-35(2,3)44(43)39-22-27-21-29(33(41)36-28-12-7-6-8-13-28)37-32(31(27)30(39)18-19-40)26-11-9-10-25(20-26)23-14-16-24(17-15-23)34(42)38(4)5/h9-11,14-17,20-21,28,30,40H,6-8,12-13,18-19,22H2,1-5H3,(H,36,41)/t30-,44-/m0/s1" ; chebi:inchikey "BMIDXELBLGAQFU-PDWOKFFSSA-N" ; chebi:mass "616.816" ; chebi:monoisotopicmass "616.30833" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102606" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102607 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H28F2N4O5" ; chebi:inchi "InChI=1S/C23H28F2N4O5/c1-33-16-5-3-15(4-6-16)27-23(32)28-19-9-7-17(34-21(19)13-30)10-11-26-22(31)29-20-12-14(24)2-8-18(20)25/h2-6,8,12,17,19,21,30H,7,9-11,13H2,1H3,(H2,26,29,31)(H2,27,28,32)/t17-,19-,21+/m1/s1" ; chebi:inchikey "CXRYDROHJOKZNG-QFUCXCTJSA-N" ; chebi:mass "478.490" ; chebi:monoisotopicmass "478.20278" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CCNC(=O)NC3=C(C=CC(=C3)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102607" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_102608 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29-8-10-30(11-9-29)25(33)15-19-14-21-20-13-18(28-24(32)12-17-4-6-27-7-5-17)2-3-22(20)35-26(21)23(16-31)34-19/h2-7,13,19,21,23,26,31H,8-12,14-16H2,1H3,(H,28,32)/t19-,21+,23+,26-/m0/s1" ; chebi:inchikey "LVKYMQHIUYSGLY-RLCNXLTRSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102608" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide" . obo:CHEBI_102609 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H28N2O8" ; chebi:inchi "InChI=1S/C25H28N2O8/c1-31-12-24(30)27-15-3-5-19-17(7-15)18-8-16(34-22(11-28)25(18)35-19)9-23(29)26-10-14-2-4-20-21(6-14)33-13-32-20/h2-7,16,18,22,25,28H,8-13H2,1H3,(H,26,29)(H,27,30)/t16-,18-,22+,25+/m0/s1" ; chebi:inchikey "ZGEAGHWTKPKCOK-HNJJPSDCSA-N" ; chebi:mass "484.499" ; chebi:monoisotopicmass "484.18457" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102609" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_10261 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18205 ; owl:deprecated true . obo:CHEBI_102610 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H33ClN2O4" ; chebi:inchi "InChI=1S/C26H33ClN2O4/c27-21-8-6-20(7-9-21)15-29-16-22(30)17-32-18-25-24(29)11-10-23(33-25)14-26(31)28-13-12-19-4-2-1-3-5-19/h1-9,22-25,30H,10-18H2,(H,28,31)/t22-,23+,24+,25-/m1/s1" ; chebi:inchikey "CXJRMLHIKXWLHJ-WSOYEBOPSA-N" ; chebi:mass "473.005" ; chebi:monoisotopicmass "472.21289" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC=C(C=C3)Cl)O)O[C@@H]1CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102610" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_102611 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H26N2O7S" ; chebi:inchi "InChI=1S/C23H26N2O7S/c1-14-5-3-4-6-21(14)33(29,30)24-15-7-10-19-17(11-15)23(28)25(2)18-9-8-16(12-22(26)27)32-20(18)13-31-19/h3-7,10-11,16,18,20,24H,8-9,12-13H2,1-2H3,(H,26,27)/t16-,18+,20-/m1/s1" ; chebi:inchikey "RXPZKEATMSRBBD-IMFGXOCKSA-N" ; chebi:mass "474.529" ; chebi:monoisotopicmass "474.14607" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@@H](O4)CC(=O)O)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102611" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_102612 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H34N2O6" ; chebi:inchi "InChI=1S/C24H34N2O6/c27-18-13-26(12-17-4-7-21-22(10-17)31-16-30-21)20-6-5-19(32-23(20)15-29-14-18)11-24(28)25-8-2-1-3-9-25/h4,7,10,18-20,23,27H,1-3,5-6,8-9,11-16H2/t18-,19+,20+,23-/m1/s1" ; chebi:inchikey "TYHBJRPCTKOJBR-QTDGGUCWSA-N" ; chebi:mass "446.537" ; chebi:monoisotopicmass "446.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102612" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_102613 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20-,21+,22-/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-HTFPWXHTSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102613" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13960" . obo:CHEBI_102614 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N5O4" ; chebi:inchi "InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18-,23+/m1/s1" ; chebi:inchikey "ZGJMWZDWXNCIBA-PNCHPQGNSA-N" ; chebi:mass "469.577" ; chebi:monoisotopicmass "469.26890" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102614" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102615 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)12-25-11-16)9-20(24)22-15-7-13-3-1-2-4-14(13)8-15/h1-4,15-19,21,23H,5-12H2,(H,22,24)/t16-,17-,18-,19+/m0/s1" ; chebi:inchikey "VINMFOKKSKWMTO-CADBVGFASA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)NC3CC4=CC=CC=C4C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102615" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_102616 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H27ClF3N3O5" ; chebi:inchi "InChI=1S/C29H27ClF3N3O5/c30-18-5-1-16(2-6-18)14-34-26(38)13-21-12-23-22-11-20(9-10-24(22)41-27(23)25(15-37)40-21)36-28(39)35-19-7-3-17(4-8-19)29(31,32)33/h1-11,21,23,25,27,37H,12-15H2,(H,34,38)(H2,35,36,39)/t21-,23-,25+,27+/m0/s1" ; chebi:inchikey "QUFPSNAFNYGAMM-JZEPBHRJSA-N" ; chebi:mass "589.991" ; chebi:monoisotopicmass "589.15913" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102616" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_102617 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O4S" ; chebi:inchi "InChI=1S/C25H36N4O4S/c1-6-7-23(30)27-19-8-9-21-20(12-19)25(31)28(4)14-22(32-5)17(2)13-29(18(3)16-33-21)15-24-26-10-11-34-24/h8-12,17-18,22H,6-7,13-16H2,1-5H3,(H,27,30)/t17-,18-,22+/m1/s1" ; chebi:inchikey "LLNFNSHBDLACGS-HMFYCAOWSA-N" ; chebi:mass "488.645" ; chebi:monoisotopicmass "488.24573" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102617" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_102618 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30FN3O6S" ; chebi:inchi "InChI=1S/C21H30FN3O6S/c22-17-4-1-2-5-20(17)32(28,29)24-18-7-6-16(31-19(18)15-26)14-21(27)23-8-3-9-25-10-12-30-13-11-25/h1-2,4-7,16,18-19,24,26H,3,8-15H2,(H,23,27)/t16-,18+,19-/m1/s1" ; chebi:inchikey "XLDWFJCTUAPIOT-NZSAHSFTSA-N" ; chebi:mass "471.545" ; chebi:monoisotopicmass "471.18394" ; chebi:smiles "C1COCCN1CCCNC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102618" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_102619 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S" ; chebi:inchi "InChI=1S/C27H36N2O6S/c1-34-22-7-10-24(11-8-22)36(32,33)28-25-12-9-23(35-26(25)19-30)18-27(31)29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-8,10-11,21,23,25-26,28,30H,9,12-19H2,1H3/t23-,25+,26-/m0/s1" ; chebi:inchikey "JXWMWOXWMMUZLT-DMDYGQEQSA-N" ; chebi:mass "516.652" ; chebi:monoisotopicmass "516.22941" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102619" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide" . obo:CHEBI_10262 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27535 ; owl:deprecated true . obo:CHEBI_102620 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H28N2O8" ; chebi:inchi "InChI=1S/C25H28N2O8/c1-31-12-24(30)27-15-3-5-19-17(7-15)18-8-16(34-22(11-28)25(18)35-19)9-23(29)26-10-14-2-4-20-21(6-14)33-13-32-20/h2-7,16,18,22,25,28H,8-13H2,1H3,(H,26,29)(H,27,30)/t16-,18+,22+,25-/m0/s1" ; chebi:inchikey "ZGEAGHWTKPKCOK-BXCPNTJMSA-N" ; chebi:mass "484.499" ; chebi:monoisotopicmass "484.18457" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102620" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102621 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37N5O4" ; chebi:inchi "InChI=1S/C30H37N5O4/c1-21-18-35(15-12-23-8-6-5-7-9-23)22(2)20-39-27-16-24(33-29(36)26-17-31-13-14-32-26)10-11-25(27)30(37)34(3)19-28(21)38-4/h5-11,13-14,16-17,21-22,28H,12,15,18-20H2,1-4H3,(H,33,36)/t21-,22-,28-/m0/s1" ; chebi:inchikey "BQPYXUUVDOUQTE-VPYPWEPUSA-N" ; chebi:mass "531.647" ; chebi:monoisotopicmass "531.28455" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102621" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102622 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H26N2O3" ; chebi:inchi "InChI=1S/C22H26N2O3/c1-27-15-21(26)24-19(13-23)22(20(24)14-25)18-11-9-17(10-12-18)8-4-7-16-5-2-3-6-16/h9-12,16,19-20,22,25H,2-3,5-7,14-15H2,1H3/t19-,20-,22+/m1/s1" ; chebi:inchikey "FOQJOAXBJHEYGA-SJBKTWHCSA-N" ; chebi:mass "366.454" ; chebi:monoisotopicmass "366.19434" ; chebi:smiles "COCC(=O)N1[C@@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CCC3CCCC3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102622" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102623 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O5" ; chebi:inchi "InChI=1S/C19H32N2O5/c1-20(2)18(23)9-15-7-8-16-17(26-15)12-25-11-14(22)10-21(16)19(24)13-5-3-4-6-13/h13-17,22H,3-12H2,1-2H3/t14-,15+,16+,17-/m1/s1" ; chebi:inchikey "XUIBJKJBLJUMMA-LTIDMASMSA-N" ; chebi:mass "368.469" ; chebi:monoisotopicmass "368.23112" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)C3CCCC3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102623" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_102624 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b247 rdf:type owl:Restriction . obo:CHEBI_102624 rdfs:subClassOf _:b247 . _:b247 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_102624 chebi:charge "0" ; chebi:formula "C19H25N3O2" ; chebi:inchi "InChI=1S/C19H25N3O2/c20-13-16-19(15-7-3-1-4-8-15)17(14-23)22(16)18(24)9-12-21-10-5-2-6-11-21/h1,3-4,7-8,16-17,19,23H,2,5-6,9-12,14H2/t16-,17+,19+/m1/s1" ; chebi:inchikey "DNWBFORDJWKZCR-AOIWGVFYSA-N" ; chebi:mass "327.421" ; chebi:monoisotopicmass "327.19468" ; chebi:smiles "C1CCN(CC1)CCC(=O)N2[C@H]([C@H]([C@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102624" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_102625 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N5O4" ; chebi:inchi "InChI=1S/C22H29N5O4/c1-14-10-25-15(2)13-31-19-9-16(26-21(28)18-11-23-7-8-24-18)5-6-17(19)22(29)27(3)12-20(14)30-4/h5-9,11,14-15,20,25H,10,12-13H2,1-4H3,(H,26,28)/t14-,15+,20-/m0/s1" ; chebi:inchikey "ORFROPTWDCALKP-MDOVXXIYSA-N" ; chebi:mass "427.498" ; chebi:monoisotopicmass "427.22195" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102625" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102626 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37FN6O6" ; chebi:inchi "InChI=1S/C30H37FN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-11-10-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-8-21(31)12-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18-,26+/m1/s1" ; chebi:inchikey "DJGRJRLVSKCCNZ-KABRZNFWSA-N" ; chebi:mass "596.651" ; chebi:monoisotopicmass "596.27586" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102626" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8R)-N-(3,5-dimethyl-4-isoxazolyl)-14-[[(3-fluoroanilino)-oxomethyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_102627 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18-,20-,22-,25+/m1/s1" ; chebi:inchikey "ALLGXHRZPBERLG-ZAWIEKPNSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102627" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102628 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C23H26N2O6S" ; chebi:inchi "InChI=1S/C23H26N2O6S/c1-25-18-7-6-15(11-22(27)29-2)31-20(18)13-30-19-8-5-14(10-17(19)23(25)28)24-21(26)12-16-4-3-9-32-16/h3-5,8-10,15,18,20H,6-7,11-13H2,1-2H3,(H,24,26)/t15-,18+,20-/m0/s1" ; chebi:inchikey "VIAXYKVUXVILCJ-CVAIRZPRSA-N" ; chebi:mass "458.529" ; chebi:monoisotopicmass "458.15116" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102628" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_102629 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H34N2O6S" ; chebi:inchi "InChI=1S/C30H34N2O6S/c1-21-6-5-9-27(16-21)39(35,36)32-18-25(33)19-37-20-29-28(32)15-14-26(38-29)17-30(34)31-24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-13,16,25-26,28-29,33H,14-15,17-20H2,1H3,(H,31,34)/t25-,26+,28+,29-/m1/s1" ; chebi:inchikey "LOPBZILAZMWERO-FUCIELGGSA-N" ; chebi:mass "550.668" ; chebi:monoisotopicmass "550.21376" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102629" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_10263 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C12H21O11R" ; chebi:mass "341.289" ; chebi:monoisotopicmass "341.10839" ; chebi:smiles "OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[*])[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10263" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-D-Mannosyl-1,3-(R1)-beta-D-mannosyl-R2" . obo:CHEBI_102630 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H29N3O3" ; chebi:inchi "InChI=1S/C28H29N3O3/c32-17-23-22-16-30-24(7-4-8-25(30)33)26(22)31(15-18-9-10-18)27(23)28(34)29-21-13-11-20(12-14-21)19-5-2-1-3-6-19/h1-8,11-14,18,22-23,26-27,32H,9-10,15-17H2,(H,29,34)/t22-,23-,26+,27-/m1/s1" ; chebi:inchikey "SJOVMCPVBGRFMC-JUIYCPNDSA-N" ; chebi:mass "455.549" ; chebi:monoisotopicmass "455.22089" ; chebi:smiles "C1CC1CN2[C@H]3[C@H](CN4C3=CC=CC4=O)[C@H]([C@@H]2C(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102630" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-N-(4-phenylphenyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102631 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C24H25N3O2" ; chebi:inchi "InChI=1S/C24H25N3O2/c25-15-21-24(20-8-6-19(7-9-20)18-4-2-1-3-5-18)22(16-28)27(21)23(29)14-17-10-12-26-13-11-17/h4,6-13,21-22,24,28H,1-3,5,14,16H2/t21-,22-,24+/m0/s1" ; chebi:inchikey "GMLMGXOKFZUTJK-WPFOTENUSA-N" ; chebi:mass "387.475" ; chebi:monoisotopicmass "387.19468" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)CC4=CC=NC=C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102631" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102632 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C26H32F3N3O4" ; chebi:inchi "InChI=1S/C26H32F3N3O4/c27-26(28,29)20-3-1-2-19(12-20)14-32-15-21(33)16-35-17-24-23(32)5-4-22(36-24)13-25(34)31-11-8-18-6-9-30-10-7-18/h1-3,6-7,9-10,12,21-24,33H,4-5,8,11,13-17H2,(H,31,34)/t21-,22+,23+,24-/m1/s1" ; chebi:inchikey "QCHQNBIYSRQADD-NAVOZUGXSA-N" ; chebi:mass "507.546" ; chebi:monoisotopicmass "507.23449" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@@H]1CC(=O)NCCC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102632" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102633 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C17H32N2O5S" ; chebi:inchi "InChI=1S/C17H32N2O5S/c1-2-25(22,23)18-11-10-14-8-9-15(16(12-20)24-14)19-17(21)13-6-4-3-5-7-13/h13-16,18,20H,2-12H2,1H3,(H,19,21)/t14-,15+,16-/m1/s1" ; chebi:inchikey "NFMKQITUWMOCLJ-OWCLPIDISA-N" ; chebi:mass "376.513" ; chebi:monoisotopicmass "376.20319" ; chebi:smiles "CCS(=O)(=O)NCC[C@H]1CC[C@@H]([C@H](O1)CO)NC(=O)C2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102633" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]cyclohexanecarboxamide" . obo:CHEBI_102634 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H38N4O5" ; chebi:inchi "InChI=1S/C25H38N4O5/c1-15(2)26-25(32)29-12-16(3)22(33-6)13-28(5)24(31)20-11-19(27-23(30)18-7-8-18)9-10-21(20)34-14-17(29)4/h9-11,15-18,22H,7-8,12-14H2,1-6H3,(H,26,32)(H,27,30)/t16-,17-,22+/m1/s1" ; chebi:inchikey "CYXOTKWKLUXHGN-YVHKJVDXSA-N" ; chebi:mass "474.594" ; chebi:monoisotopicmass "474.28422" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102634" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8R)-14-[[cyclopropyl(oxo)methyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_102635 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C21H24N2O4" ; chebi:inchi "InChI=1S/C21H24N2O4/c1-27-21(26)19-15(13-24)17-12-23-16(8-5-9-18(23)25)20(19)22(17)11-10-14-6-3-2-4-7-14/h2-9,15,17,19-20,24H,10-13H2,1H3/t15-,17-,19+,20+/m1/s1" ; chebi:inchikey "YMDLGNDEUAJUCM-BEKAIBRUSA-N" ; chebi:mass "368.427" ; chebi:monoisotopicmass "368.17361" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@@H]1N2CCC4=CC=CC=C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102635" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13982" . obo:CHEBI_102636 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C25H32N2O4" ; chebi:inchi "InChI=1S/C25H32N2O4/c1-17-13-27(18(2)15-28)25(30)23-12-8-7-11-22(23)21-10-6-5-9-20(21)16-31-24(17)14-26(4)19(3)29/h5-12,17-18,24,28H,13-16H2,1-4H3/t17-,18-,24+/m0/s1" ; chebi:inchikey "PBZGESVUNIXUSB-LLJLJFOGSA-N" ; chebi:mass "424.534" ; chebi:monoisotopicmass "424.23621" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102636" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13983" . obo:CHEBI_102637 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C21H29N3O4" ; chebi:inchi "InChI=1S/C21H29N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-8,13,16-19,25H,9-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18-,19-/m1/s1" ; chebi:inchikey "PBTCYEHOLZFKGG-GUDVDZBRSA-N" ; chebi:mass "387.473" ; chebi:monoisotopicmass "387.21581" ; chebi:smiles "CC(C)NC(=O)N[C@@H]1C=C[C@@H](O[C@@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102637" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102638 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C19H19N3O3" ; chebi:inchi "InChI=1S/C19H19N3O3/c1-25-12-18(24)22-16(9-20)19(17(22)11-23)14-6-4-13(5-7-14)15-3-2-8-21-10-15/h2-8,10,16-17,19,23H,11-12H2,1H3/t16-,17+,19-/m1/s1" ; chebi:inchikey "NONDGOMIDWLUNU-ZIFCJYIRSA-N" ; chebi:mass "337.373" ; chebi:monoisotopicmass "337.14264" ; chebi:smiles "COCC(=O)N1[C@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CN=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102638" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_102639 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H39N5O5" ; chebi:inchi "InChI=1S/C32H39N5O5/c1-19-15-37(20(2)17-38)31(39)30-28(25-13-9-10-14-26(25)36(30)6)24-12-8-7-11-23(24)18-41-27(19)16-35(5)32(40)33-29-21(3)34-42-22(29)4/h7-14,19-20,27,38H,15-18H2,1-6H3,(H,33,40)/t19-,20+,27-/m0/s1" ; chebi:inchikey "WBCPGODJHKXDGU-VKIDHGPPSA-N" ; chebi:mass "573.684" ; chebi:monoisotopicmass "573.29512" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102639" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13986" . obo:CHEBI_10264 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_22407 ; owl:deprecated true . obo:CHEBI_102640 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27ClN4O4" ; chebi:inchi "InChI=1S/C22H27ClN4O4/c23-15-4-6-16(7-5-15)26-22(30)27-19-9-8-18(31-20(19)14-28)10-12-25-21(29)13-17-3-1-2-11-24-17/h1-7,11,18-20,28H,8-10,12-14H2,(H,25,29)(H2,26,27,30)/t18-,19+,20+/m0/s1" ; chebi:inchikey "JTIOTWTUDVMQPE-XUVXKRRUSA-N" ; chebi:mass "446.928" ; chebi:monoisotopicmass "446.17208" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCNC(=O)CC2=CC=CC=N2)CO)NC(=O)NC3=CC=C(C=C3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102640" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_102641 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H36N4O6" ; chebi:inchi "InChI=1S/C32H36N4O6/c1-36-27-13-12-25(19-30(37)33-16-15-21-7-4-3-5-8-21)42-29(27)20-41-28-14-11-23(18-26(28)31(36)38)35-32(39)34-22-9-6-10-24(17-22)40-2/h3-11,14,17-18,25,27,29H,12-13,15-16,19-20H2,1-2H3,(H,33,37)(H2,34,35,39)/t25-,27+,29-/m1/s1" ; chebi:inchikey "UEIQSFPBDLFQGU-WGHVJBFBSA-N" ; chebi:mass "572.653" ; chebi:monoisotopicmass "572.26348" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)OC)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102641" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_102642 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H33ClFN3O3" ; chebi:inchi "InChI=1S/C24H33ClFN3O3/c1-17(13-29(18(2)16-30)14-19-7-5-6-8-22(19)25)23(32-4)15-28(3)24(31)27-21-11-9-20(26)10-12-21/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,27,31)/t17-,18-,23+/m0/s1" ; chebi:inchikey "OEVRCWMHWGKQED-IUKKYPGJSA-N" ; chebi:mass "465.989" ; chebi:monoisotopicmass "465.21945" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102642" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-3-(4-fluorophenyl)-1-methylurea" . obo:CHEBI_102643 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H37N3O6S" ; chebi:inchi "InChI=1S/C24H37N3O6S/c28-19-16-27(34(30,31)21-7-3-1-4-8-21)22-10-9-20(33-23(22)18-32-17-19)15-24(29)25-11-14-26-12-5-2-6-13-26/h1,3-4,7-8,19-20,22-23,28H,2,5-6,9-18H2,(H,25,29)/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "BTHNBOLPOQRYCE-RLBLXZPPSA-N" ; chebi:mass "495.634" ; chebi:monoisotopicmass "495.24031" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3S(=O)(=O)C4=CC=CC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102643" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102644 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "0" ; chebi:formula "C19H26Cl2N2O4" ; chebi:inchi "InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14+,17+,18-/m1/s1" ; chebi:inchikey "ZCDZHCWZNJFIKB-IDCJVQTKSA-N" ; chebi:mass "417.327" ; chebi:monoisotopicmass "416.12696" ; chebi:smiles "CNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102644" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide" . obo:CHEBI_102645 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H32F2N6O5" ; chebi:inchi "InChI=1S/C29H32F2N6O5/c1-17-14-37(28(39)24-13-32-9-10-33-24)18(2)16-42-25-12-20(6-7-21(25)27(38)36(3)15-26(17)41-4)34-29(40)35-23-11-19(30)5-8-22(23)31/h5-13,17-18,26H,14-16H2,1-4H3,(H2,34,35,40)/t17-,18-,26-/m1/s1" ; chebi:inchikey "ZXQGUZCJBQNBQR-UYPAYLBCSA-N" ; chebi:mass "582.599" ; chebi:monoisotopicmass "582.24022" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=NC=CN=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102645" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102646 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-17(2)26-24(29)25-15-14-20-10-13-22(23(16-28)33-20)27-34(30,31)21-11-8-19(9-12-21)32-18-6-4-3-5-7-18/h3-9,11-12,17,20,22-23,27-28H,10,13-16H2,1-2H3,(H2,25,26,29)/t20-,22-,23-/m0/s1" ; chebi:inchikey "URVFCIGKBRHLNA-PMVMPFDFSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "CC(C)NC(=O)NCC[C@@H]1CC[C@@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102646" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea" . obo:CHEBI_102647 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O5S" ; chebi:inchi "InChI=1S/C23H34N4O5S/c1-31-21-9-5-6-10-23(21)33(29,30)25-19-12-11-18(32-22(19)16-28)13-14-27-15-20(24-26-27)17-7-3-2-4-8-17/h5-6,9-10,15,17-19,22,25,28H,2-4,7-8,11-14,16H2,1H3/t18-,19+,22-/m0/s1" ; chebi:inchikey "HBWIVVUPODMQBV-JQVVWYNYSA-N" ; chebi:mass "478.607" ; chebi:monoisotopicmass "478.22499" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCN3C=C(N=N3)C4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102647" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methoxybenzenesulfonamide" . obo:CHEBI_102648 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C27H30Cl2N2O5" ; chebi:inchi "InChI=1S/C27H30Cl2N2O5/c28-20-9-19(10-21(29)11-20)27(34)31-14-22(32)15-35-16-25-24(31)6-5-23(36-25)12-26(33)30-8-7-17-3-1-2-4-18(17)13-30/h1-4,9-11,22-25,32H,5-8,12-16H2/t22-,23+,24-,25+/m1/s1" ; chebi:inchikey "RFSVTUPSJXWLCE-RCTAOEEJSA-N" ; chebi:mass "533.444" ; chebi:monoisotopicmass "532.15318" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O)O[C@@H]1CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102648" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_102649 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-35-23-9-5-8-22(16-23)30-28(34)31-25-15-14-24(36-26(25)18-32)17-27(33)29-21-12-10-20(11-13-21)19-6-3-2-4-7-19/h2-16,24-26,32H,17-18H2,1H3,(H,29,33)(H2,30,31,34)/t24-,25+,26+/m1/s1" ; chebi:inchikey "HIZAXMBYTZOIAT-ZNZIZOMTSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102649" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_10265 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28067 ; owl:deprecated true . obo:CHEBI_102650 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C19H19FN2O6S" ; chebi:inchi "InChI=1S/C19H19FN2O6S/c1-29(27,28)22-16-13(14(9-23)17(22)19(25)26)8-21-15(16)7-6-12(18(21)24)10-2-4-11(20)5-3-10/h2-7,13-14,16-17,23H,8-9H2,1H3,(H,25,26)/t13-,14-,16+,17-/m0/s1" ; chebi:inchikey "PCISDUIZPJCQMU-DIECFANBSA-N" ; chebi:mass "422.429" ; chebi:monoisotopicmass "422.09479" ; chebi:smiles "CS(=O)(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]([C@H]1C(=O)O)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102650" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(4-fluorophenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid" . obo:CHEBI_102651 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-17(2)27(33)30-19-7-12-24-22(13-19)28(34)31(3)23-11-10-21(37-25(23)16-36-24)14-26(32)29-15-18-5-8-20(35-4)9-6-18/h5-9,12-13,17,21,23,25H,10-11,14-16H2,1-4H3,(H,29,32)(H,30,33)/t21-,23-,25+/m1/s1" ; chebi:inchikey "WOMWNJCZYVCUPK-PFATUAPWSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)OC)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102651" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide" . obo:CHEBI_102652 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C31H41N3O6" ; chebi:inchi "InChI=1S/C31H41N3O6/c1-38-28-10-6-5-9-26(28)32-31(37)34-19-24(35)20-39-21-29-27(34)12-11-25(40-29)18-30(36)33-15-13-23(14-16-33)17-22-7-3-2-4-8-22/h2-10,23-25,27,29,35H,11-21H2,1H3,(H,32,37)/t24-,25+,27+,29-/m1/s1" ; chebi:inchikey "PLPDORRRKBPITR-NKLDQQJQSA-N" ; chebi:mass "551.675" ; chebi:monoisotopicmass "551.29954" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102652" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8S,10aS)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102653 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H21F3N2O6" ; chebi:inchi "InChI=1S/C22H21F3N2O6/c23-22(24,25)11-1-3-12(4-2-11)26-21(31)27-13-5-6-17-15(7-13)16-8-14(9-19(29)30)32-18(10-28)20(16)33-17/h1-7,14,16,18,20,28H,8-10H2,(H,29,30)(H2,26,27,31)/t14-,16-,18+,20+/m0/s1" ; chebi:inchikey "RRHNJWQDAKAZMZ-LBLLVPRASA-N" ; chebi:mass "466.408" ; chebi:monoisotopicmass "466.13517" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102653" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_102654 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H30FN5O3" ; chebi:inchi "InChI=1S/C26H30FN5O3/c1-3-31-23-20(21(14-33)24(31)25(34)28-11-10-18-12-30(2)15-29-18)13-32-22(23)9-8-19(26(32)35)16-4-6-17(27)7-5-16/h4-9,12,15,20-21,23-24,33H,3,10-11,13-14H2,1-2H3,(H,28,34)/t20-,21-,23+,24-/m1/s1" ; chebi:inchikey "QCFMKJOQGAVCFD-CJTFWIGWSA-N" ; chebi:mass "479.547" ; chebi:monoisotopicmass "479.23327" ; chebi:smiles "CCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]([C@@H]1C(=O)NCCC5=CN(C=N5)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102654" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-ethyl-7-(4-fluorophenyl)-3-(hydroxymethyl)-N-[2-(1-methyl-4-imidazolyl)ethyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102655 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H30FN3O6S" ; chebi:inchi "InChI=1S/C20H30FN3O6S/c21-15-1-4-17(5-2-15)31(27,28)23-18-6-3-16(30-19(18)14-25)7-8-22-20(26)13-24-9-11-29-12-10-24/h1-2,4-5,16,18-19,23,25H,3,6-14H2,(H,22,26)/t16-,18+,19+/m0/s1" ; chebi:inchikey "JNXYUDJSGYXBCY-QXAKKESOSA-N" ; chebi:mass "459.534" ; chebi:monoisotopicmass "459.18394" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCNC(=O)CN2CCOCC2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102655" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide" . obo:CHEBI_102656 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H37FN4O4" ; chebi:inchi "InChI=1S/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-11-7-8-12-28(27)37(31)4)26-10-6-5-9-23(26)20-42-29(21)18-36(3)33(41)35-25-15-13-24(34)14-16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22+,29+/m1/s1" ; chebi:inchikey "HIWUQZOVKTUVHW-BXOOBUKZSA-N" ; chebi:mass "572.671" ; chebi:monoisotopicmass "572.27988" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102656" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14003" . obo:CHEBI_102657 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c25-18-3-1-2-16(10-18)12-27-23(30)11-20-4-5-21-22(33-20)15-32-14-19(29)13-28(21)24(31)17-6-8-26-9-7-17/h1-3,6-10,19-22,29H,4-5,11-15H2,(H,27,30)/t19-,20-,21-,22+/m1/s1" ; chebi:inchikey "VWRSVZSWDSMGOW-YSFYHYPLSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC=NC=C3)O)O[C@H]1CC(=O)NCC4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102657" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_102658 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C25H34N2O5" ; chebi:inchi "InChI=1S/C25H34N2O5/c1-18(13-27(19(2)16-28)25(29)21-8-6-5-7-9-21)24(30-4)15-26(3)14-20-10-11-22-23(12-20)32-17-31-22/h5-12,18-19,24,28H,13-17H2,1-4H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "RDQYWFNTQPCNSM-XLNZFTOWSA-N" ; chebi:mass "442.549" ; chebi:monoisotopicmass "442.24677" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)C1=CC=CC=C1)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102658" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide" . obo:CHEBI_102659 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-23(2)20(26)10-14-9-16-15-8-13(22-19(25)7-12-3-4-12)5-6-17(15)28-21(16)18(11-24)27-14/h5-6,8,12,14,16,18,21,24H,3-4,7,9-11H2,1-2H3,(H,22,25)/t14-,16+,18-,21-/m1/s1" ; chebi:inchikey "PPHZKQYZEIZDOF-HRWHDRTOSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102659" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_10266 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27896 ; owl:deprecated true . obo:CHEBI_102660 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C29H33N3O4" ; chebi:inchi "InChI=1S/C29H33N3O4/c33-17-22-24-16-31-23(15-14-21(29(31)36)18-8-4-5-9-18)26(25(22)27(34)30-20-12-6-7-13-20)32(24)28(35)19-10-2-1-3-11-19/h1-3,8,10-11,14-15,20,22,24-26,33H,4-7,9,12-13,16-17H2,(H,30,34)/t22-,24-,25+,26+/m1/s1" ; chebi:inchikey "MOGZBFKOCSCLHD-BPHNFWMXSA-N" ; chebi:mass "487.591" ; chebi:monoisotopicmass "487.24711" ; chebi:smiles "C1CCC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CCCC5)[C@@H]2N3C(=O)C6=CC=CC=C6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102660" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14007" . obo:CHEBI_102661 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H38N4O5" ; chebi:inchi "InChI=1S/C27H38N4O5/c1-18-12-31(13-22-16-35-17-28-22)19(2)15-36-24-11-21(29-26(32)20-7-5-6-8-20)9-10-23(24)27(33)30(3)14-25(18)34-4/h9-11,16-20,25H,5-8,12-15H2,1-4H3,(H,29,32)/t18-,19-,25+/m1/s1" ; chebi:inchikey "MYQCBFUDPAPJCT-RRQZXNHTSA-N" ; chebi:mass "498.615" ; chebi:monoisotopicmass "498.28422" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=COC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102661" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-(4-oxazolylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_102662 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-17-14-31(27(34)22-7-5-6-12-28-22)18(2)16-36-23-13-20(29-25(32)19-8-9-19)10-11-21(23)26(33)30(3)15-24(17)35-4/h5-7,10-13,17-19,24H,8-9,14-16H2,1-4H3,(H,29,32)/t17-,18+,24-/m0/s1" ; chebi:inchikey "ICZJHRYDJKYLQD-RHGYRFJNSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102662" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_102663 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29FN4O5S" ; chebi:inchi "InChI=1S/C21H29FN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16-,20+/m1/s1" ; chebi:inchikey "DJBLUNZOFTWTAE-QINHECLXSA-N" ; chebi:mass "468.544" ; chebi:monoisotopicmass "468.18427" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102663" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_102664 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-39-29(21)18-33(3)31(37)32-24-11-9-12-25(16-24)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22+,29+/m0/s1" ; chebi:inchikey "WYYHNXRAZIWUBG-DKGMKSHISA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102664" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14011" . obo:CHEBI_102665 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H28ClN3O3" ; chebi:inchi "InChI=1S/C24H28ClN3O3/c25-19-8-3-2-7-16(19)13-28-22-17(14-27-20(22)9-6-10-21(27)30)18(15-29)23(28)24(31)26-11-4-1-5-12-26/h2-3,6-10,17-18,22-23,29H,1,4-5,11-15H2/t17-,18-,22+,23-/m1/s1" ; chebi:inchikey "VQCZTXNNKFBGGK-FJDVCKPCSA-N" ; chebi:mass "441.951" ; chebi:monoisotopicmass "441.18192" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2CC5=CC=CC=C5Cl)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102665" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-2-[oxo(1-piperidinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_102666 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C21H32N4O3" ; chebi:inchi "InChI=1S/C21H32N4O3/c1-23(2)10-4-9-22-21(28)19-15(13-26)17-12-24-16(5-3-6-18(24)27)20(19)25(17)11-14-7-8-14/h3,5-6,14-15,17,19-20,26H,4,7-13H2,1-2H3,(H,22,28)/t15-,17-,19+,20+/m0/s1" ; chebi:inchikey "FYGCWFQCJMSVAD-SMMRIJLZSA-N" ; chebi:mass "388.505" ; chebi:monoisotopicmass "388.24744" ; chebi:smiles "CN(C)CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=O)C=CC=C3[C@H]1N2CC4CC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102666" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14013" . obo:CHEBI_102667 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H37FN4O6S" ; chebi:inchi "InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25-,27-/m1/s1" ; chebi:inchikey "TUUZOQPHVDGSNW-AVPJRLCVSA-N" ; chebi:mass "588.693" ; chebi:monoisotopicmass "588.24178" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102667" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102668 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H37N3O6S" ; chebi:inchi "InChI=1S/C24H37N3O6S/c28-19-16-27(34(30,31)21-7-3-1-4-8-21)22-10-9-20(33-23(22)18-32-17-19)15-24(29)25-11-14-26-12-5-2-6-13-26/h1,3-4,7-8,19-20,22-23,28H,2,5-6,9-18H2,(H,25,29)/t19-,20+,22+,23-/m0/s1" ; chebi:inchikey "BTHNBOLPOQRYCE-JVSAHFFESA-N" ; chebi:mass "495.634" ; chebi:monoisotopicmass "495.24031" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3S(=O)(=O)C4=CC=CC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102668" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102669 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H26N4O3" ; chebi:inchi "InChI=1S/C25H26N4O3/c1-2-28-21-14-29-20(9-8-18(25(29)32)16-10-12-26-13-11-16)23(28)22(19(21)15-30)24(31)27-17-6-4-3-5-7-17/h3-13,19,21-23,30H,2,14-15H2,1H3,(H,27,31)/t19-,21-,22+,23+/m0/s1" ; chebi:inchikey "OPFBOJMKCVWWQL-KZKAQZJJSA-N" ; chebi:mass "430.500" ; chebi:monoisotopicmass "430.20049" ; chebi:smiles "CCN1[C@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102669" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14016" . obo:CHEBI_10267 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_42606 ; owl:deprecated true . obo:CHEBI_102670 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H20FN3OS" ; chebi:inchi "InChI=1S/C22H20FN3OS/c1-2-18-12-25-22(28-18)26-19(11-24)21(20(26)13-27)15-8-6-14(7-9-15)16-4-3-5-17(23)10-16/h3-10,12,19-21,27H,2,13H2,1H3/t19-,20-,21+/m0/s1" ; chebi:inchikey "IQRVCTXELZIWDH-PCCBWWKXSA-N" ; chebi:mass "393.479" ; chebi:monoisotopicmass "393.13111" ; chebi:smiles "CCC1=CN=C(S1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102670" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102671 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H35N3O5" ; chebi:inchi "InChI=1S/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20+,22+,24-/m0/s1" ; chebi:inchikey "GFIPGJIGSRXJBU-AYEZKCMBSA-N" ; chebi:mass "457.563" ; chebi:monoisotopicmass "457.25767" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102671" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea" . obo:CHEBI_102672 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C28H33N3O6" ; chebi:inchi "InChI=1S/C28H33N3O6/c1-30-23-9-8-21(14-27(33)31-12-11-18-5-3-4-6-19(18)15-31)37-25(23)16-36-24-10-7-20(13-22(24)28(30)34)29-26(32)17-35-2/h3-7,10,13,21,23,25H,8-9,11-12,14-17H2,1-2H3,(H,29,32)/t21-,23-,25-/m0/s1" ; chebi:inchikey "HUCZTLCWVGQLCW-RSEQLOHWSA-N" ; chebi:mass "507.579" ; chebi:monoisotopicmass "507.23694" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)COC)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102672" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxyacetamide" . obo:CHEBI_102673 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C16H21NO5" ; chebi:inchi "InChI=1S/C16H21NO5/c1-17(2)9-3-4-13-11(5-9)12-6-10(7-15(19)20)21-14(8-18)16(12)22-13/h3-5,10,12,14,16,18H,6-8H2,1-2H3,(H,19,20)/t10-,12+,14+,16-/m1/s1" ; chebi:inchikey "MUGALHVVQCOZES-IFXMJZAHSA-N" ; chebi:mass "307.342" ; chebi:monoisotopicmass "307.14197" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102673" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_102674 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H31FN2O5" ; chebi:inchi "InChI=1S/C23H31FN2O5/c24-17-6-4-16(5-7-17)23(29)26-13-18(27)14-30-15-21-20(26)9-8-19(31-21)12-22(28)25-10-2-1-3-11-25/h4-7,18-21,27H,1-3,8-15H2/t18-,19-,20-,21+/m0/s1" ; chebi:inchikey "HWBWJNULPIZKLY-XSDIEEQYSA-N" ; chebi:mass "434.502" ; chebi:monoisotopicmass "434.22170" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)C4=CC=C(C=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102674" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_102675 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H22Cl2N2O5S" ; chebi:inchi "InChI=1S/C21H22Cl2N2O5S/c22-17-8-6-14(10-18(17)23)12-24-21(27)11-15-7-9-19(20(13-26)30-15)25-31(28,29)16-4-2-1-3-5-16/h1-10,15,19-20,25-26H,11-13H2,(H,24,27)/t15-,19-,20-/m1/s1" ; chebi:inchikey "LRDWIZFOJOHHOT-CDHQVMDDSA-N" ; chebi:mass "485.383" ; chebi:monoisotopicmass "484.06265" ; chebi:smiles "C1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102675" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_102676 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37N5O5" ; chebi:inchi "InChI=1S/C27H37N5O5/c1-18-14-32(26(34)20-9-11-28-12-10-20)19(2)17-37-23-13-21(29-25(33)16-30(3)4)7-8-22(23)27(35)31(5)15-24(18)36-6/h7-13,18-19,24H,14-17H2,1-6H3,(H,29,33)/t18-,19-,24-/m1/s1" ; chebi:inchikey "OLPJMCHMQFLJIT-KHCICDEESA-N" ; chebi:mass "511.614" ; chebi:monoisotopicmass "511.27947" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)CN(C)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102676" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(dimethylamino)-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(pyridin-4-yl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_102677 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-17(27-23(29)18-7-5-6-8-20(18)25)11-19(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16-,22-/m0/s1" ; chebi:inchikey "ULFQVHHILZHREN-WCJKSRRJSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102677" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102678 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H25ClFN3O5S" ; chebi:inchi "InChI=1S/C21H25ClFN3O5S/c22-14-3-1-6-18(11-14)32(29,30)24-10-9-17-7-8-19(20(13-27)31-17)26-21(28)25-16-5-2-4-15(23)12-16/h1-6,11-12,17,19-20,24,27H,7-10,13H2,(H2,25,26,28)/t17-,19+,20-/m1/s1" ; chebi:inchikey "FXPAFMKRDBMTQM-YZGWKJHDSA-N" ; chebi:mass "485.959" ; chebi:monoisotopicmass "485.11875" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCNS(=O)(=O)C2=CC(=CC=C2)Cl)CO)NC(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102678" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(3-fluorophenyl)urea" . obo:CHEBI_102679 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H24N2O5S" ; chebi:inchi "InChI=1S/C15H24N2O5S/c1-21-12-3-2-4-13(9-12)23(19,20)17-14-6-5-11(7-8-16)22-15(14)10-18/h2-4,9,11,14-15,17-18H,5-8,10,16H2,1H3/t11-,14+,15-/m0/s1" ; chebi:inchikey "FUQFZQORNFVFMN-GLQYFDAESA-N" ; chebi:mass "344.428" ; chebi:monoisotopicmass "344.14059" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCN" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102679" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide" . obo:CHEBI_10268 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28764 ; owl:deprecated true . obo:CHEBI_102680 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O6" ; chebi:inchi "InChI=1S/C28H34F3N3O6/c1-17-13-34(10-9-28(29,30)31)18(2)15-38-23-12-20(6-7-21(23)27(36)33(3)14-25(17)37-4)32-26(35)19-5-8-22-24(11-19)40-16-39-22/h5-8,11-12,17-18,25H,9-10,13-16H2,1-4H3,(H,32,35)/t17-,18+,25-/m0/s1" ; chebi:inchikey "RXVPCSLMNQSOJP-ATLLOTDBSA-N" ; chebi:mass "565.582" ; chebi:monoisotopicmass "565.23997" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102680" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102681 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-28-23(16-21(36-25)17-26(34)30-10-13-32-11-2-1-3-12-32)22-15-20(4-5-24(22)37-28)31-27(35)14-19-6-8-29-9-7-19/h4-9,15,21,23,25,28,33H,1-3,10-14,16-18H2,(H,30,34)(H,31,35)/t21-,23-,25-,28+/m1/s1" ; chebi:inchikey "FBZDSUDTYUQYGJ-FNIBFVHZSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102681" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102682 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-20-16-33(17-22-6-5-11-30-15-22)21(2)19-38-26-8-7-24(31-28(34)23-9-12-37-13-10-23)14-25(26)29(35)32(3)18-27(20)36-4/h5-8,11,14-15,20-21,23,27H,9-10,12-13,16-19H2,1-4H3,(H,31,34)/t20-,21-,27-/m0/s1" ; chebi:inchikey "WKDBULKSLWTRKP-IZVMNLJQSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102682" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_102683 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H20FNO7S" ; chebi:inchi "InChI=1S/C20H20FNO7S/c21-11-1-4-14(5-2-11)30(26,27)22-12-3-6-17-15(7-12)16-8-13(9-19(24)25)28-18(10-23)20(16)29-17/h1-7,13,16,18,20,22-23H,8-10H2,(H,24,25)/t13-,16-,18-,20+/m0/s1" ; chebi:inchikey "BOKKRFULVUTARF-JQIPDMGMSA-N" ; chebi:mass "437.441" ; chebi:monoisotopicmass "437.09445" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102683" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_102684 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H34N4O7" ; chebi:inchi "InChI=1S/C24H34N4O7/c1-26-6-8-27(9-7-26)23(30)11-18-3-4-19-22(35-18)14-32-13-17(29)12-28(19)24(31)25-16-2-5-20-21(10-16)34-15-33-20/h2,5,10,17-19,22,29H,3-4,6-9,11-15H2,1H3,(H,25,31)/t17-,18+,19-,22+/m1/s1" ; chebi:inchikey "QICYWJCDSALLPT-MOXWOTFGSA-N" ; chebi:mass "490.550" ; chebi:monoisotopicmass "490.24275" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102684" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102685 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c23-13-19-18(22-28(25,26)14-15-5-2-1-3-6-15)10-9-17(27-19)11-12-21-20(24)16-7-4-8-16/h1-3,5-6,16-19,22-23H,4,7-14H2,(H,21,24)/t17-,18+,19+/m0/s1" ; chebi:inchikey "FGKXCNJDDMNFOM-IPMKNSEASA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "C1CC(C1)C(=O)NCC[C@@H]2CC[C@H]([C@H](O2)CO)NS(=O)(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102685" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide" . obo:CHEBI_102686 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H26FN3O5" ; chebi:inchi "InChI=1S/C23H26FN3O5/c1-27(2)21(29)11-16-10-18-17-9-15(7-8-19(17)32-22(18)20(12-28)31-16)26-23(30)25-14-5-3-13(24)4-6-14/h3-9,16,18,20,22,28H,10-12H2,1-2H3,(H2,25,26,30)/t16-,18-,20+,22+/m0/s1" ; chebi:inchikey "HTNOASUNFPMBNX-FDGCKHTNSA-N" ; chebi:mass "443.469" ; chebi:monoisotopicmass "443.18565" ; chebi:smiles "CN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102686" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide" . obo:CHEBI_102687 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O5S" ; chebi:inchi "InChI=1S/C28H34F3N3O5S/c1-18-13-34(19(2)15-35)27(36)26-25(22-11-7-8-12-23(22)33(26)4)21-10-6-5-9-20(21)16-39-24(18)14-32(3)40(37,38)17-28(29,30)31/h5-12,18-19,24,35H,13-17H2,1-4H3/t18-,19-,24-/m1/s1" ; chebi:inchikey "BZAPUCLBFKATKI-KHCICDEESA-N" ; chebi:mass "581.649" ; chebi:monoisotopicmass "581.21713" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102687" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14034" . obo:CHEBI_102688 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H32ClN3O5" ; chebi:inchi "InChI=1S/C26H32ClN3O5/c1-17(18-6-3-2-4-7-18)28-25(32)13-22-10-11-23-24(35-22)16-34-15-21(31)14-30(23)26(33)29-20-9-5-8-19(27)12-20/h2-9,12,17,21-24,31H,10-11,13-16H2,1H3,(H,28,32)(H,29,33)/t17-,21+,22+,23-,24+/m1/s1" ; chebi:inchikey "QYSMODXJNCJWNA-RNBKDOAQSA-N" ; chebi:mass "502.003" ; chebi:monoisotopicmass "501.20305" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102688" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102689 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H32FN3O6" ; chebi:inchi "InChI=1S/C26H32FN3O6/c1-34-23-5-3-2-4-17(23)13-28-25(32)12-21-10-11-22-24(36-21)16-35-15-20(31)14-30(22)26(33)29-19-8-6-18(27)7-9-19/h2-9,20-22,24,31H,10-16H2,1H3,(H,28,32)(H,29,33)/t20-,21+,22-,24+/m1/s1" ; chebi:inchikey "ADXBMBRYFBFALA-GBAAUQCPSA-N" ; chebi:mass "501.548" ; chebi:monoisotopicmass "501.22751" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102689" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-N-(4-fluorophenyl)-3-hydroxy-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_10269 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16300 ; owl:deprecated true . obo:CHEBI_102690 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H35FN4O6S" ; chebi:inchi "InChI=1S/C30H35FN4O6S/c1-20-17-35(29(36)13-22-7-6-12-32-16-22)21(2)19-41-27-11-10-24(15-26(27)30(37)34(3)18-28(20)40-4)33-42(38,39)25-9-5-8-23(31)14-25/h5-12,14-16,20-21,28,33H,13,17-19H2,1-4H3/t20-,21-,28+/m0/s1" ; chebi:inchikey "XXZJPGUPXRETOH-YHGPEZAFSA-N" ; chebi:mass "598.688" ; chebi:monoisotopicmass "598.22613" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102690" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_102691 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27Cl2N3O5" ; chebi:inchi "InChI=1S/C23H27Cl2N3O5/c1-32-20-5-3-2-4-18(20)27-23(31)28-19-9-7-15(33-21(19)13-29)11-22(30)26-12-14-6-8-16(24)17(25)10-14/h2-6,8,10,15,19,21,29H,7,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,19-,21-/m1/s1" ; chebi:inchikey "XCDRDXJNPKYISK-QFIXIFRTSA-N" ; chebi:mass "496.384" ; chebi:monoisotopicmass "495.13278" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102691" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,4-dichlorophenyl)methyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102692 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-38-28(21)18-31(3)39(35,36)29-16-10-9-15-27(29)37-4/h5-16,21-22,28,33H,17-20H2,1-4H3/t21-,22-,28-/m1/s1" ; chebi:inchikey "IDILRECQKBLRIF-DQCZWYHMSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102692" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14039" . obo:CHEBI_102693 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 . _:b248 rdf:type owl:Restriction . obo:CHEBI_102693 rdfs:subClassOf _:b248 . _:b248 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17154 . obo:CHEBI_102693 chebi:charge "0" ; chebi:formula "C21H30N4O4" ; chebi:inchi "InChI=1S/C21H30N4O4/c26-15-19-18(24-21(28)16-5-4-8-22-14-16)7-6-17(29-19)13-20(27)23-9-12-25-10-2-1-3-11-25/h4-8,14,17-19,26H,1-3,9-13,15H2,(H,23,27)(H,24,28)/t17-,18+,19+/m0/s1" ; chebi:inchikey "VGDFEWNPUKUXSQ-IPMKNSEASA-N" ; chebi:mass "402.488" ; chebi:monoisotopicmass "402.22671" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102693" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide" . obo:CHEBI_102694 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H40FN3O5" ; chebi:inchi "InChI=1S/C30H40FN3O5/c1-20-16-34(17-22-11-13-38-14-12-22)21(2)19-39-27-10-9-23(32-29(35)24-7-5-6-8-26(24)31)15-25(27)30(36)33(3)18-28(20)37-4/h5-10,15,20-22,28H,11-14,16-19H2,1-4H3,(H,32,35)/t20-,21+,28-/m0/s1" ; chebi:inchikey "PDYFFKDIVHOONQ-GTNJKRJXSA-N" ; chebi:mass "541.655" ; chebi:monoisotopicmass "541.29520" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)CC4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102694" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102695 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O6" ; chebi:inchi "InChI=1S/C20H28N2O6/c1-3-6-21-18(24)9-13-8-15-14-7-12(22-19(25)11-26-2)4-5-16(14)28-20(15)17(10-23)27-13/h4-5,7,13,15,17,20,23H,3,6,8-11H2,1-2H3,(H,21,24)(H,22,25)/t13-,15+,17+,20-/m1/s1" ; chebi:inchikey "ZWJVDCAUIXXXGX-GKTLAZJLSA-N" ; chebi:mass "392.447" ; chebi:monoisotopicmass "392.19474" ; chebi:smiles "CCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102695" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_102696 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c1-3-5-25(32)30-19-8-11-23-21(13-19)27(34)31(2)22-10-9-20(36-24(22)16-35-23)14-26(33)29-15-17-6-4-7-18(28)12-17/h4,6-8,11-13,20,22,24H,3,5,9-10,14-16H2,1-2H3,(H,29,33)(H,30,32)/t20-,22-,24-/m1/s1" ; chebi:inchikey "BYJFOJVMGKORHN-KIFXHHALSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC(=CC=C4)F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102696" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide" . obo:CHEBI_102697 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H36N4O5S" ; chebi:inchi "InChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(27-14-8-9-15-28(27)36(32)4)26-13-7-5-12-25(26)21-42-29(22)19-35(3)43(40,41)30-16-10-6-11-24(30)17-34/h5-16,22-23,29,38H,18-21H2,1-4H3/t22-,23-,29-/m1/s1" ; chebi:inchikey "VOTKEIORIBNPMA-VDWGHMIBSA-N" ; chebi:mass "600.730" ; chebi:monoisotopicmass "600.24064" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C#N)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102697" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14044" . obo:CHEBI_102698 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23-,24+,30-/m0/s1" ; chebi:inchikey "VTQGPDBOURHJNB-WAHOFHFDSA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](C)C4=CC=CC=C4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102698" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14045" . obo:CHEBI_102699 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H35N3O5" ; chebi:inchi "InChI=1S/C24H35N3O5/c1-27(2)13-23(30)26-16-8-9-20-18(10-16)19-11-17(31-21(14-28)24(19)32-20)12-22(29)25-15-6-4-3-5-7-15/h8-10,15,17,19,21,24,28H,3-7,11-14H2,1-2H3,(H,25,29)(H,26,30)/t17-,19-,21+,24+/m1/s1" ; chebi:inchikey "KRQAAGOFZVBHDO-GOSIJUEPSA-N" ; chebi:mass "445.553" ; chebi:monoisotopicmass "445.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102699" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_1027 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17217 ; owl:deprecated true . obo:CHEBI_10270 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18189 ; owl:deprecated true . obo:CHEBI_102700 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H27F3N4O5" ; chebi:inchi "InChI=1S/C28H27F3N4O5/c29-28(30,31)17-3-5-18(6-4-17)34-27(38)35-19-7-8-23-21(10-19)22-11-20(39-24(15-36)26(22)40-23)12-25(37)33-14-16-2-1-9-32-13-16/h1-10,13,20,22,24,26,36H,11-12,14-15H2,(H,33,37)(H2,34,35,38)/t20-,22+,24-,26-/m0/s1" ; chebi:inchikey "IMICHJYMUCZKDW-YXOQKGKWSA-N" ; chebi:mass "556.534" ; chebi:monoisotopicmass "556.19335" ; chebi:smiles "C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102700" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_102701 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C21H29F3N2O4" ; chebi:inchi "InChI=1S/C21H29F3N2O4/c1-25(2)20(28)9-17-7-8-18-19(30-17)13-29-12-16(27)11-26(18)10-14-3-5-15(6-4-14)21(22,23)24/h3-6,16-19,27H,7-13H2,1-2H3/t16-,17-,18+,19-/m1/s1" ; chebi:inchikey "OUTWOBHUWTVFCP-AKHDSKFASA-N" ; chebi:mass "430.462" ; chebi:monoisotopicmass "430.20794" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2CC3=CC=C(C=C3)C(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102701" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_102702 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C16H28N2O5" ; chebi:inchi "InChI=1S/C16H28N2O5/c1-18(2)15(20)9-12-3-4-13(14(10-19)23-12)17-16(21)11-5-7-22-8-6-11/h11-14,19H,3-10H2,1-2H3,(H,17,21)/t12-,13+,14-/m0/s1" ; chebi:inchikey "WYRQMVCVXSYSKJ-MJBXVCDLSA-N" ; chebi:mass "328.405" ; chebi:monoisotopicmass "328.19982" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@H]([C@@H](O1)CO)NC(=O)C2CCOCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102702" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide" . obo:CHEBI_102703 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H33N3O5S" ; chebi:inchi "InChI=1S/C20H33N3O5S/c1-15-5-8-17(9-6-15)29(26,27)22-18-10-7-16(28-19(18)14-24)13-20(25)21-11-4-12-23(2)3/h5-6,8-9,16,18-19,22,24H,4,7,10-14H2,1-3H3,(H,21,25)/t16-,18-,19+/m1/s1" ; chebi:inchikey "ZAZOOTZCNDNOOW-QRQLOZEOSA-N" ; chebi:mass "427.560" ; chebi:monoisotopicmass "427.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102703" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_102704 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32FN3O7S" ; chebi:inchi "InChI=1S/C30H32FN3O7S/c1-34-25-12-11-22(16-29(35)32-17-19-6-5-7-21(14-19)39-2)41-27(25)18-40-26-13-10-20(15-23(26)30(34)36)33-42(37,38)28-9-4-3-8-24(28)31/h3-10,13-15,22,25,27,33H,11-12,16-18H2,1-2H3,(H,32,35)/t22-,25-,27+/m0/s1" ; chebi:inchikey "MRUYUJCJGOFQDV-RIACCQAKSA-N" ; chebi:mass "597.657" ; chebi:monoisotopicmass "597.19450" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102704" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide" . obo:CHEBI_102705 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22+,27+,28-/m1/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-BYXJMBFLSA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H]4CCCN4C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102705" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14052" . obo:CHEBI_102706 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H32FN5O5S" ; chebi:inchi "InChI=1S/C21H32FN5O5S/c1-15(19(32-5)11-26(4)33(30,31)20-12-25(3)14-23-20)10-27(16(2)13-28)21(29)24-18-8-6-17(22)7-9-18/h6-9,12,14-16,19,28H,10-11,13H2,1-5H3,(H,24,29)/t15-,16+,19+/m0/s1" ; chebi:inchikey "APPCZAALLCDYNG-FRQCXROJSA-N" ; chebi:mass "485.575" ; chebi:monoisotopicmass "485.21082" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102706" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]urea" . obo:CHEBI_102707 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C19H26N2O6" ; chebi:inchi "InChI=1S/C19H26N2O6/c1-21(2)9-17(23)20-11-4-5-15-13(6-11)14-7-12(8-18(24)25-3)26-16(10-22)19(14)27-15/h4-6,12,14,16,19,22H,7-10H2,1-3H3,(H,20,23)/t12-,14+,16+,19-/m1/s1" ; chebi:inchikey "IMIOHDVFACJXOK-BDOZRKEQSA-N" ; chebi:mass "378.420" ; chebi:monoisotopicmass "378.17909" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102707" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102708 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C33H32F3N3O5" ; chebi:inchi "InChI=1S/C33H32F3N3O5/c1-39-27-12-11-25(17-30(40)37-24-14-20-4-2-3-5-21(20)15-24)44-29(27)18-43-28-13-10-23(16-26(28)32(39)42)38-31(41)19-6-8-22(9-7-19)33(34,35)36/h2-10,13,16,24-25,27,29H,11-12,14-15,17-18H2,1H3,(H,37,40)(H,38,41)/t25-,27-,29+/m0/s1" ; chebi:inchikey "CCWJWXJNOLFYBD-MDZVADFISA-N" ; chebi:mass "607.621" ; chebi:monoisotopicmass "607.22941" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F)CC(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102708" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide" . obo:CHEBI_102709 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C16H23N3O3" ; chebi:inchi "InChI=1S/C16H23N3O3/c1-3-7-17-16(22)15-11(9-20)10-8-19-12(14(10)18(15)2)5-4-6-13(19)21/h4-6,10-11,14-15,20H,3,7-9H2,1-2H3,(H,17,22)/t10-,11-,14+,15-/m0/s1" ; chebi:inchikey "MRYDESPSWZCGBB-AZHAFVHUSA-N" ; chebi:mass "305.373" ; chebi:monoisotopicmass "305.17394" ; chebi:smiles "CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=O)C=CC=C3[C@@H]2N1C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102709" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methyl-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_10271 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28552 ; owl:deprecated true . obo:CHEBI_102710 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H43N5O4" ; chebi:inchi "InChI=1S/C33H43N5O4/c1-6-16-35-33(40)36-27-14-15-30-28(18-27)32(39)37(4)21-31(41-5)23(2)19-38(24(3)22-42-30)20-25-10-12-26(13-11-25)29-9-7-8-17-34-29/h7-15,17-18,23-24,31H,6,16,19-22H2,1-5H3,(H2,35,36,40)/t23-,24-,31-/m1/s1" ; chebi:inchikey "DHPIXDXHWYRYQT-OVMXQCPESA-N" ; chebi:mass "573.727" ; chebi:monoisotopicmass "573.33150" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=C(C=C3)C4=CC=CC=N4)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102710" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[[4-(2-pyridinyl)phenyl]methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_102711 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H38N4O5" ; chebi:inchi "InChI=1S/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20-,26-/m1/s1" ; chebi:inchikey "ZWMNFEZEGHFZOH-XMERXJNXSA-N" ; chebi:mass "522.637" ; chebi:monoisotopicmass "522.28422" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102711" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea" . obo:CHEBI_102712 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27FN4O6S" ; chebi:inchi "InChI=1S/C22H27FN4O6S/c23-15-2-1-3-19(8-15)34(30,31)27-11-17(28)12-32-13-21-20(27)5-4-18(33-21)9-22(29)25-10-16-6-7-24-14-26-16/h1-3,6-8,14,17-18,20-21,28H,4-5,9-13H2,(H,25,29)/t17-,18-,20-,21+/m1/s1" ; chebi:inchikey "FPMJOPUHYZGMQU-UKAVVXHISA-N" ; chebi:mass "494.538" ; chebi:monoisotopicmass "494.16353" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2S(=O)(=O)C3=CC=CC(=C3)F)O)O[C@H]1CC(=O)NCC4=NC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102712" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide" . obo:CHEBI_102713 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N5O4" ; chebi:inchi "InChI=1S/C22H29N5O4/c1-14-10-25-15(2)13-31-19-9-16(26-21(28)18-11-23-7-8-24-18)5-6-17(19)22(29)27(3)12-20(14)30-4/h5-9,11,14-15,20,25H,10,12-13H2,1-4H3,(H,26,28)/t14-,15-,20+/m1/s1" ; chebi:inchikey "ORFROPTWDCALKP-SXGZJXTBSA-N" ; chebi:mass "427.498" ; chebi:monoisotopicmass "427.22195" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102713" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102714 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35FN4O6" ; chebi:inchi "InChI=1S/C27H35FN4O6/c1-17-13-32(25(33)16-36-4)18(2)15-38-23-10-9-21(12-22(23)26(34)31(3)14-24(17)37-5)30-27(35)29-20-8-6-7-19(28)11-20/h6-12,17-18,24H,13-16H2,1-5H3,(H2,29,30,35)/t17-,18-,24+/m1/s1" ; chebi:inchikey "ZQFWKBSGTDYKBN-GGUMNFRJSA-N" ; chebi:mass "530.589" ; chebi:monoisotopicmass "530.25406" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102714" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4R,7R,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102715 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H33FN4O5" ; chebi:inchi "InChI=1S/C26H33FN4O5/c1-16-13-31(18(3)32)17(2)15-36-23-12-21(29-26(34)28-20-8-6-7-19(27)11-20)9-10-22(23)25(33)30(4)14-24(16)35-5/h6-12,16-17,24H,13-15H2,1-5H3,(H2,28,29,34)/t16-,17+,24+/m1/s1" ; chebi:inchikey "MGTDWSJKTZULMI-KCYKTTMJSA-N" ; chebi:mass "500.563" ; chebi:monoisotopicmass "500.24350" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102715" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_102716 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C21H29F3N2O4" ; chebi:inchi "InChI=1S/C21H29F3N2O4/c1-25(2)20(28)9-17-7-8-18-19(30-17)13-29-12-16(27)11-26(18)10-14-3-5-15(6-4-14)21(22,23)24/h3-6,16-19,27H,7-13H2,1-2H3/t16-,17+,18-,19+/m0/s1" ; chebi:inchikey "OUTWOBHUWTVFCP-ZSYWTGECSA-N" ; chebi:mass "430.462" ; chebi:monoisotopicmass "430.20794" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2CC3=CC=C(C=C3)C(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102716" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_102717 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18-,20+,21+/m0/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-GDVKCFTOSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102717" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102718 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_100241 ; owl:deprecated true . obo:CHEBI_102719 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; rdfs:subClassOf obo:CHEBI_24373 ; rdfs:subClassOf obo:CHEBI_29347 ; rdfs:subClassOf obo:CHEBI_60783 . _:b249 rdf:type owl:Restriction . obo:CHEBI_102719 rdfs:subClassOf _:b249 . _:b249 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b250 rdf:type owl:Restriction . obo:CHEBI_102719 rdfs:subClassOf _:b250 . _:b250 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_16708 . obo:CHEBI_102719 obo:IAO_0000115 "A nucleoside analogue that is adenosine in which one of the exocyclic amino hydrogens is replaced by a carbamoylmethyl group." ; chebi:charge "0" ; chebi:formula "C12H16N6O4" ; chebi:inchi "InChI=1S/C12H16N6O4/c13-8(21)2-14-11-10-12(16-4-15-11)18(5-17-10)9-1-6(20)7(3-19)22-9/h4-7,9,19-20H,1-3H2,(H2,13,21)(H,14,15,16)/t6-,7+,9+/m0/s1" ; chebi:inchikey "BLGGLLGDRXGJJC-LKEWCRSYSA-N" ; chebi:mass "308.294" ; chebi:monoisotopicmass "308.12330" ; chebi:smiles "N(C=1N=CN=C2C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)C3)CC(=O)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102719" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N(6)-carbamoylmethyl-2'-deoxyadenosine" . obo:CHEBI_10272 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28518 ; owl:deprecated true . obo:CHEBI_102720 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H50N4O5" ; chebi:inchi "InChI=1S/C33H50N4O5/c1-23(2)34-33(40)35-28-15-16-30-29(18-28)32(39)37(25(4)22-38)19-24(3)31(41-17-11-10-12-26(5)42-30)21-36(6)20-27-13-8-7-9-14-27/h7-9,13-16,18,23-26,31,38H,10-12,17,19-22H2,1-6H3,(H2,34,35,40)/t24-,25+,26+,31+/m1/s1" ; chebi:inchikey "SIHQACFNVCTPOW-OLHJXYGRSA-N" ; chebi:mass "582.775" ; chebi:monoisotopicmass "582.37812" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102720" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_102721 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H37N3O4S" ; chebi:inchi "InChI=1S/C27H37N3O4S/c31-22-16-30(17-26-28-10-13-35-26)24-7-6-23(34-25(24)19-33-18-22)15-27(32)29-11-8-21(9-12-29)14-20-4-2-1-3-5-20/h1-5,10,13,21-25,31H,6-9,11-12,14-19H2/t22-,23+,24-,25+/m1/s1" ; chebi:inchikey "XKLJDQDBSRSGED-RCTAOEEJSA-N" ; chebi:mass "499.667" ; chebi:monoisotopicmass "499.25048" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102721" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone" . obo:CHEBI_102722 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H32ClN3O5" ; chebi:inchi "InChI=1S/C26H32ClN3O5/c1-17(18-6-3-2-4-7-18)28-25(32)13-22-10-11-23-24(35-22)16-34-15-21(31)14-30(23)26(33)29-20-9-5-8-19(27)12-20/h2-9,12,17,21-24,31H,10-11,13-16H2,1H3,(H,28,32)(H,29,33)/t17-,21-,22-,23+,24-/m1/s1" ; chebi:inchikey "QYSMODXJNCJWNA-PBBBXTDZSA-N" ; chebi:mass "502.003" ; chebi:monoisotopicmass "501.20305" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102722" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102723 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c33-16-27-29-23(14-21(38-27)15-28(34)31-11-10-18-4-2-1-3-5-18)22-13-20(7-9-24(22)39-29)32-30(35)19-6-8-25-26(12-19)37-17-36-25/h1-9,12-13,21,23,27,29,33H,10-11,14-17H2,(H,31,34)(H,32,35)/t21-,23+,27-,29-/m0/s1" ; chebi:inchikey "WERZBRNJFLNQTM-IOTICUKNSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCCC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102723" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102724 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H24N2O4" ; chebi:inchi "InChI=1S/C18H24N2O4/c21-11-16-15(20-18(23)12-6-7-12)9-8-14(24-16)10-17(22)19-13-4-2-1-3-5-13/h1-5,12,14-16,21H,6-11H2,(H,19,22)(H,20,23)/t14-,15-,16-/m0/s1" ; chebi:inchikey "SOYBDXBXTZOLGY-JYJNAYRXSA-N" ; chebi:mass "332.395" ; chebi:monoisotopicmass "332.17361" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NC2=CC=CC=C2)CO)NC(=O)C3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102724" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide" . obo:CHEBI_102725 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H27FN2O6" ; chebi:inchi "InChI=1S/C24H27FN2O6/c1-31-13-23(30)27-15-6-7-20-17(8-15)18-9-16(32-21(12-28)24(18)33-20)10-22(29)26-11-14-4-2-3-5-19(14)25/h2-8,16,18,21,24,28H,9-13H2,1H3,(H,26,29)(H,27,30)/t16-,18-,21-,24+/m0/s1" ; chebi:inchikey "QLCUJBUUXYDXPU-QFEHNZAHSA-N" ; chebi:mass "458.480" ; chebi:monoisotopicmass "458.18531" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102725" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_102726 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O8" ; chebi:inchi "InChI=1S/C30H30N2O8/c1-36-23-5-3-2-4-18(23)14-31-28(34)13-20-12-22-21-11-19(7-9-24(21)40-29(22)27(15-33)39-20)32-30(35)17-6-8-25-26(10-17)38-16-37-25/h2-11,20,22,27,29,33H,12-16H2,1H3,(H,31,34)(H,32,35)/t20-,22-,27-,29+/m1/s1" ; chebi:inchikey "IQCMSFSSZNINGU-VHGAITISSA-N" ; chebi:mass "546.569" ; chebi:monoisotopicmass "546.20022" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102726" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102727 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H26F3N3O3" ; chebi:inchi "InChI=1S/C23H26F3N3O3/c1-27(2)22(32)20-17(13-30)16-12-29-18(19(16)28(20)11-10-23(24,25)26)9-8-15(21(29)31)14-6-4-3-5-7-14/h3-9,16-17,19-20,30H,10-13H2,1-2H3/t16-,17-,19+,20-/m1/s1" ; chebi:inchikey "LSVFVIWAXGKISN-IZBJGVDFSA-N" ; chebi:mass "449.467" ; chebi:monoisotopicmass "449.19263" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@H]2N1CCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102727" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-phenyl-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102728 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H37N5O5S" ; chebi:inchi "InChI=1S/C30H37N5O5S/c1-20-14-35(21(2)17-36)30(37)29-28(24-12-8-9-13-25(24)34(29)5)23-11-7-6-10-22(23)18-40-26(20)15-33(4)41(38,39)27-16-32(3)19-31-27/h6-13,16,19-21,26,36H,14-15,17-18H2,1-5H3/t20-,21-,26-/m1/s1" ; chebi:inchikey "NRKUZRFIJSCRHL-IPVFLDMMSA-N" ; chebi:mass "579.713" ; chebi:monoisotopicmass "579.25154" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102728" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14074" . obo:CHEBI_102729 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c1-6-25(31)30-15-18(2)24(34-5)16-29(4)27(33)22-13-12-21(14-23(22)35-17-19(30)3)28-26(32)20-10-8-7-9-11-20/h7-14,18-19,24H,6,15-17H2,1-5H3,(H,28,32)/t18-,19+,24-/m1/s1" ; chebi:inchikey "OTFQVXLKCTXKNS-YDIMBITNSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "CCC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102729" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_10273 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15902 ; owl:deprecated true . obo:CHEBI_102730 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H25N3O5S" ; chebi:inchi "InChI=1S/C21H25N3O5S/c1-13-6-4-7-14(10-13)30(28,29)24-17-11-23-16(8-5-9-18(23)26)20(24)19(15(17)12-25)21(27)22(2)3/h4-10,15,17,19-20,25H,11-12H2,1-3H3/t15-,17-,19+,20+/m1/s1" ; chebi:inchikey "DIVLOMPALFPCBT-BEKAIBRUSA-N" ; chebi:mass "431.507" ; chebi:monoisotopicmass "431.15149" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N2[C@@H]3CN4C(=O)C=CC=C4[C@H]2[C@H]([C@@H]3CO)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102730" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14076" . obo:CHEBI_102731 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H34F3N3O5S" ; chebi:inchi "InChI=1S/C22H34F3N3O5S/c1-6-34(30,31)26-17-7-8-19-18(11-17)21(29)27(4)13-20(32-5)15(2)12-28(16(3)14-33-19)10-9-22(23,24)25/h7-8,11,15-16,20,26H,6,9-10,12-14H2,1-5H3/t15-,16+,20+/m0/s1" ; chebi:inchikey "QTXSGNVPDCTZEW-RZQQEMMASA-N" ; chebi:mass "509.585" ; chebi:monoisotopicmass "509.21713" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CCC(F)(F)F)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102731" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102732 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30FN3O6S" ; chebi:inchi "InChI=1S/C21H30FN3O6S/c22-17-4-1-2-5-20(17)32(28,29)24-18-7-6-16(31-19(18)15-26)14-21(27)23-8-3-9-25-10-12-30-13-11-25/h1-2,4-7,16,18-19,24,26H,3,8-15H2,(H,23,27)/t16-,18-,19-/m1/s1" ; chebi:inchikey "XLDWFJCTUAPIOT-BHIYHBOVSA-N" ; chebi:mass "471.545" ; chebi:monoisotopicmass "471.18394" ; chebi:smiles "C1COCCN1CCCNC(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102732" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_102733 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H35N3O6S" ; chebi:inchi "InChI=1S/C29H35N3O6S/c1-20-17-30-21(2)19-37-27-16-22(10-15-26(27)29(33)32(3)18-28(20)36-4)31-39(34,35)25-13-11-24(12-14-25)38-23-8-6-5-7-9-23/h5-16,20-21,28,30-31H,17-19H2,1-4H3/t20-,21+,28-/m1/s1" ; chebi:inchikey "NZYQBFQVYSNMPI-PHVLTXCSSA-N" ; chebi:mass "553.672" ; chebi:monoisotopicmass "553.22466" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102733" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenoxybenzenesulfonamide" . obo:CHEBI_102734 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C22H28ClN3O4S" ; chebi:inchi "InChI=1S/C22H28ClN3O4S/c23-18-4-2-1-3-15(18)10-25-21(28)9-17-5-6-19-20(30-17)14-29-13-16(27)11-26(19)12-22-24-7-8-31-22/h1-4,7-8,16-17,19-20,27H,5-6,9-14H2,(H,25,28)/t16-,17-,19-,20+/m1/s1" ; chebi:inchikey "VRNJYJIECLSBHX-LFGUQSLTSA-N" ; chebi:mass "465.995" ; chebi:monoisotopicmass "465.14891" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)NCC4=CC=CC=C4Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102734" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_102735 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O3S" ; chebi:inchi "InChI=1S/C27H35N3O3S/c1-5-28-26(32)22-16-21-17-30(34(33)27(2,3)4)23(13-14-31)24(21)25(29-22)20-12-8-11-19(15-20)18-9-6-7-10-18/h8-9,11-12,15-16,23,31H,5-7,10,13-14,17H2,1-4H3,(H,28,32)/t23-,34-/m0/s1" ; chebi:inchikey "YCIQMCUMVSMOGA-HUBRWUETSA-N" ; chebi:mass "481.652" ; chebi:monoisotopicmass "481.23991" ; chebi:smiles "CCNC(=O)C1=NC(=C2[C@@H](N(CC2=C1)[S@@](=O)C(C)(C)C)CCO)C3=CC(=CC=C3)C4=CCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102735" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-N-ethyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102736 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c1-18(20-5-3-2-4-6-20)31-28(35)16-22-15-24-23-14-21(32-27(34)13-19-9-11-30-12-10-19)7-8-25(23)37-29(24)26(17-33)36-22/h2-12,14,18,22,24,26,29,33H,13,15-17H2,1H3,(H,31,35)(H,32,34)/t18-,22+,24-,26+,29+/m0/s1" ; chebi:inchikey "XWECZACFMCVSEP-PXEJVSPGSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102736" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102737 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O8S" ; chebi:inchi "InChI=1S/C27H35N3O8S/c1-6-39(33,34)28-20-8-10-22-21(12-20)27(32)29(4)14-25(35-5)17(2)13-30(18(3)15-36-22)26(31)19-7-9-23-24(11-19)38-16-37-23/h7-12,17-18,25,28H,6,13-16H2,1-5H3/t17-,18+,25-/m1/s1" ; chebi:inchikey "UZJARJIYRQCXCT-FUMQJTLXSA-N" ; chebi:mass "561.649" ; chebi:monoisotopicmass "561.21449" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=CC4=C(C=C3)OCO4)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102737" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-[1,3-benzodioxol-5-yl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102738 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C12H25N3O3" ; chebi:inchi "InChI=1S/C12H25N3O3/c1-8(2)14-12(17)15-10-4-3-9(5-6-13)18-11(10)7-16/h8-11,16H,3-7,13H2,1-2H3,(H2,14,15,17)/t9-,10+,11+/m1/s1" ; chebi:inchikey "RKCCKXKETMZMSY-VWYCJHECSA-N" ; chebi:mass "259.346" ; chebi:monoisotopicmass "259.18959" ; chebi:smiles "CC(C)NC(=O)N[C@H]1CC[C@@H](O[C@H]1CO)CCN" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102738" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea" . obo:CHEBI_102739 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H23F2N3O6" ; chebi:inchi "InChI=1S/C23H23F2N3O6/c24-14-2-4-16(25)18(8-14)28-23(31)27-17-5-3-15(34-21(17)11-29)9-22(30)26-10-13-1-6-19-20(7-13)33-12-32-19/h1-8,15,17,21,29H,9-12H2,(H,26,30)(H2,27,28,31)/t15-,17+,21-/m1/s1" ; chebi:inchikey "VZUMNNKKGVSTKF-LDBYXDLTSA-N" ; chebi:mass "475.443" ; chebi:monoisotopicmass "475.15549" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)CNC(=O)C[C@H]3C=C[C@@H]([C@H](O3)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102739" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,3S,6S)-3-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_10274 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36615 ; chebi:charge "0" ; chebi:formula "C30H48O3" ; chebi:inchi "InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1" ; chebi:inchikey "NBSBUIQBEPROBM-IMJUUJEHSA-N" ; chebi:mass "456.701" ; chebi:monoisotopicmass "456.36035" ; chebi:smiles "CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10274" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Elemolic acid" . obo:CHEBI_102740 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21+,23-,25-,27+/m1/s1" ; chebi:inchikey "ISBRQPNQXSURAN-ACIXWCJESA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102740" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102741 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(18(3)31)17(2)15-35-23-11-10-19(28-25(32)20-8-6-7-9-22(20)27)12-21(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,32)/t16-,17+,24-/m0/s1" ; chebi:inchikey "MJQDMCPXEXXQJL-SRGWNRLKSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102741" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide" . obo:CHEBI_102742 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C21H29N3O4" ; chebi:inchi "InChI=1S/C21H29N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-8,13,16-19,25H,9-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18+,19-/m0/s1" ; chebi:inchikey "PBTCYEHOLZFKGG-OTWHNJEPSA-N" ; chebi:mass "387.473" ; chebi:monoisotopicmass "387.21581" ; chebi:smiles "CC(C)NC(=O)N[C@@H]1C=C[C@H](O[C@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102742" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102743 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N3O4" ; chebi:inchi "InChI=1S/C22H32F3N3O4/c1-14(19(32-4)12-27(3)20(30)16-5-6-16)11-28(15(2)13-29)21(31)26-18-9-7-17(8-10-18)22(23,24)25/h7-10,14-16,19,29H,5-6,11-13H2,1-4H3,(H,26,31)/t14-,15+,19-/m1/s1" ; chebi:inchikey "GUZASBNVYSIPQO-ZRGWGRIASA-N" ; chebi:mass "459.503" ; chebi:monoisotopicmass "459.23449" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)C(=O)C2CC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102743" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide" . obo:CHEBI_102744 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H32N2O8" ; chebi:inchi "InChI=1S/C28H32N2O8/c31-14-25-27-21(20-10-18(2-4-22(20)38-27)30-28(33)17-5-7-34-8-6-17)11-19(37-25)12-26(32)29-13-16-1-3-23-24(9-16)36-15-35-23/h1-4,9-10,17,19,21,25,27,31H,5-8,11-15H2,(H,29,32)(H,30,33)/t19-,21-,25+,27+/m1/s1" ; chebi:inchikey "MOISLORHFJLABX-FALQBERWSA-N" ; chebi:mass "524.563" ; chebi:monoisotopicmass "524.21587" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102744" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102745 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H39N3O6" ; chebi:inchi "InChI=1S/C33H39N3O6/c1-22-18-36(31(37)21-40-4)23(2)20-42-29-16-15-27(17-28(29)33(39)35(3)19-30(22)41-5)34-32(38)26-13-11-25(12-14-26)24-9-7-6-8-10-24/h6-17,22-23,30H,18-21H2,1-5H3,(H,34,38)/t22-,23-,30-/m1/s1" ; chebi:inchikey "RAFMLKNPZZMZRA-IQLGONJTSA-N" ; chebi:mass "573.681" ; chebi:monoisotopicmass "573.28389" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102745" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenylbenzamide" . obo:CHEBI_102746 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O4" ; chebi:inchi "InChI=1S/C27H33N3O4/c1-3-29-24-21(15-30-23(24)12-11-20(27(30)33)18-8-4-5-9-18)22(16-31)25(29)26(32)28-14-17-7-6-10-19(13-17)34-2/h6-8,10-13,21-22,24-25,31H,3-5,9,14-16H2,1-2H3,(H,28,32)/t21-,22-,24+,25-/m1/s1" ; chebi:inchikey "NBNQALGKJVWNKP-YQIMAOPZSA-N" ; chebi:mass "463.570" ; chebi:monoisotopicmass "463.24711" ; chebi:smiles "CCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CCCC4)[C@H]([C@@H]1C(=O)NCC5=CC(=CC=C5)OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102746" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-1-ethyl-3-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102747 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-27-16-7-2-4-14(10-16)12-22-20(25)11-17-8-9-18(19(13-24)28-17)23-21(26)15-5-3-6-15/h2,4,7-10,15,17-19,24H,3,5-6,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18-,19+/m0/s1" ; chebi:inchikey "QDYPPDFKKOAHDR-GBESFXJTSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3CCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102747" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide" . obo:CHEBI_102748 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H29F3N4O3" ; chebi:inchi "InChI=1S/C25H29F3N4O3/c26-25(27,28)8-13-31-20-14-32-19(5-4-17(23(32)34)16-6-9-29-10-7-16)22(31)21(18(20)15-33)24(35)30-11-2-1-3-12-30/h4-7,9-10,18,20-22,33H,1-3,8,11-15H2/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "DKHQAGHBVQSALK-YJMBLLCNSA-N" ; chebi:mass "490.519" ; chebi:monoisotopicmass "490.21918" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@@H]2N3CCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102748" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14094" . obo:CHEBI_102749 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H31N3O7S" ; chebi:inchi "InChI=1S/C21H31N3O7S/c1-4-32(27,28)23-14-5-8-18-16(11-14)21(26)24(2)17-7-6-15(31-19(17)13-30-18)12-20(25)22-9-10-29-3/h5,8,11,15,17,19,23H,4,6-7,9-10,12-13H2,1-3H3,(H,22,25)/t15-,17+,19-/m1/s1" ; chebi:inchikey "RVSYYJUWHXUHRD-HHXXYDBFSA-N" ; chebi:mass "469.554" ; chebi:monoisotopicmass "469.18827" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NCCOC)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102749" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_10275 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38382 ; obo:IAO_0000115 "A conjugated linolenic acid having three fully-conjugated double bonds at positions 9, 11 and 13, in cis, trans and trans configurations, respectively." ; chebi:charge "0" ; chebi:formula "C18H30O2" ; chebi:inchi "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7+,10-9-" ; chebi:inchikey "CUXYLFPMQMFGPL-WPOADVJFSA-N" ; chebi:mass "278.42960" ; chebi:monoisotopicmass "278.22458" ; chebi:smiles "CCCC\\C=C\\C=C\\C=C/CCCCCCCC(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10275" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(9Z,11E,13E)-octadeca-9,11,13-trienoic acid" . obo:CHEBI_102750 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H33FN4O4" ; chebi:inchi "InChI=1S/C27H33FN4O4/c1-2-12-29-27(36)32-23-20(21(16-33)24(32)26(35)30-13-4-3-5-14-30)15-31-22(23)11-10-19(25(31)34)17-6-8-18(28)9-7-17/h6-11,20-21,23-24,33H,2-5,12-16H2,1H3,(H,29,36)/t20-,21-,23+,24-/m1/s1" ; chebi:inchikey "VKYOLVDQZLNZRC-CJTFWIGWSA-N" ; chebi:mass "496.575" ; chebi:monoisotopicmass "496.24858" ; chebi:smiles "CCCNC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]([C@@H]1C(=O)N5CCCCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102750" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-2-[oxo(1-piperidinyl)methyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1-carboxamide" . obo:CHEBI_102751 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C24H29N3O6S" ; chebi:inchi "InChI=1S/C24H29N3O6S/c1-33-16-5-3-4-15(10-16)17-8-9-19-22-21(23(29)25-11-14-6-7-14)18(13-28)20(12-26(19)24(17)30)27(22)34(2,31)32/h3-5,8-10,14,18,20-22,28H,6-7,11-13H2,1-2H3,(H,25,29)/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "ZMTYCZRIJUNYPN-VXSCBNMQSA-N" ; chebi:mass "487.571" ; chebi:monoisotopicmass "487.17771" ; chebi:smiles "COC1=CC=CC(=C1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4S(=O)(=O)C)CN3C2=O)CO)C(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102751" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14097" . obo:CHEBI_102752 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C30H36FN3O5" ; chebi:inchi "InChI=1S/C30H36FN3O5/c1-34-25-13-12-22(16-28(35)32-17-20-9-5-6-10-24(20)31)39-27(25)18-38-26-14-11-21(15-23(26)30(34)37)33-29(36)19-7-3-2-4-8-19/h5-6,9-11,14-15,19,22,25,27H,2-4,7-8,12-13,16-18H2,1H3,(H,32,35)(H,33,36)/t22-,25-,27+/m0/s1" ; chebi:inchikey "CEZHWMAQWNYMAY-RIACCQAKSA-N" ; chebi:mass "537.623" ; chebi:monoisotopicmass "537.26390" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCCCC4)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102752" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclohexanecarboxamide" . obo:CHEBI_102753 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H28N6O4" ; chebi:inchi "InChI=1S/C25H28N6O4/c1-29-12-17(27-15-29)10-11-26-24(34)23-19(14-32)18-13-30-20(8-5-9-21(30)33)22(18)31(23)25(35)28-16-6-3-2-4-7-16/h2-9,12,15,18-19,22-23,32H,10-11,13-14H2,1H3,(H,26,34)(H,28,35)/t18-,19-,22+,23-/m0/s1" ; chebi:inchikey "WOLKNTYXBIJULP-LBVMUVSTSA-N" ; chebi:mass "476.529" ; chebi:monoisotopicmass "476.21720" ; chebi:smiles "CN1C=C(N=C1)CCNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@@H]3N2C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102753" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-N2-[2-(1-methyl-4-imidazolyl)ethyl]-6-oxo-N1-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide" . obo:CHEBI_102754 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H38N4O6S" ; chebi:inchi "InChI=1S/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20-,27-/m1/s1" ; chebi:inchikey "HAVPCKYPPPKWEI-SEXOINJZSA-N" ; chebi:mass "594.724" ; chebi:monoisotopicmass "594.25121" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102754" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14100" . obo:CHEBI_102755 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27ClN4O4" ; chebi:inchi "InChI=1S/C22H27ClN4O4/c23-15-4-6-16(7-5-15)26-22(30)27-19-9-8-18(31-20(19)14-28)10-12-25-21(29)13-17-3-1-2-11-24-17/h1-7,11,18-20,28H,8-10,12-14H2,(H,25,29)(H2,26,27,30)/t18-,19+,20+/m1/s1" ; chebi:inchikey "JTIOTWTUDVMQPE-AABGKKOBSA-N" ; chebi:mass "446.928" ; chebi:monoisotopicmass "446.17208" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNC(=O)CC2=CC=CC=N2)CO)NC(=O)NC3=CC=C(C=C3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102755" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6R)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_102756 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C35H48N4O4S" ; chebi:inchi "InChI=1S/C35H48N4O4S/c1-35(2,3)44(42)39-25-29-24-30(34(41)36-16-8-17-38-18-21-43-22-19-38)37-33(32(29)31(39)15-20-40)28-14-7-13-27(23-28)12-6-11-26-9-4-5-10-26/h7,13-14,23-24,26,31,40H,4-5,8-11,15-22,25H2,1-3H3,(H,36,41)/t31-,44?/m0/s1" ; chebi:inchikey "OLTIGOGRQNQZFN-RQPUMPGKSA-N" ; chebi:mass "620.847" ; chebi:monoisotopicmass "620.33963" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C#CCC4CCCC4)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102756" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-tert-butylsulfinyl-4-[3-(3-cyclopentylprop-1-ynyl)phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102757 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-16(2)27-26(33)28-20-10-11-22-21(12-20)25(32)29(5)14-23(34-6)17(3)13-30(18(4)15-35-22)24(31)19-8-7-9-19/h10-12,16-19,23H,7-9,13-15H2,1-6H3,(H2,27,28,33)/t17-,18+,23+/m0/s1" ; chebi:inchikey "FNBLPFIHIJQMKK-YZZKKUAISA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102757" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8S)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_102758 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18+,20-,21-/m0/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-MTOHEIAKSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102758" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102759 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H32N2O5S2" ; chebi:inchi "InChI=1S/C27H32N2O5S2/c1-19-15-29(20(2)17-30)27(31)24-12-7-6-11-23(24)22-10-5-4-9-21(22)18-34-25(19)16-28(3)36(32,33)26-13-8-14-35-26/h4-14,19-20,25,30H,15-18H2,1-3H3/t19-,20+,25-/m1/s1" ; chebi:inchikey "YEGLVGBFCXLPBD-OHUGHZGNSA-N" ; chebi:mass "528.687" ; chebi:monoisotopicmass "528.17526" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CS4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102759" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14105" . obo:CHEBI_10276 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23943 . _:b251 rdf:type owl:Restriction . obo:CHEBI_10276 rdfs:subClassOf _:b251 . _:b251 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_36185 . obo:CHEBI_10276 obo:IAO_0000115 "Ergotaman bearing hydroxy, isopropyl, and 2-methylpropyl groups at the 12', 2' and 5' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. Ergocryptine discussed in the literature prior to 1967, when beta-ergocryptine was separated from alpha-ergocryptine, is now referred to as alpha-ergocryptine." ; chebi:charge "0" ; chebi:formula "C32H41N5O5" ; chebi:inchi "InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1" ; chebi:inchikey "YDOTUXAWKBPQJW-NSLWYYNWSA-N" ; chebi:mass "575.69840" ; chebi:monoisotopicmass "575.31077" ; chebi:smiles "[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](CC(C)C)C(=O)N5CCC[C@@]25[H])C1=O)C(C)C)c34" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10276" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-ergocryptine" . obo:CHEBI_102760 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H29FN2O5" ; chebi:inchi "InChI=1S/C26H29FN2O5/c27-17-6-1-3-15(9-17)13-28-24(31)12-19-11-21-20-10-18(29-26(32)16-4-2-5-16)7-8-22(20)34-25(21)23(14-30)33-19/h1,3,6-10,16,19,21,23,25,30H,2,4-5,11-14H2,(H,28,31)(H,29,32)/t19-,21+,23+,25-/m0/s1" ; chebi:inchikey "OPNBGVGHIKRRPP-VUHNXCBZSA-N" ; chebi:mass "468.518" ; chebi:monoisotopicmass "468.20605" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC(=CC=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102760" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_102761 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F3N5O5" ; chebi:inchi "InChI=1S/C25H32F3N5O5/c1-32-11-18(30-15-32)8-9-29-23(35)10-20-6-7-21-22(38-20)14-37-13-19(34)12-33(21)24(36)31-17-4-2-16(3-5-17)25(26,27)28/h2-5,11,15,19-22,34H,6-10,12-14H2,1H3,(H,29,35)(H,31,36)/t19-,20+,21-,22+/m1/s1" ; chebi:inchikey "TWGHTEGHSVIJBR-MBDNFAEBSA-N" ; chebi:mass "539.548" ; chebi:monoisotopicmass "539.23555" ; chebi:smiles "CN1C=C(N=C1)CCNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)C(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102761" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-3-hydroxy-8-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102762 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H41N3O6" ; chebi:inchi "InChI=1S/C29H41N3O6/c1-32-24-9-8-22(16-27(33)30-17-19-5-3-2-4-6-19)38-26(24)18-37-25-10-7-21(15-23(25)29(32)35)31-28(34)20-11-13-36-14-12-20/h7,10,15,19-20,22,24,26H,2-6,8-9,11-14,16-18H2,1H3,(H,30,33)(H,31,34)/t22-,24-,26-/m1/s1" ; chebi:inchikey "JZXYXAGICCVVHG-QIGHUWCUSA-N" ; chebi:mass "527.653" ; chebi:monoisotopicmass "527.29954" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102762" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102763 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H36FN3O3S" ; chebi:inchi "InChI=1S/C31H36FN3O3S/c1-31(2,3)39(38)35-20-24-19-26(30(37)34-15-5-4-6-16-34)33-29(28(24)27(35)14-17-36)23-9-7-8-22(18-23)21-10-12-25(32)13-11-21/h7-13,18-19,27,36H,4-6,14-17,20H2,1-3H3/t27-,39-/m1/s1" ; chebi:inchikey "OMSQUWKQKRPVCL-GAZSAWIUSA-N" ; chebi:mass "549.701" ; chebi:monoisotopicmass "549.24614" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)F)C(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102763" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone" . obo:CHEBI_102764 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H38N4O6" ; chebi:inchi "InChI=1S/C27H38N4O6/c1-29-9-11-31(12-10-29)25(32)16-20-4-5-22-24(37-20)17-36-23-6-3-19(15-21(23)27(34)30(22)2)28-26(33)18-7-13-35-14-8-18/h3,6,15,18,20,22,24H,4-5,7-14,16-17H2,1-2H3,(H,28,33)/t20-,22+,24-/m0/s1" ; chebi:inchikey "HKYXYLDUIXPRSO-FJIJXJHWSA-N" ; chebi:mass "514.615" ; chebi:monoisotopicmass "514.27913" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102764" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102765 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H34N2O4" ; chebi:inchi "InChI=1S/C27H34N2O4/c1-18-14-29(19(2)16-30)27(32)24-11-7-6-10-23(24)22-9-5-4-8-21(22)17-33-25(18)15-28(3)26(31)20-12-13-20/h4-11,18-20,25,30H,12-17H2,1-3H3/t18-,19+,25-/m1/s1" ; chebi:inchikey "GOHLAUSVLSRLLT-HHJKRLRDSA-N" ; chebi:mass "450.571" ; chebi:monoisotopicmass "450.25186" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4CC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102765" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14111" . obo:CHEBI_102766 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C27H30Cl2N2O5" ; chebi:inchi "InChI=1S/C27H30Cl2N2O5/c28-20-9-19(10-21(29)11-20)27(34)31-14-22(32)15-35-16-25-24(31)6-5-23(36-25)12-26(33)30-8-7-17-3-1-2-4-18(17)13-30/h1-4,9-11,22-25,32H,5-8,12-16H2/t22-,23-,24-,25+/m0/s1" ; chebi:inchikey "RFSVTUPSJXWLCE-OJJQZRKESA-N" ; chebi:mass "533.444" ; chebi:monoisotopicmass "532.15318" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O)O[C@@H]1CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102766" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_102767 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26F3N5O4" ; chebi:inchi "InChI=1S/C20H26F3N5O4/c1-31-12-15-10-28(27-26-15)9-8-16-6-7-17(18(11-29)32-16)25-19(30)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,10,16-18,29H,6-9,11-12H2,1H3,(H2,24,25,30)/t16-,17-,18-/m0/s1" ; chebi:inchikey "ZOURSNKVQGBTHH-BZSNNMDCSA-N" ; chebi:mass "457.448" ; chebi:monoisotopicmass "457.19369" ; chebi:smiles "COCC1=CN(N=N1)CC[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102767" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_102768 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H35N3O4" ; chebi:inchi "InChI=1S/C25H35N3O4/c1-26(2)25(31)22-19(15-29)21-14-28-20(8-7-18(24(28)30)17-5-3-4-6-17)23(22)27(21)13-16-9-11-32-12-10-16/h5,7-8,16,19,21-23,29H,3-4,6,9-15H2,1-2H3/t19-,21-,22+,23+/m0/s1" ; chebi:inchikey "GAIIVBPAQZZTRV-KZKAQZJJSA-N" ; chebi:mass "441.564" ; chebi:monoisotopicmass "441.26276" ; chebi:smiles "CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@H]1N2CC5CCOCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102768" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14114" . obo:CHEBI_102769 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C36H40N4O4S" ; chebi:inchi "InChI=1S/C36H40N4O4S/c1-36(2,3)45(44)40-23-29-21-30(34(42)37-22-24-10-7-6-8-11-24)38-33(32(29)31(40)18-19-41)28-13-9-12-27(20-28)25-14-16-26(17-15-25)35(43)39(4)5/h6-17,20-21,31,41H,18-19,22-23H2,1-5H3,(H,37,42)/t31-,45-/m1/s1" ; chebi:inchikey "WJAYFAVILWHXQO-OJFHYHFNSA-N" ; chebi:mass "624.795" ; chebi:monoisotopicmass "624.27703" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102769" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10277 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27674 ; owl:deprecated true . obo:CHEBI_102770 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c32-17-24-26-22(14-20(35-24)15-25(33)29-9-12-31-10-2-1-3-11-31)21-13-19(6-7-23(21)36-26)30-27(34)18-5-4-8-28-16-18/h4-8,13,16,20,22,24,26,32H,1-3,9-12,14-15,17H2,(H,29,33)(H,30,34)/t20-,22+,24+,26-/m1/s1" ; chebi:inchikey "SWOCEPZEXMNKQZ-GRTAZNFBSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102770" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_102771 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C29H35N3O3" ; chebi:inchi "InChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-24(25)20-35-28(21)18-31(3)17-23-12-14-30-15-13-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22+,28-/m0/s1" ; chebi:inchikey "KEOFNYFHDQHRAV-TYPXCFOJSA-N" ; chebi:mass "473.608" ; chebi:monoisotopicmass "473.26784" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102771" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14117" . obo:CHEBI_102772 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H34N2O6" ; chebi:inchi "InChI=1S/C31H34N2O6/c34-25-17-33(16-21-6-13-28-29(14-21)38-20-37-28)27-12-11-26(39-30(27)19-36-18-25)15-31(35)32-24-9-7-23(8-10-24)22-4-2-1-3-5-22/h1-10,13-14,25-27,30,34H,11-12,15-20H2,(H,32,35)/t25-,26+,27-,30+/m0/s1" ; chebi:inchikey "OJBHRHOQEWVARJ-DEJVGURISA-N" ; chebi:mass "530.613" ; chebi:monoisotopicmass "530.24169" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=CC4=C(C=C3)OCO4)O)O[C@H]1CC(=O)NC5=CC=C(C=C5)C6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102772" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_102773 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C21H26N2O6" ; chebi:inchi "InChI=1S/C21H26N2O6/c24-12-19-16(22-21(26)14-4-7-17-18(10-14)28-13-27-17)6-5-15(29-19)11-20(25)23-8-2-1-3-9-23/h4-7,10,15-16,19,24H,1-3,8-9,11-13H2,(H,22,26)/t15-,16-,19-/m1/s1" ; chebi:inchikey "ZKMZGYJTUFHVCC-GPMSIDNRSA-N" ; chebi:mass "402.442" ; chebi:monoisotopicmass "402.17909" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102773" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102774 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O6" ; chebi:inchi "InChI=1S/C27H35N3O6/c1-17-14-30(19(3)31)18(2)16-36-24-13-20(28-26(32)21-9-7-8-10-23(21)34-5)11-12-22(24)27(33)29(4)15-25(17)35-6/h7-13,17-18,25H,14-16H2,1-6H3,(H,28,32)/t17-,18-,25-/m0/s1" ; chebi:inchikey "NNPXJSNOAUXSRD-RPPIVITFSA-N" ; chebi:mass "497.584" ; chebi:monoisotopicmass "497.25259" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102774" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxybenzamide" . obo:CHEBI_102775 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H31N3O6" ; chebi:inchi "InChI=1S/C21H31N3O6/c1-23(2)20(26)10-17-7-8-18-19(30-17)13-29-12-15(25)11-24(18)21(27)22-14-5-4-6-16(9-14)28-3/h4-6,9,15,17-19,25H,7-8,10-13H2,1-3H3,(H,22,27)/t15-,17+,18+,19-/m0/s1" ; chebi:inchikey "SSPYWNJKRFMGCQ-AITUJVMLSA-N" ; chebi:mass "421.488" ; chebi:monoisotopicmass "421.22129" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2C(=O)NC3=CC(=CC=C3)OC)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102775" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8R,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102776 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H32F3N3O3" ; chebi:inchi "InChI=1S/C24H32F3N3O3/c1-16(23(33-4)14-29(3)13-18-11-20(26)7-10-22(18)27)12-30(17(2)15-31)24(32)28-21-8-5-19(25)6-9-21/h5-11,16-17,23,31H,12-15H2,1-4H3,(H,28,32)/t16-,17-,23-/m1/s1" ; chebi:inchikey "FEKMHVLVYAIVTJ-SEPYTNNBSA-N" ; chebi:mass "467.525" ; chebi:monoisotopicmass "467.23958" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102776" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_102777 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O6" ; chebi:inchi "InChI=1S/C28H29N3O6/c1-35-23-7-3-2-5-17(23)15-30-26(33)13-20-12-22-21-11-19(31-28(34)18-6-4-10-29-14-18)8-9-24(21)37-27(22)25(16-32)36-20/h2-11,14,20,22,25,27,32H,12-13,15-16H2,1H3,(H,30,33)(H,31,34)/t20-,22+,25+,27-/m0/s1" ; chebi:inchikey "FJJBSMMGLKBUIQ-JBGAWVPVSA-N" ; chebi:mass "503.547" ; chebi:monoisotopicmass "503.20564" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102777" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_102778 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H37FN4O6S" ; chebi:inchi "InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25+,27+/m1/s1" ; chebi:inchikey "TUUZOQPHVDGSNW-PWMMPXSUSA-N" ; chebi:mass "588.693" ; chebi:monoisotopicmass "588.24178" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102778" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102779 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28FN3O6" ; chebi:inchi "InChI=1S/C25H28FN3O6/c26-19-3-1-2-4-20(19)28-25(32)27-15-5-6-21-17(11-15)18-12-16(34-22(14-30)24(18)35-21)13-23(31)29-7-9-33-10-8-29/h1-6,11,16,18,22,24,30H,7-10,12-14H2,(H2,27,28,32)/t16-,18+,22-,24-/m0/s1" ; chebi:inchikey "RREKHFLFIWGNNG-YDGOEMPPSA-N" ; chebi:mass "485.506" ; chebi:monoisotopicmass "485.19621" ; chebi:smiles "C1COCCN1C(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102779" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(2-fluorophenyl)urea" . obo:CHEBI_10278 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_138397 ; rdfs:subClassOf obo:CHEBI_26878 ; rdfs:subClassOf obo:CHEBI_62508 . _:b252 rdf:type owl:Restriction . obo:CHEBI_10278 rdfs:subClassOf _:b252 . _:b252 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_27311 . obo:CHEBI_10278 obo:IAO_0000115 "A eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-3 and C-4." ; chebi:charge "0" ; chebi:formula "C15H26O" ; chebi:inchi "InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15-/m1/s1" ; chebi:inchikey "FCSRUSQUAVXUKK-VNHYZAJKSA-N" ; chebi:mass "222.36630" ; chebi:monoisotopicmass "222.19837" ; chebi:smiles "[H][C@@]12C[C@@H](CC[C@@]1(C)CCC=C2C)C(C)(C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10278" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-eudesmol" . obo:CHEBI_102780 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-15-12-25(3)16(2)14-30-20-10-9-18(24-22(27)17-7-6-8-17)11-19(20)23(28)26(4)13-21(15)29-5/h9-11,15-17,21H,6-8,12-14H2,1-5H3,(H,24,27)/t15-,16+,21+/m1/s1" ; chebi:inchikey "IMTXHMNNEPVREU-XFQAVAEZSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102780" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_102781 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C34H36F2N4O5" ; chebi:inchi "InChI=1S/C34H36F2N4O5/c1-39-29-11-9-25(17-32(41)37-24-13-14-40(19-24)18-21-5-3-2-4-6-21)45-31(29)20-44-30-12-8-23(16-26(30)34(39)43)38-33(42)22-7-10-27(35)28(36)15-22/h2-8,10,12,15-16,24-25,29,31H,9,11,13-14,17-20H2,1H3,(H,37,41)(H,38,42)/t24-,25-,29+,31+/m1/s1" ; chebi:inchikey "UWMJOJNRDSZDAZ-JUTMGGSISA-N" ; chebi:mass "618.672" ; chebi:monoisotopicmass "618.26538" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102781" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_102782 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H24ClN3O5S" ; chebi:inchi "InChI=1S/C20H24ClN3O5S/c21-14-4-7-16(8-5-14)30(27,28)23-12-10-15-6-9-17(19(13-25)29-15)24-20(26)18-3-1-2-11-22-18/h1-5,7-8,11,15,17,19,23,25H,6,9-10,12-13H2,(H,24,26)/t15-,17-,19+/m0/s1" ; chebi:inchikey "VBSGUKREVIUPDG-VDZJLULYSA-N" ; chebi:mass "453.941" ; chebi:monoisotopicmass "453.11252" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102782" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_102783 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33N3O5S" ; chebi:inchi "InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-38-29(21)18-32(3)39(36,37)25-11-8-9-23(15-25)16-31/h4-15,21-22,29,34H,17-20H2,1-3H3/t21-,22-,29+/m1/s1" ; chebi:inchikey "RWOMJVAVZPFCIF-QLVXXPONSA-N" ; chebi:mass "547.667" ; chebi:monoisotopicmass "547.21409" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102783" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14129" . obo:CHEBI_102784 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H33N3O5S" ; chebi:inchi "InChI=1S/C20H33N3O5S/c1-15-5-8-17(9-6-15)29(26,27)22-18-10-7-16(28-19(18)14-24)13-20(25)21-11-4-12-23(2)3/h5-6,8-9,16,18-19,22,24H,4,7,10-14H2,1-3H3,(H,21,25)/t16-,18-,19+/m0/s1" ; chebi:inchikey "ZAZOOTZCNDNOOW-YTQUADARSA-N" ; chebi:mass "427.560" ; chebi:monoisotopicmass "427.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102784" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_102785 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H34N6O4S" ; chebi:inchi "InChI=1S/C30H34N6O4S/c1-19-14-36(15-21-12-31-18-32-13-21)20(2)17-40-25-10-9-22(11-23(25)30(38)35(3)16-26(19)39-4)33-28(37)29-34-24-7-5-6-8-27(24)41-29/h5-13,18-20,26H,14-17H2,1-4H3,(H,33,37)/t19-,20-,26-/m0/s1" ; chebi:inchikey "AMMFZKQUXZGGMQ-DYLHXGEVSA-N" ; chebi:mass "574.696" ; chebi:monoisotopicmass "574.23622" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CN=CN=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102785" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_102786 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34N4O5" ; chebi:inchi "InChI=1S/C26H34N4O5/c1-17-14-30(25(32)13-20-8-6-7-11-27-20)18(2)16-35-23-12-21(28-19(3)31)9-10-22(23)26(33)29(4)15-24(17)34-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,28,31)/t17-,18+,24-/m0/s1" ; chebi:inchikey "CZFNYPFIGBHAGJ-RHGYRFJNSA-N" ; chebi:mass "482.573" ; chebi:monoisotopicmass "482.25292" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102786" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_102787 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN4O5" ; chebi:inchi "InChI=1S/C21H27FN4O5/c1-12-19(13(2)31-26-12)25-21(29)23-10-9-16-7-8-17(18(11-27)30-16)24-20(28)14-3-5-15(22)6-4-14/h3-6,16-18,27H,7-11H2,1-2H3,(H,24,28)(H2,23,25,29)/t16-,17+,18+/m0/s1" ; chebi:inchikey "VZLRHERICGIZBB-RCCFBDPRSA-N" ; chebi:mass "434.462" ; chebi:monoisotopicmass "434.19655" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NCC[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102787" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide" . obo:CHEBI_102788 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H33Cl2N3O3" ; chebi:inchi "InChI=1S/C24H33Cl2N3O3/c1-17(13-29(18(2)16-30)14-19-7-5-6-8-22(19)26)23(32-4)15-28(3)24(31)27-21-11-9-20(25)10-12-21/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,27,31)/t17-,18-,23+/m1/s1" ; chebi:inchikey "REZGKQRSIIUNQT-PNCHPQGNSA-N" ; chebi:mass "482.444" ; chebi:monoisotopicmass "481.18990" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)C(=O)NC2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102788" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-chlorophenyl)-1-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methylurea" . obo:CHEBI_102789 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H28FN5O3" ; chebi:inchi "InChI=1S/C20H28FN5O3/c1-2-9-22-20(28)23-17-7-6-16(29-19(17)13-27)8-10-26-12-18(24-25-26)14-4-3-5-15(21)11-14/h3-5,11-12,16-17,19,27H,2,6-10,13H2,1H3,(H2,22,23,28)/t16-,17-,19-/m1/s1" ; chebi:inchikey "BSYBIQMXMHXRRQ-ZHALLVOQSA-N" ; chebi:mass "405.467" ; chebi:monoisotopicmass "405.21762" ; chebi:smiles "CCCNC(=O)N[C@@H]1CC[C@@H](O[C@@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102789" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea" . obo:CHEBI_102790 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36N4O4" ; chebi:inchi "InChI=1S/C32H36N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(26-11-7-8-12-27(26)35(30)4)25-10-6-5-9-24(25)20-40-28(21)18-34(3)31(38)23-13-15-33-16-14-23/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22-,28-/m0/s1" ; chebi:inchikey "BXWHKXPVJGEBOL-VPYPWEPUSA-N" ; chebi:mass "540.654" ; chebi:monoisotopicmass "540.27366" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4=CC=NC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102790" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14136" . obo:CHEBI_102791 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C19H19N3O3" ; chebi:inchi "InChI=1S/C19H19N3O3/c1-25-12-18(24)22-16(9-20)19(17(22)11-23)14-6-4-13(5-7-14)15-3-2-8-21-10-15/h2-8,10,16-17,19,23H,11-12H2,1H3/t16-,17-,19-/m0/s1" ; chebi:inchikey "NONDGOMIDWLUNU-LNLFQRSKSA-N" ; chebi:mass "337.373" ; chebi:monoisotopicmass "337.14264" ; chebi:smiles "COCC(=O)N1[C@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CN=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102791" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_102792 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30F2N4O4" ; chebi:inchi "InChI=1S/C24H30F2N4O4/c1-14-11-27-15(2)13-34-21-8-6-17(10-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-20-9-16(25)5-7-19(20)26/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15-,22-/m0/s1" ; chebi:inchikey "KJNJKXAQFIYZGQ-DFFLPILJSA-N" ; chebi:mass "476.517" ; chebi:monoisotopicmass "476.22351" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102792" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102793 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C32H37N3O6" ; chebi:inchi "InChI=1S/C32H37N3O6/c1-21-18-35(23(3)36)22(2)20-40-29-16-13-25(17-28(29)32(38)34(4)19-30(21)39-5)33-31(37)24-11-14-27(15-12-24)41-26-9-7-6-8-10-26/h6-17,21-22,30H,18-20H2,1-5H3,(H,33,37)/t21-,22-,30-/m1/s1" ; chebi:inchikey "JEUTXNUWCDUCFH-NPKFRGRUSA-N" ; chebi:mass "559.654" ; chebi:monoisotopicmass "559.26824" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102793" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenoxybenzamide" . obo:CHEBI_102794 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H32FN3O3S" ; chebi:inchi "InChI=1S/C28H32FN3O3S/c1-5-30-27(34)23-16-21-17-32(36(35)28(2,3)4)24(12-13-33)25(21)26(31-23)20-10-6-8-18(14-20)19-9-7-11-22(29)15-19/h6-11,14-16,24,33H,5,12-13,17H2,1-4H3,(H,30,34)/t24-,36-/m0/s1" ; chebi:inchikey "NQAKFRRPCXCRFS-TVYQXRCNSA-N" ; chebi:mass "509.638" ; chebi:monoisotopicmass "509.21484" ; chebi:smiles "CCNC(=O)C1=NC(=C2[C@@H](N(CC2=C1)[S@@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102794" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-N-ethyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102795 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b253 rdf:type owl:Restriction . obo:CHEBI_102795 rdfs:subClassOf _:b253 . _:b253 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_102795 chebi:charge "0" ; chebi:formula "C28H29N3O3" ; chebi:inchi "InChI=1S/C28H29N3O3/c1-18(20-10-6-3-7-11-20)29-27(33)25-22(17-32)23-16-31-24(26(25)30-23)15-14-21(28(31)34)13-12-19-8-4-2-5-9-19/h2-15,18,22-23,25-26,30,32H,16-17H2,1H3,(H,29,33)/t18-,22+,23+,25-,26-/m0/s1" ; chebi:inchikey "FIIWKRFZHSLQJE-TXXKVYMASA-N" ; chebi:mass "455.549" ; chebi:monoisotopicmass "455.22089" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C=CC5=CC=CC=C5)[C@@H]2N3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102795" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14141" . obo:CHEBI_102796 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C21H26N2O6" ; chebi:inchi "InChI=1S/C21H26N2O6/c24-12-19-16(22-21(26)14-4-7-17-18(10-14)28-13-27-17)6-5-15(29-19)11-20(25)23-8-2-1-3-9-23/h4-7,10,15-16,19,24H,1-3,8-9,11-13H2,(H,22,26)/t15-,16+,19+/m0/s1" ; chebi:inchikey "ZKMZGYJTUFHVCC-FRQCXROJSA-N" ; chebi:mass "402.442" ; chebi:monoisotopicmass "402.17909" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102796" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102797 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H27ClF3N3O5" ; chebi:inchi "InChI=1S/C29H27ClF3N3O5/c30-18-5-1-16(2-6-18)14-34-26(38)13-21-12-23-22-11-20(9-10-24(22)41-27(23)25(15-37)40-21)36-28(39)35-19-7-3-17(4-8-19)29(31,32)33/h1-11,21,23,25,27,37H,12-15H2,(H,34,38)(H2,35,36,39)/t21-,23-,25-,27+/m1/s1" ; chebi:inchikey "QUFPSNAFNYGAMM-UFUIAINPSA-N" ; chebi:mass "589.991" ; chebi:monoisotopicmass "589.15913" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102797" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_102798 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H33N3O4S2" ; chebi:inchi "InChI=1S/C21H33N3O4S2/c1-16-6-8-19(9-7-16)30(26,27)24(18(3)15-25)12-17(2)20(28-5)13-23(4)14-21-22-10-11-29-21/h6-11,17-18,20,25H,12-15H2,1-5H3/t17-,18-,20-/m0/s1" ; chebi:inchikey "APKXKRHWPGHKNH-BJLQDIEVSA-N" ; chebi:mass "455.637" ; chebi:monoisotopicmass "455.19125" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@H](CN(C)CC2=NC=CS2)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102798" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]-4-methylbenzenesulfonamide" . obo:CHEBI_102799 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H24FN3O6S" ; chebi:inchi "InChI=1S/C22H24FN3O6S/c23-15-4-1-2-6-18(15)33(30,31)26-17-12-25-16(5-3-7-19(25)28)21(26)20(14(17)13-27)22(29)24-8-10-32-11-9-24/h1-7,14,17,20-21,27H,8-13H2/t14-,17-,20+,21+/m0/s1" ; chebi:inchikey "YMYITTQDNPCSPN-JGMDCFHESA-N" ; chebi:mass "477.508" ; chebi:monoisotopicmass "477.13698" ; chebi:smiles "C1COCCN1C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3S(=O)(=O)C5=CC=CC=C5F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102799" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14145" . obo:CHEBI_1028 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16413 ; owl:deprecated true . obo:CHEBI_10280 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39236 ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+" ; chebi:inchikey "CXENHBSYCFFKJS-VDQVFBMKSA-N" ; chebi:mass "204.35106" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "CC(C)=CCC\\C(C)=C\\C\\C=C(/C)C=C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10280" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(E,E)-alpha-farnesene" . obo:CHEBI_102800 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H34FN3O3S" ; chebi:inchi "InChI=1S/C29H34FN3O3S/c1-5-14-31-28(35)24-17-22-18-33(37(36)29(2,3)4)25(13-15-34)26(22)27(32-24)21-8-6-7-20(16-21)19-9-11-23(30)12-10-19/h6-12,16-17,25,34H,5,13-15,18H2,1-4H3,(H,31,35)/t25-,37-/m1/s1" ; chebi:inchikey "HVPPUANJBVTFMA-TWEZTRHFSA-N" ; chebi:mass "523.664" ; chebi:monoisotopicmass "523.23049" ; chebi:smiles "CCCNC(=O)C1=NC(=C2[C@H](N(CC2=C1)[S@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102800" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102801 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN2O6S2" ; chebi:inchi "InChI=1S/C21H27FN2O6S2/c22-17-6-9-19(10-7-17)32(28,29)24-20-11-8-18(30-21(20)14-25)12-13-23-31(26,27)15-16-4-2-1-3-5-16/h1-7,9-10,18,20-21,23-25H,8,11-15H2/t18-,20+,21+/m0/s1" ; chebi:inchikey "ZTKNNPSVJPUDLJ-CEWLAPEOSA-N" ; chebi:mass "486.580" ; chebi:monoisotopicmass "486.12946" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102801" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_102802 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H37N3O5S" ; chebi:inchi "InChI=1S/C26H37N3O5S/c1-6-14-29-16-19(2)25(33-5)17-28(4)26(30)23-15-21(12-13-24(23)34-18-20(29)3)27-35(31,32)22-10-8-7-9-11-22/h7-13,15,19-20,25,27H,6,14,16-18H2,1-5H3/t19-,20-,25+/m0/s1" ; chebi:inchikey "HWYKCLATECFWDF-ZYLNGJIFSA-N" ; chebi:mass "503.656" ; chebi:monoisotopicmass "503.24539" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102802" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_102803 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32FN3O5S" ; chebi:inchi "InChI=1S/C23H32FN3O5S/c1-17(22(32-4)15-26(3)33(30,31)19-10-6-5-7-11-19)14-27(18(2)16-28)23(29)25-21-13-9-8-12-20(21)24/h5-13,17-18,22,28H,14-16H2,1-4H3,(H,25,29)/t17-,18-,22+/m1/s1" ; chebi:inchikey "PETXHQBGDUFNPW-HMFYCAOWSA-N" ; chebi:mass "481.583" ; chebi:monoisotopicmass "481.20467" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102803" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[benzenesulfonyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_102804 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C25H37FN2O4" ; chebi:inchi "InChI=1S/C25H37FN2O4/c26-20-8-6-18(7-9-20)13-27-25(30)12-22-10-11-23-24(32-22)17-31-16-21(29)15-28(23)14-19-4-2-1-3-5-19/h6-9,19,21-24,29H,1-5,10-17H2,(H,27,30)/t21-,22-,23+,24-/m1/s1" ; chebi:inchikey "CEWCLCSAKAWIOS-JLLPCOHGSA-N" ; chebi:mass "448.572" ; chebi:monoisotopicmass "448.27374" ; chebi:smiles "C1CCC(CC1)CN2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102804" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-(cyclohexylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_102805 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30N2O7S" ; chebi:inchi "InChI=1S/C25H30N2O7S/c1-32-17-5-7-19(8-6-17)35(30,31)27-16-4-9-22-20(10-16)21-11-18(33-23(14-28)25(21)34-22)12-24(29)26-13-15-2-3-15/h4-10,15,18,21,23,25,27-28H,2-3,11-14H2,1H3,(H,26,29)/t18-,21+,23+,25-/m1/s1" ; chebi:inchikey "UYFCGOQSYKFWAJ-PEHPGLIYSA-N" ; chebi:mass "502.582" ; chebi:monoisotopicmass "502.17737" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102805" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_102806 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H30N2O7" ; chebi:inchi "InChI=1S/C29H30N2O7/c32-17-27-24(31-29(34)20-8-13-25-26(14-20)36-18-35-25)12-11-23(38-27)15-28(33)30-16-19-6-9-22(10-7-19)37-21-4-2-1-3-5-21/h1-10,13-14,23-24,27,32H,11-12,15-18H2,(H,30,33)(H,31,34)/t23-,24-,27+/m1/s1" ; chebi:inchikey "IKYPBPDRSBKALY-OASJLCFRSA-N" ; chebi:mass "518.559" ; chebi:monoisotopicmass "518.20530" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102806" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102807 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23+,26-,28+/m0/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-RGBPKTGBSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102807" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102808 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O5S" ; chebi:inchi "InChI=1S/C24H33N3O5S/c1-17-13-25-18(2)15-32-22-11-10-20(12-21(22)24(28)27(3)14-23(17)31-4)26-33(29,30)16-19-8-6-5-7-9-19/h5-12,17-18,23,25-26H,13-16H2,1-4H3/t17-,18-,23+/m0/s1" ; chebi:inchikey "ITUDOLAPOXZKHG-IUKKYPGJSA-N" ; chebi:mass "475.603" ; chebi:monoisotopicmass "475.21409" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102808" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide" . obo:CHEBI_102809 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C27H29F2N3O6" ; chebi:inchi "InChI=1S/C27H29F2N3O6/c1-31-22-6-4-18(14-25(33)32-8-10-36-11-9-32)38-24(22)15-37-23-7-3-17(13-19(23)27(31)35)30-26(34)16-2-5-20(28)21(29)12-16/h2-3,5,7,12-13,18,22,24H,4,6,8-11,14-15H2,1H3,(H,30,34)/t18-,22+,24+/m1/s1" ; chebi:inchikey "RISZPRWRWDPXQV-OUOWLKGYSA-N" ; chebi:mass "529.533" ; chebi:monoisotopicmass "529.20244" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102809" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_10281 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28554 ; owl:deprecated true . obo:CHEBI_102810 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H28N4O5" ; chebi:inchi "InChI=1S/C27H28N4O5/c1-36-16-23(33)31-22-14-30-21(11-10-19(27(30)35)17-7-3-2-4-8-17)25(31)24(20(22)15-32)26(34)29-13-18-9-5-6-12-28-18/h2-12,20,22,24-25,32H,13-16H2,1H3,(H,29,34)/t20-,22-,24+,25+/m1/s1" ; chebi:inchikey "YNLXOCAZEKAELA-KAKDDGLXSA-N" ; chebi:mass "488.536" ; chebi:monoisotopicmass "488.20597" ; chebi:smiles "COCC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102810" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14156" . obo:CHEBI_102811 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H39N3O5" ; chebi:inchi "InChI=1S/C28H39N3O5/c1-30-18-24-23(34-3)11-10-21(36-24)12-15-35-26-20(17-29)8-7-9-22(26)27(33)31(2)19-28(16-25(30)32)13-5-4-6-14-28/h7-9,21,23-24H,4-6,10-16,18-19H2,1-3H3/t21-,23+,24-/m1/s1" ; chebi:inchikey "NNLRSZHLKPFWRY-YFNKSVMNSA-N" ; chebi:mass "497.627" ; chebi:monoisotopicmass "497.28897" ; chebi:smiles "CN1C[C@@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(CC4(CCCCC4)CC1=O)C)C#N)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102811" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14157" . obo:CHEBI_102812 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H45N3O4" ; chebi:inchi "InChI=1S/C29H45N3O4/c1-20-16-32(17-22-9-6-5-7-10-22)21(2)19-36-26-15-24(30-28(33)23-11-8-12-23)13-14-25(26)29(34)31(3)18-27(20)35-4/h13-15,20-23,27H,5-12,16-19H2,1-4H3,(H,30,33)/t20-,21+,27-/m0/s1" ; chebi:inchikey "ZYUAJIZJWFLNII-ISCCLHIJSA-N" ; chebi:mass "499.686" ; chebi:monoisotopicmass "499.34101" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)CC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102812" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_102813 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-16-32(21(2)18-33)28(34)25-13-8-7-12-24(25)23-11-6-5-10-22(23)19-36-27(20)17-31(4)29(35)26-14-9-15-30(26)3/h5-8,10-13,20-21,26-27,33H,9,14-19H2,1-4H3/t20-,21-,26-,27-/m1/s1" ; chebi:inchikey "PIMBJQHAALXIRA-RLKINFHOSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H]4CCCN4C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102813" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14159" . obo:CHEBI_102814 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O5" ; chebi:inchi "InChI=1S/C27H32N2O5/c30-16-24-26-22(14-20(33-24)15-25(31)28-12-11-17-5-2-1-3-6-17)21-13-19(9-10-23(21)34-26)29-27(32)18-7-4-8-18/h1-3,5-6,9-10,13,18,20,22,24,26,30H,4,7-8,11-12,14-16H2,(H,28,31)(H,29,32)/t20-,22+,24-,26-/m1/s1" ; chebi:inchikey "XBPCNRNKOXKUQA-FWSIMYTDSA-N" ; chebi:mass "464.554" ; chebi:monoisotopicmass "464.23112" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102814" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_102815 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H35N3O6S" ; chebi:inchi "InChI=1S/C23H35N3O6S/c1-17-5-3-4-6-22(17)33(29,30)26-14-18(27)15-31-16-21-20(26)8-7-19(32-21)13-23(28)25-11-9-24(2)10-12-25/h3-6,18-21,27H,7-16H2,1-2H3/t18-,19+,20+,21-/m0/s1" ; chebi:inchikey "AEYAMMVRWLJFNH-BQJUDKOJSA-N" ; chebi:mass "481.607" ; chebi:monoisotopicmass "481.22466" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCN(CC4)C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102815" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_102816 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H36FN3O5" ; chebi:inchi "InChI=1S/C23H36FN3O5/c1-16(21(31-4)14-26(3)22(29)18-9-11-32-12-10-18)13-27(17(2)15-28)23(30)25-20-7-5-19(24)6-8-20/h5-8,16-18,21,28H,9-15H2,1-4H3,(H,25,30)/t16-,17+,21+/m0/s1" ; chebi:inchikey "OIIKGOKDOCINHJ-CSODHUTKSA-N" ; chebi:mass "453.548" ; chebi:monoisotopicmass "453.26390" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102816" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_102817 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H30FN3O5" ; chebi:inchi "InChI=1S/C21H30FN3O5/c22-16-3-1-2-15(10-16)12-23-20(27)11-17-4-5-18(19(14-26)30-17)24-21(28)13-25-6-8-29-9-7-25/h1-3,10,17-19,26H,4-9,11-14H2,(H,23,27)(H,24,28)/t17-,18-,19-/m1/s1" ; chebi:inchikey "ZEQYNXCYKJRRAG-GUDVDZBRSA-N" ; chebi:mass "423.479" ; chebi:monoisotopicmass "423.21695" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CC(=O)NCC2=CC(=CC=C2)F)CO)NC(=O)CN3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102817" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102818 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H25FN4O5" ; chebi:inchi "InChI=1S/C24H25FN4O5/c25-18-4-2-1-3-17(18)20-12-29(28-27-20)10-9-16-6-7-19(23(13-30)34-16)26-24(31)15-5-8-21-22(11-15)33-14-32-21/h1-5,8,11-12,16,19,23,30H,6-7,9-10,13-14H2,(H,26,31)/t16-,19+,23-/m1/s1" ; chebi:inchikey "RQZDEGSLOUOYBH-BVZALQNUSA-N" ; chebi:mass "468.478" ; chebi:monoisotopicmass "468.18090" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCN2C=C(N=N2)C3=CC=CC=C3F)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102818" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102819 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C27H29N3O4" ; chebi:inchi "InChI=1S/C27H29N3O4/c31-18-25-24(30-26(32)15-19-5-4-14-28-17-19)13-12-23(34-25)16-27(33)29-22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-11,14,17,23-25,31H,12-13,15-16,18H2,(H,29,33)(H,30,32)/t23-,24-,25-/m0/s1" ; chebi:inchikey "JZSLTRUJUOZFGD-SDHOMARFSA-N" ; chebi:mass "459.538" ; chebi:monoisotopicmass "459.21581" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)CO)NC(=O)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102819" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_102820 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H39N3O5" ; chebi:inchi "InChI=1S/C28H39N3O5/c1-30-18-24-23(34-3)11-10-21(36-24)12-15-35-26-20(17-29)8-7-9-22(26)27(33)31(2)19-28(16-25(30)32)13-5-4-6-14-28/h7-9,21,23-24H,4-6,10-16,18-19H2,1-3H3/t21-,23-,24-/m1/s1" ; chebi:inchikey "NNLRSZHLKPFWRY-GMKZXUHWSA-N" ; chebi:mass "497.627" ; chebi:monoisotopicmass "497.28897" ; chebi:smiles "CN1C[C@@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(CC4(CCCCC4)CC1=O)C)C#N)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102820" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14166" . obo:CHEBI_102821 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O6S" ; chebi:inchi "InChI=1S/C23H28N2O6S/c1-32(28,29)25-16-7-8-20-18(11-16)19-12-17(30-21(14-26)23(19)31-20)13-22(27)24-10-9-15-5-3-2-4-6-15/h2-8,11,17,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,19+,21-,23-/m0/s1" ; chebi:inchikey "TVZJESBMTOHXDE-FTJYFCJYSA-N" ; chebi:mass "460.545" ; chebi:monoisotopicmass "460.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102821" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_102822 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C27H33FN4O5" ; chebi:inchi "InChI=1S/C27H33FN4O5/c1-16(2)30-27(35)31-19-8-11-23-21(12-19)26(34)32(3)22-10-9-20(37-24(22)15-36-23)13-25(33)29-14-17-4-6-18(28)7-5-17/h4-8,11-12,16,20,22,24H,9-10,13-15H2,1-3H3,(H,29,33)(H2,30,31,35)/t20-,22+,24-/m1/s1" ; chebi:inchikey "CMDXATVLXHEPLP-JCTONOIOSA-N" ; chebi:mass "512.574" ; chebi:monoisotopicmass "512.24350" ; chebi:smiles "CC(C)NC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102822" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_102823 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21+,22+,27-/m0/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-HQKZVIGLSA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@H](C)C(C)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102823" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14169" . obo:CHEBI_102824 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H28N4O4" ; chebi:inchi "InChI=1S/C25H28N4O4/c30-13-18-20-12-28-19(8-7-17(25(28)33)16-2-1-9-26-11-16)22(29(20)24(32)15-5-6-15)21(18)23(31)27-10-14-3-4-14/h1-2,7-9,11,14-15,18,20-22,30H,3-6,10,12-13H2,(H,27,31)/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "YVZLAXVGGRSZTP-VXSCBNMQSA-N" ; chebi:mass "448.515" ; chebi:monoisotopicmass "448.21106" ; chebi:smiles "C1CC1CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@H]2N3C(=O)C6CC6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102824" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14170" . obo:CHEBI_102825 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H29N3O5" ; chebi:inchi "InChI=1S/C25H29N3O5/c29-14-22-24-20(11-18(32-22)12-23(30)27-13-17-6-1-2-9-26-17)19-10-16(7-8-21(19)33-24)28-25(31)15-4-3-5-15/h1-2,6-10,15,18,20,22,24,29H,3-5,11-14H2,(H,27,30)(H,28,31)/t18-,20+,22-,24-/m1/s1" ; chebi:inchikey "WYDHQCWIOCTAOJ-USHXRURQSA-N" ; chebi:mass "451.516" ; chebi:monoisotopicmass "451.21072" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102825" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_102826 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H34N4O4" ; chebi:inchi "InChI=1S/C21H34N4O4/c1-6-9-22-21(27)24-16-7-8-18-17(10-16)20(26)25(4)12-19(28-5)14(2)11-23-15(3)13-29-18/h7-8,10,14-15,19,23H,6,9,11-13H2,1-5H3,(H2,22,24,27)/t14-,15+,19-/m1/s1" ; chebi:inchikey "FSHWRMSUZBSSQF-ZRGWGRIASA-N" ; chebi:mass "406.520" ; chebi:monoisotopicmass "406.25801" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](NC[C@H]([C@@H](CN(C2=O)C)OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102826" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_102827 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H24ClN5O4" ; chebi:inchi "InChI=1S/C25H24ClN5O4/c1-14(33)31-22-18(11-30-21(22)7-6-17(25(30)35)16-8-27-13-28-9-16)19(12-32)23(31)24(34)29-10-15-4-2-3-5-20(15)26/h2-9,13,18-19,22-23,32H,10-12H2,1H3,(H,29,34)/t18-,19-,22+,23-/m1/s1" ; chebi:inchikey "NRDXZHALSORZQF-PJIZGREPSA-N" ; chebi:mass "493.943" ; chebi:monoisotopicmass "493.15168" ; chebi:smiles "CC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CN=CN=C4)[C@H]([C@@H]1C(=O)NCC5=CC=CC=C5Cl)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102827" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-acetyl-N-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102828 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C30H37N3O3" ; chebi:inchi "InChI=1S/C30H37N3O3/c1-2-15-32-26-18-33-25(13-12-23(29(33)35)21-9-4-3-5-10-21)28(32)27(24(26)19-34)30(36)31-16-14-20-8-6-7-11-22(20)17-31/h6-9,11-13,24,26-28,34H,2-5,10,14-19H2,1H3/t24-,26-,27+,28+/m1/s1" ; chebi:inchikey "KTCZPISMGPPISS-OIIADRAWSA-N" ; chebi:mass "487.634" ; chebi:monoisotopicmass "487.28349" ; chebi:smiles "CCCN1[C@@H]2CN3C(=CC=C(C3=O)C4=CCCCC4)[C@H]1[C@H]([C@@H]2CO)C(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102828" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14174" . obo:CHEBI_102829 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C24H27F3N4O4" ; chebi:inchi "InChI=1S/C24H27F3N4O4/c1-29(2)22(34)14-6-4-5-13(9-14)15-7-8-17-20-19(21(33)28-12-24(25,26)27)16(11-32)18(30(20)3)10-31(17)23(15)35/h4-9,16,18-20,32H,10-12H2,1-3H3,(H,28,33)/t16-,18-,19+,20+/m1/s1" ; chebi:inchikey "KOJKRQVKKNDDMT-LMCOJAPRSA-N" ; chebi:mass "492.492" ; chebi:monoisotopicmass "492.19844" ; chebi:smiles "CN1[C@@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)C(=O)N(C)C)[C@H]1[C@H]([C@@H]2CO)C(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102829" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14175" . obo:CHEBI_10283 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24654 ; rdfs:subClassOf obo:CHEBI_49302 . _:b254 rdf:type owl:Restriction . obo:CHEBI_10283 rdfs:subClassOf _:b254 . _:b254 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_76176 . obo:CHEBI_10283 obo:IAO_0000115 "Any fatty acid with a hydroxy functional group in the alpha- or 2-position." ; chebi:charge "0" ; chebi:formula "C2H3O3R" ; chebi:formula "C2H3O3R(CH2)n" ; chebi:mass "75.04340" ; chebi:monoisotopicmass "75.00822" ; chebi:smiles "OC([*])C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10283" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "2-hydroxy fatty acid" . obo:CHEBI_102830 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O6" ; chebi:inchi "InChI=1S/C20H28N2O6/c1-3-6-21-18(24)9-13-8-15-14-7-12(22-19(25)11-26-2)4-5-16(14)28-20(15)17(10-23)27-13/h4-5,7,13,15,17,20,23H,3,6,8-11H2,1-2H3,(H,21,24)(H,22,25)/t13-,15-,17-,20+/m1/s1" ; chebi:inchikey "ZWJVDCAUIXXXGX-PCFVDWANSA-N" ; chebi:mass "392.447" ; chebi:monoisotopicmass "392.19474" ; chebi:smiles "CCCNC(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102830" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_102831 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C16H24N2O4" ; chebi:inchi "InChI=1S/C16H24N2O4/c19-9-14-13(18-16(21)10-4-5-10)7-6-12(22-14)8-15(20)17-11-2-1-3-11/h6-7,10-14,19H,1-5,8-9H2,(H,17,20)(H,18,21)/t12-,13+,14+/m0/s1" ; chebi:inchikey "RGLUKSSVDYQFDC-BFHYXJOUSA-N" ; chebi:mass "308.373" ; chebi:monoisotopicmass "308.17361" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102831" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-[2-(cyclobutylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide" . obo:CHEBI_102832 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C24H25N3O3" ; chebi:inchi "InChI=1S/C24H25N3O3/c1-26(2)23(29)19-5-3-4-18(12-19)15-6-8-16(9-7-15)22-20(13-25)27(21(22)14-28)24(30)17-10-11-17/h3-9,12,17,20-22,28H,10-11,14H2,1-2H3/t20-,21-,22+/m0/s1" ; chebi:inchikey "NDTMOTIIGWPVNE-FDFHNCONSA-N" ; chebi:mass "403.475" ; chebi:monoisotopicmass "403.18959" ; chebi:smiles "CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)C4CC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102832" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[4-[(2R,3R,4R)-2-cyano-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_102833 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C25H24FN3O4" ; chebi:inchi "InChI=1S/C25H24FN3O4/c1-33-25(32)23-20(14-30)19-13-28-21(8-7-18(24(28)31)16-5-3-9-27-11-16)22(19)29(23)12-15-4-2-6-17(26)10-15/h2-11,19-20,22-23,30H,12-14H2,1H3/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "QSBCJQTYLRTAIU-YXPKMTABSA-N" ; chebi:mass "449.475" ; chebi:monoisotopicmass "449.17508" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@H]2N1CC5=CC(=CC=C5)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102833" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_102834 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H41N3O5" ; chebi:inchi "InChI=1S/C35H41N3O5/c1-23-19-38(24(2)21-39)34(40)32-31(28-17-11-12-18-29(28)37(32)4)27-16-10-9-15-26(27)22-43-30(23)20-36(3)35(41)33(42-5)25-13-7-6-8-14-25/h6-18,23-24,30,33,39H,19-22H2,1-5H3/t23-,24+,30-,33-/m1/s1" ; chebi:inchikey "ZXKFKEACMTVYCV-GYBKAKGQSA-N" ; chebi:mass "583.718" ; chebi:monoisotopicmass "583.30462" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102834" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14180" . obo:CHEBI_102835 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40F3N3O5S" ; chebi:inchi "InChI=1S/C26H40F3N3O5S/c1-18-13-32(14-20-8-6-5-7-9-20)19(2)16-37-23-11-10-21(30-38(34,35)17-26(27,28)29)12-22(23)25(33)31(3)15-24(18)36-4/h10-12,18-20,24,30H,5-9,13-17H2,1-4H3/t18-,19+,24-/m0/s1" ; chebi:inchikey "IQLGILJFFYEPBE-GLDPYIMESA-N" ; chebi:mass "563.675" ; chebi:monoisotopicmass "563.26408" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102835" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide" . obo:CHEBI_102836 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-3-10-28-25(31)13-18-6-7-20-24(37-18)14-34-21-9-5-17(12-19(21)27(33)30(20)2)29-26(32)16-4-8-22-23(11-16)36-15-35-22/h4-5,8-9,11-12,18,20,24H,3,6-7,10,13-15H2,1-2H3,(H,28,31)(H,29,32)/t18-,20-,24+/m0/s1" ; chebi:inchikey "OHHWUSSTVAUIQP-VAXXYWNWSA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N2C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102836" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102837 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H29N3O6S" ; chebi:inchi "InChI=1S/C20H29N3O6S/c1-22-5-7-23(8-6-22)19(25)11-14-10-16-15-9-13(21-30(2,26)27)3-4-17(15)29-20(16)18(12-24)28-14/h3-4,9,14,16,18,20-21,24H,5-8,10-12H2,1-2H3/t14-,16+,18+,20-/m0/s1" ; chebi:inchikey "LHGLZDQGJZRLBC-UQWBFEFOSA-N" ; chebi:mass "439.528" ; chebi:monoisotopicmass "439.17771" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102837" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide" . obo:CHEBI_102838 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19+,20+/m0/s1" ; chebi:inchikey "YSDDRAAKFDNITG-KCUHQSDYSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102838" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_102839 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C25H37N3O6" ; chebi:inchi "InChI=1S/C25H37N3O6/c29-20-16-28(25(31)19-5-2-1-3-6-19)22-8-7-21(34-23(22)18-33-17-20)15-24(30)26-9-4-10-27-11-13-32-14-12-27/h1-3,5-6,20-23,29H,4,7-18H2,(H,26,30)/t20-,21-,22-,23+/m1/s1" ; chebi:inchikey "AMMWEOQELITDAS-ODAXIHTASA-N" ; chebi:mass "475.579" ; chebi:monoisotopicmass "475.26824" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC=CC=C3)O)O[C@H]1CC(=O)NCCCN4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102839" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-benzoyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_10284 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51689 ; rdfs:subClassOf obo:CHEBI_51867 . _:b255 rdf:type owl:Restriction . obo:CHEBI_10284 rdfs:subClassOf _:b255 . _:b255 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_32319 . obo:CHEBI_10284 obo:IAO_0000115 "A methyl ketone that is alpha-ionone in which a hydrogen at position 5 of the cyclohex-2-en-1-yl ring is substituted by a methyl group." ; chebi:charge "0" ; chebi:formula "C14H22O" ; chebi:inchi "InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+" ; chebi:inchikey "JZQOJFLIJNRDHK-CMDGGOBGSA-N" ; chebi:mass "206.32390" ; chebi:monoisotopicmass "206.16707" ; chebi:smiles "CC1CC=C(C)C(\\C=C\\C(C)=O)C1(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10284" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-irone" . obo:CHEBI_102840 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H27N3O4" ; chebi:inchi "InChI=1S/C26H27N3O4/c1-28-22-14-29-21(13-12-19(26(29)32)16-8-10-18(33-2)11-9-16)24(28)23(20(22)15-30)25(31)27-17-6-4-3-5-7-17/h3-13,20,22-24,30H,14-15H2,1-2H3,(H,27,31)/t20-,22-,23+,24+/m0/s1" ; chebi:inchikey "NFYJHTUTLOTQBL-IQFVJIFQSA-N" ; chebi:mass "445.511" ; chebi:monoisotopicmass "445.20016" ; chebi:smiles "CN1[C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)OC)[C@@H]1[C@@H]([C@H]2CO)C(=O)NC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102840" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14186" . obo:CHEBI_102841 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H36ClN3O5" ; chebi:inchi "InChI=1S/C25H36ClN3O5/c26-18-6-8-19(9-7-18)28-25(32)29-14-20(30)15-33-16-23-22(29)11-10-21(34-23)12-24(31)27-13-17-4-2-1-3-5-17/h6-9,17,20-23,30H,1-5,10-16H2,(H,27,31)(H,28,32)/t20-,21-,22+,23-/m1/s1" ; chebi:inchikey "SYCYKHHPUCXRJT-BXXSPATCSA-N" ; chebi:mass "494.024" ; chebi:monoisotopicmass "493.23435" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102841" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-N-(4-chlorophenyl)-8-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102842 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C24H25N3O3" ; chebi:inchi "InChI=1S/C24H25N3O3/c1-26(2)23(29)19-5-3-4-18(12-19)15-6-8-16(9-7-15)22-20(13-25)27(21(22)14-28)24(30)17-10-11-17/h3-9,12,17,20-22,28H,10-11,14H2,1-2H3/t20-,21+,22+/m1/s1" ; chebi:inchikey "NDTMOTIIGWPVNE-FSSWDIPSSA-N" ; chebi:mass "403.475" ; chebi:monoisotopicmass "403.18959" ; chebi:smiles "CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)C(=O)C4CC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102842" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[4-[(2S,3S,4R)-2-cyano-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_102843 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H29N3O3" ; chebi:inchi "InChI=1S/C28H29N3O3/c1-29-25-22(16-31-24(25)12-11-21(27(31)33)19-8-3-2-4-9-19)23(17-32)26(29)28(34)30-14-13-18-7-5-6-10-20(18)15-30/h2-12,22-23,25-26,32H,13-17H2,1H3/t22-,23-,25+,26-/m1/s1" ; chebi:inchikey "YSTNLTHHZDJVRS-VHCQPULKSA-N" ; chebi:mass "455.549" ; chebi:monoisotopicmass "455.22089" ; chebi:smiles "CN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4)[C@H]([C@@H]1C(=O)N5CCC6=CC=CC=C6C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102843" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-1-methyl-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_102844 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O5" ; chebi:inchi "InChI=1S/C27H39N5O5/c1-16-12-32(13-20-7-8-20)17(2)15-36-23-11-21(28-27(34)29-25-18(3)30-37-19(25)4)9-10-22(23)26(33)31(5)14-24(16)35-6/h9-11,16-17,20,24H,7-8,12-15H2,1-6H3,(H2,28,29,34)/t16-,17-,24+/m0/s1" ; chebi:inchikey "BVCIWUWSCCLIPT-WOGXIUBCSA-N" ; chebi:mass "513.630" ; chebi:monoisotopicmass "513.29512" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102844" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6S,9S)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea" . obo:CHEBI_102845 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H29ClN2O5" ; chebi:inchi "InChI=1S/C21H29ClN2O5/c22-17-4-2-1-3-15(17)12-23-20(26)11-16-5-6-18(19(13-25)29-16)24-21(27)14-7-9-28-10-8-14/h1-4,14,16,18-19,25H,5-13H2,(H,23,26)(H,24,27)/t16-,18+,19+/m1/s1" ; chebi:inchikey "FKDHCSBIQDWEMT-NEWSRXKRSA-N" ; chebi:mass "424.919" ; chebi:monoisotopicmass "424.17650" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=CC=CC=C2Cl)CO)NC(=O)C3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102845" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide" . obo:CHEBI_102846 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C19H27N3O5" ; chebi:inchi "InChI=1S/C19H27N3O5/c1-2-20-18(24)9-14-6-7-16-17(27-14)12-26-11-13(23)10-22(16)19(25)15-5-3-4-8-21-15/h3-5,8,13-14,16-17,23H,2,6-7,9-12H2,1H3,(H,20,24)/t13-,14-,16+,17-/m0/s1" ; chebi:inchikey "XTMFCURZJJHNFP-DIECFANBSA-N" ; chebi:mass "377.436" ; chebi:monoisotopicmass "377.19507" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2C(=O)C3=CC=CC=N3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102846" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_102847 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H37FN4O4" ; chebi:inchi "InChI=1S/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-11-7-8-12-28(27)37(31)4)26-10-6-5-9-23(26)20-42-29(21)18-36(3)33(41)35-25-15-13-24(34)14-16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22+,29-/m1/s1" ; chebi:inchikey "HIWUQZOVKTUVHW-UETOGOEVSA-N" ; chebi:mass "572.671" ; chebi:monoisotopicmass "572.27988" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102847" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14193" . obo:CHEBI_102848 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C20H19N3O2" ; chebi:inchi "InChI=1S/C20H19N3O2/c1-2-4-14-6-8-15(9-7-14)19-17(11-21)23(18(19)13-24)20(25)16-5-3-10-22-12-16/h2-10,12,17-19,24H,13H2,1H3/t17-,18+,19+/m1/s1" ; chebi:inchikey "SONVGTXFTWWDQR-QYZOEREBSA-N" ; chebi:mass "333.385" ; chebi:monoisotopicmass "333.14773" ; chebi:smiles "CC=CC1=CC=C(C=C1)[C@@H]2[C@@H](N([C@@H]2C#N)C(=O)C3=CN=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102848" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14194" . obo:CHEBI_102849 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H38N4O5" ; chebi:inchi "InChI=1S/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20+,26+/m0/s1" ; chebi:inchikey "ZWMNFEZEGHFZOH-OUDXUNEISA-N" ; chebi:mass "522.637" ; chebi:monoisotopicmass "522.28422" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102849" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8S)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea" . obo:CHEBI_10285 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C25H32O8" ; chebi:inchi "InChI=1S/C25H32O8/c1-10(2)18(26)16-22(30)14(20(28)12(5)24(16)32-7)9-15-21(29)13(6)25(33-8)17(23(15)31)19(27)11(3)4/h10-11,28-31H,9H2,1-8H3" ; chebi:inchikey "KPKGKOASFCAMGD-UHFFFAOYSA-N" ; chebi:mass "460.518" ; chebi:monoisotopicmass "460.20972" ; chebi:smiles "COc1c(C)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)C(C)C)c2O)c(O)c1C(=O)C(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10285" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Kosin" . obo:CHEBI_102850 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H23NO8" ; chebi:inchi "InChI=1S/C23H23NO8/c1-28-21(26)9-14-8-16-15-7-13(3-5-17(15)32-22(16)20(10-25)31-14)24-23(27)12-2-4-18-19(6-12)30-11-29-18/h2-7,14,16,20,22,25H,8-11H2,1H3,(H,24,27)/t14-,16+,20+,22-/m0/s1" ; chebi:inchikey "HFIMGBHSBJMCIP-VGOBXOCWSA-N" ; chebi:mass "441.432" ; chebi:monoisotopicmass "441.14237" ; chebi:smiles "COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102850" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102851 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5S" ; chebi:inchi "InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(25-13-7-9-15-27(25)35(31)4)24-12-6-5-11-23(24)20-41-28(21)18-34(3)42(39,40)29-16-10-8-14-26(29)33/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28-/m0/s1" ; chebi:inchikey "PCQGWFREXHAZIT-TYPXCFOJSA-N" ; chebi:mass "593.711" ; chebi:monoisotopicmass "593.23597" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102851" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14197" . obo:CHEBI_102852 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H30FN3O5" ; chebi:inchi "InChI=1S/C21H30FN3O5/c22-16-3-1-2-15(10-16)12-23-20(27)11-17-4-5-18(19(14-26)30-17)24-21(28)13-25-6-8-29-9-7-25/h1-3,10,17-19,26H,4-9,11-14H2,(H,23,27)(H,24,28)/t17-,18+,19+/m1/s1" ; chebi:inchikey "ZEQYNXCYKJRRAG-QYZOEREBSA-N" ; chebi:mass "423.479" ; chebi:monoisotopicmass "423.21695" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=CC(=CC=C2)F)CO)NC(=O)CN3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102852" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102853 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c1-14-2-7-17(8-3-14)28(25,26)21-11-10-16-6-9-18(19(13-23)27-16)22-20(24)12-15-4-5-15/h2-3,7-8,15-16,18-19,21,23H,4-6,9-13H2,1H3,(H,22,24)/t16-,18-,19+/m0/s1" ; chebi:inchikey "VPHPWASIVZFRRJ-YTQUADARSA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NCC[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)CC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102853" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]acetamide" . obo:CHEBI_102854 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-15(16-7-5-4-6-8-16)25-23(28)13-18-12-20-19-11-17(26(2)3)9-10-21(19)30-24(20)22(14-27)29-18/h4-11,15,18,20,22,24,27H,12-14H2,1-3H3,(H,25,28)/t15-,18+,20-,22-,24+/m0/s1" ; chebi:inchikey "LSNSUZUVRXFZLV-AUPQHMSCSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102854" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102855 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O7" ; chebi:inchi "InChI=1S/C28H37N3O7/c1-18-14-31(26(32)17-35-4)19(2)16-38-24-13-21(29-27(33)20-7-10-22(36-5)11-8-20)9-12-23(24)28(34)30(3)15-25(18)37-6/h7-13,18-19,25H,14-17H2,1-6H3,(H,29,33)/t18-,19-,25-/m1/s1" ; chebi:inchikey "YQOYUVQVCGNRJC-MPCDZSKCSA-N" ; chebi:mass "527.610" ; chebi:monoisotopicmass "527.26315" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102855" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-methoxy-N-[(5S,6R,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102856 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O6S" ; chebi:inchi "InChI=1S/C22H32N4O6S/c1-13-10-23-14(2)12-31-19-8-7-17(9-18(19)22(27)26(5)11-20(13)30-6)25-33(28,29)21-15(3)24-32-16(21)4/h7-9,13-14,20,23,25H,10-12H2,1-6H3/t13-,14+,20+/m0/s1" ; chebi:inchikey "LINNEEFEDHMFDS-LRDNONRASA-N" ; chebi:mass "480.580" ; chebi:monoisotopicmass "480.20426" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102856" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3,5-dimethyl-4-isoxazolesulfonamide" . obo:CHEBI_102857 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16-,18-,19+/m1/s1" ; chebi:inchikey "LYYREMJMDQKNES-OPNNQBFTSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@@H]1C(=O)N(C[C@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102857" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14203" . obo:CHEBI_102858 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H35F3N2O4" ; chebi:inchi "InChI=1S/C21H35F3N2O4/c22-21(23,24)8-9-26-12-16(27)13-29-14-19-18(26)7-6-17(30-19)10-20(28)25-11-15-4-2-1-3-5-15/h15-19,27H,1-14H2,(H,25,28)/t16-,17+,18-,19+/m0/s1" ; chebi:inchikey "LOZCXWBJFMLABO-ZSYWTGECSA-N" ; chebi:mass "436.510" ; chebi:monoisotopicmass "436.25489" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CCC(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102858" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_102859 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31N5O5" ; chebi:inchi "InChI=1S/C24H31N5O5/c1-15-12-29(24(32)20-11-25-8-9-26-20)16(2)14-34-21-7-6-18(27-17(3)30)10-19(21)23(31)28(4)13-22(15)33-5/h6-11,15-16,22H,12-14H2,1-5H3,(H,27,30)/t15-,16+,22+/m1/s1" ; chebi:inchikey "PQYPJTAQDSWLTB-VVBPWWLESA-N" ; chebi:mass "469.534" ; chebi:monoisotopicmass "469.23252" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=NC=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102859" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10286 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28351 ; owl:deprecated true . obo:CHEBI_102860 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C32H39N3O4" ; chebi:inchi "InChI=1S/C32H39N3O4/c1-22-18-35(23(2)20-36)31(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-39-30(22)19-34(4)32(38)33-24(3)25-12-6-5-7-13-25/h5-17,22-24,30,36H,18-21H2,1-4H3,(H,33,38)/t22-,23-,24+,30-/m1/s1" ; chebi:inchikey "VBARFQGDBKSOKL-HTWFIQDWSA-N" ; chebi:mass "529.671" ; chebi:monoisotopicmass "529.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102860" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14206" . obo:CHEBI_102861 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15-6-9-17(10-7-15)31(28,29)25-20-11-8-16(30-21(20)14-26)12-13-24-22(27)18-4-2-3-5-19(18)23/h2-7,9-10,16,20-21,25-26H,8,11-14H2,1H3,(H,24,27)/t16-,20-,21+/m0/s1" ; chebi:inchikey "SBFIZHFYYISGJV-ORYQWCPZSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102861" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide" . obo:CHEBI_102862 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21-,22-,23-,24+/m0/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-QCCYXRBGSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102862" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-3-hydroxy-8-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102863 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H35N5O6" ; chebi:inchi "InChI=1S/C27H35N5O6/c1-16-21(14-31(2)30-16)29-25(33)13-19-5-6-22-24(38-19)15-37-23-7-4-18(12-20(23)27(35)32(22)3)28-26(34)17-8-10-36-11-9-17/h4,7,12,14,17,19,22,24H,5-6,8-11,13,15H2,1-3H3,(H,28,34)(H,29,33)/t19-,22-,24+/m0/s1" ; chebi:inchikey "KFDLRFOLOVMTJG-NGYIFUPDSA-N" ; chebi:mass "525.598" ; chebi:monoisotopicmass "525.25873" ; chebi:smiles "CC1=NN(C=C1NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102863" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102864 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H27F2N3O4" ; chebi:inchi "InChI=1S/C24H27F2N3O4/c25-17-5-7-19(26)21(11-17)28-24(32)27-20-8-6-18(33-22(20)14-30)12-23(31)29-10-9-15-3-1-2-4-16(15)13-29/h1-5,7,11,18,20,22,30H,6,8-10,12-14H2,(H2,27,28,32)/t18-,20-,22+/m1/s1" ; chebi:inchikey "BOSRLBMZBBTOKS-UZKOGDIHSA-N" ; chebi:mass "459.487" ; chebi:monoisotopicmass "459.19696" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CC(=O)N2CCC3=CC=CC=C3C2)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102864" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]urea" . obo:CHEBI_102865 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C17H28N2O4" ; chebi:inchi "InChI=1S/C17H28N2O4/c20-10-15-14(19-17(22)12-2-1-3-12)7-6-13(23-15)8-16(21)18-9-11-4-5-11/h11-15,20H,1-10H2,(H,18,21)(H,19,22)/t13-,14+,15-/m0/s1" ; chebi:inchikey "MSNHHRRUCLPTHC-ZNMIVQPWSA-N" ; chebi:mass "324.416" ; chebi:monoisotopicmass "324.20491" ; chebi:smiles "C1CC(C1)C(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)NCC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102865" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide" . obo:CHEBI_102866 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H38N4O6" ; chebi:inchi "InChI=1S/C34H38N4O6/c1-21-16-38(22(2)18-39)33(40)32-31(26-11-7-8-12-27(26)37(32)4)25-10-6-5-9-23(25)19-42-30(21)17-36(3)34(41)35-24-13-14-28-29(15-24)44-20-43-28/h5-15,21-22,30,39H,16-20H2,1-4H3,(H,35,41)/t21-,22+,30+/m0/s1" ; chebi:inchikey "KFLLAZWDLYDTFJ-IABYTQIASA-N" ; chebi:mass "598.690" ; chebi:monoisotopicmass "598.27913" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102866" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14212" . obo:CHEBI_102867 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17-,22+/m1/s1" ; chebi:inchikey "PIYRLUCWZXVSBU-YVHKJVDXSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102867" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_102868 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C28H33N3O6" ; chebi:inchi "InChI=1S/C28H33N3O6/c1-31-23-11-10-21(14-26(32)29-15-17-3-4-17)37-25(23)16-36-24-12-7-19(13-22(24)28(31)34)30-27(33)18-5-8-20(35-2)9-6-18/h5-9,12-13,17,21,23,25H,3-4,10-11,14-16H2,1-2H3,(H,29,32)(H,30,33)/t21-,23-,25+/m0/s1" ; chebi:inchikey "IGRBOWQNYYEHHT-UMXIMWEHSA-N" ; chebi:mass "507.579" ; chebi:monoisotopicmass "507.23694" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102868" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide" . obo:CHEBI_102869 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35FN4O6" ; chebi:inchi "InChI=1S/C27H35FN4O6/c1-17-13-32(25(33)16-36-4)18(2)15-38-23-10-9-21(12-22(23)26(34)31(3)14-24(17)37-5)30-27(35)29-20-8-6-7-19(28)11-20/h6-12,17-18,24H,13-16H2,1-5H3,(H2,29,30,35)/t17-,18+,24-/m1/s1" ; chebi:inchikey "ZQFWKBSGTDYKBN-NXMSCROESA-N" ; chebi:mass "530.589" ; chebi:monoisotopicmass "530.25406" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102869" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4S,7R,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_10287 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_37572 ; owl:deprecated true . obo:CHEBI_102870 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H34F3N3O5S" ; chebi:inchi "InChI=1S/C22H34F3N3O5S/c1-6-34(30,31)26-17-7-8-19-18(11-17)21(29)27(4)13-20(32-5)15(2)12-28(16(3)14-33-19)10-9-22(23,24)25/h7-8,11,15-16,20,26H,6,9-10,12-14H2,1-5H3/t15-,16-,20-/m0/s1" ; chebi:inchikey "QTXSGNVPDCTZEW-FTRWYGJKSA-N" ; chebi:mass "509.585" ; chebi:monoisotopicmass "509.21713" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CCC(F)(F)F)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102870" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102871 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C26H32F3N3O4" ; chebi:inchi "InChI=1S/C26H32F3N3O4/c27-26(28,29)20-3-1-2-19(12-20)14-32-15-21(33)16-35-17-24-23(32)5-4-22(36-24)13-25(34)31-11-8-18-6-9-30-10-7-18/h1-3,6-7,9-10,12,21-24,33H,4-5,8,11,13-17H2,(H,31,34)/t21-,22-,23+,24-/m1/s1" ; chebi:inchikey "QCHQNBIYSRQADD-JLLPCOHGSA-N" ; chebi:mass "507.546" ; chebi:monoisotopicmass "507.23449" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@H]1CC(=O)NCCC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102871" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102872 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-25(2)16-6-7-20-18(12-16)19-13-17(29-21(15-27)23(19)30-20)14-22(28)24-8-11-26-9-4-3-5-10-26/h6-7,12,17,19,21,23,27H,3-5,8-11,13-15H2,1-2H3,(H,24,28)/t17-,19-,21+,23+/m1/s1" ; chebi:inchikey "HWEAQBDEOFZYHR-YZBYQZESSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCCN4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102872" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102873 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H43N3O4" ; chebi:inchi "InChI=1S/C28H43N3O4/c32-21-26-25(29-27(33)13-16-30-14-5-2-6-15-30)10-9-24(35-26)20-28(34)31-17-11-23(12-18-31)19-22-7-3-1-4-8-22/h1,3-4,7-8,23-26,32H,2,5-6,9-21H2,(H,29,33)/t24-,25+,26-/m1/s1" ; chebi:inchikey "HBACCIGQRKGJSE-UODIDJSMSA-N" ; chebi:mass "485.660" ; chebi:monoisotopicmass "485.32536" ; chebi:smiles "C1CCN(CC1)CCC(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102873" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_102874 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H37ClN2O4" ; chebi:inchi "InChI=1S/C25H37ClN2O4/c26-20-8-4-7-19(11-20)14-28-15-21(29)16-31-17-24-23(28)10-9-22(32-24)12-25(30)27-13-18-5-2-1-3-6-18/h4,7-8,11,18,21-24,29H,1-3,5-6,9-10,12-17H2,(H,27,30)/t21-,22+,23+,24-/m1/s1" ; chebi:inchikey "UWGYAIIPASVTSB-NAVOZUGXSA-N" ; chebi:mass "465.026" ; chebi:monoisotopicmass "464.24419" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102874" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_102875 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H34FN3O5S" ; chebi:inchi "InChI=1S/C24H34FN3O5S/c1-17-10-12-20(13-11-17)34(31,32)27(4)15-23(33-5)18(2)14-28(19(3)16-29)24(30)26-22-9-7-6-8-21(22)25/h6-13,18-19,23,29H,14-16H2,1-5H3,(H,26,30)/t18-,19-,23+/m0/s1" ; chebi:inchikey "IMMALVOVYMCCKV-SFYKDHMMSA-N" ; chebi:mass "495.609" ; chebi:monoisotopicmass "495.22032" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@@H](C)CN([C@@H](C)CO)C(=O)NC2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102875" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea" . obo:CHEBI_102876 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-26(2)17-8-9-21-19(12-17)20-13-18(29-22(15-27)24(20)30-21)14-23(28)25-11-10-16-6-4-3-5-7-16/h3-9,12,18,20,22,24,27H,10-11,13-15H2,1-2H3,(H,25,28)/t18-,20-,22-,24+/m1/s1" ; chebi:inchikey "VTJOJCWIVRUFJE-YWWGLXIYSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102876" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_102877 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H25N3O6" ; chebi:inchi "InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18+,20+/m0/s1" ; chebi:inchikey "HJRBVKTVNLVVPO-ILZDJORESA-N" ; chebi:mass "439.462" ; chebi:monoisotopicmass "439.17434" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102877" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_102878 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H41N3O5" ; chebi:inchi "InChI=1S/C33H41N3O5/c1-23-20-36(17-16-25-10-7-6-8-11-25)24(2)22-41-30-15-14-27(19-29(30)33(38)35(3)21-31(23)40-5)34-32(37)26-12-9-13-28(18-26)39-4/h6-15,18-19,23-24,31H,16-17,20-22H2,1-5H3,(H,34,37)/t23-,24+,31+/m1/s1" ; chebi:inchikey "OXAYHDRNXZXDOZ-OXYPMYLPSA-N" ; chebi:mass "559.697" ; chebi:monoisotopicmass "559.30462" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102878" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102879 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O5" ; chebi:inchi "InChI=1S/C22H29Cl2N3O5/c23-17-6-4-14(8-18(17)24)26-22(30)27-10-15(28)11-31-12-20-19(27)7-5-16(32-20)9-21(29)25-13-2-1-3-13/h4,6,8,13,15-16,19-20,28H,1-3,5,7,9-12H2,(H,25,29)(H,26,30)/t15-,16-,19-,20+/m1/s1" ; chebi:inchikey "KPSAIAGNOOFEEI-SMOSDQRPSA-N" ; chebi:mass "486.389" ; chebi:monoisotopicmass "485.14843" ; chebi:smiles "C1CC(C1)NC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC(=C(C=C4)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102879" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8R,10aR)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_10288 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28772 ; owl:deprecated true . obo:CHEBI_102880 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C24H25N3O3" ; chebi:inchi "InChI=1S/C24H25N3O3/c1-26(2)23(29)19-5-3-4-18(12-19)15-6-8-16(9-7-15)22-20(13-25)27(21(22)14-28)24(30)17-10-11-17/h3-9,12,17,20-22,28H,10-11,14H2,1-2H3/t20-,21-,22+/m1/s1" ; chebi:inchikey "NDTMOTIIGWPVNE-VSKRKVRLSA-N" ; chebi:mass "403.475" ; chebi:monoisotopicmass "403.18959" ; chebi:smiles "CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)[C@@H]3[C@H](N([C@@H]3C#N)C(=O)C4CC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102880" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[4-[(2S,3S,4S)-2-cyano-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_102881 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36F3N5O5" ; chebi:inchi "InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16-,22-/m0/s1" ; chebi:inchikey "PCJFVZCPKBPEAR-WCJKSRRJSA-N" ; chebi:mass "555.591" ; chebi:monoisotopicmass "555.26685" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102881" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102882 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H32N4O5S" ; chebi:inchi "InChI=1S/C29H32N4O5S/c1-33-24-6-5-21(16-27(34)31-13-10-19-8-11-30-12-9-19)38-26(24)18-37-25-7-4-20(15-23(25)29(33)36)32-28(35)17-22-3-2-14-39-22/h2-4,7-9,11-12,14-15,21,24,26H,5-6,10,13,16-18H2,1H3,(H,31,34)(H,32,35)/t21-,24+,26+/m0/s1" ; chebi:inchikey "OJLJDVMGKDSXAU-BBVWWWHTSA-N" ; chebi:mass "548.655" ; chebi:monoisotopicmass "548.20934" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102882" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102883 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H32F3N3O3" ; chebi:inchi "InChI=1S/C24H32F3N3O3/c1-16(23(33-4)14-29(3)13-18-11-20(26)7-10-22(18)27)12-30(17(2)15-31)24(32)28-21-8-5-19(25)6-9-21/h5-11,16-17,23,31H,12-15H2,1-4H3,(H,28,32)/t16-,17-,23-/m0/s1" ; chebi:inchikey "FEKMHVLVYAIVTJ-QQMNAOGKSA-N" ; chebi:mass "467.525" ; chebi:monoisotopicmass "467.23958" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102883" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_102884 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18+,20-,21+/m1/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-OBUJGBQQSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102884" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102885 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27FN4O4S" ; chebi:inchi "InChI=1S/C23H27FN4O4S/c24-20-8-4-5-9-23(20)33(30,31)26-21-11-10-19(32-22(21)16-29)12-13-28-15-18(25-27-28)14-17-6-2-1-3-7-17/h1-9,15,19,21-22,26,29H,10-14,16H2/t19-,21+,22-/m1/s1" ; chebi:inchikey "INJNPRWYOQJIJD-BAGYTPMASA-N" ; chebi:mass "474.550" ; chebi:monoisotopicmass "474.17370" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NS(=O)(=O)C4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102885" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_102886 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H29FN2O6S" ; chebi:inchi "InChI=1S/C29H29FN2O6S/c30-20-5-8-23(9-6-20)39(35,36)31-21-7-10-26-24(13-21)25-14-22(37-27(17-33)29(25)38-26)15-28(34)32-12-11-18-3-1-2-4-19(18)16-32/h1-10,13,22,25,27,29,31,33H,11-12,14-17H2/t22-,25+,27+,29-/m1/s1" ; chebi:inchikey "RHYJRBPAXZYDBS-CMRYXKCBSA-N" ; chebi:mass "552.616" ; chebi:monoisotopicmass "552.17304" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@@H]4[C@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NS(=O)(=O)C6=CC=C(C=C6)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102886" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-fluorobenzenesulfonamide" . obo:CHEBI_102887 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C18H27N3O4" ; chebi:inchi "InChI=1S/C18H27N3O4/c22-14-10-21-16-2-1-15(25-17(16)12-24-11-14)9-18(23)20-8-5-13-3-6-19-7-4-13/h3-4,6-7,14-17,21-22H,1-2,5,8-12H2,(H,20,23)/t14-,15+,16-,17+/m0/s1" ; chebi:inchikey "RNNHPDFMCSWFHC-VVLHAWIVSA-N" ; chebi:mass "349.425" ; chebi:monoisotopicmass "349.20016" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@H]1CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102887" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102888 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C16H24N2O4" ; chebi:inchi "InChI=1S/C16H24N2O4/c19-9-14-13(18-16(21)10-4-5-10)7-6-12(22-14)8-15(20)17-11-2-1-3-11/h6-7,10-14,19H,1-5,8-9H2,(H,17,20)(H,18,21)/t12-,13+,14-/m0/s1" ; chebi:inchikey "RGLUKSSVDYQFDC-MJBXVCDLSA-N" ; chebi:mass "308.373" ; chebi:monoisotopicmass "308.17361" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102888" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-(cyclobutylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide" . obo:CHEBI_102889 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C30H34N4O3" ; chebi:inchi "InChI=1S/C30H34N4O3/c1-32-26-18-34-25(8-7-23(29(34)36)22-9-13-31-14-10-22)28(32)27(24(26)19-35)30(37)33-15-11-21(12-16-33)17-20-5-3-2-4-6-20/h2-10,13-14,21,24,26-28,35H,11-12,15-19H2,1H3/t24-,26-,27+,28+/m1/s1" ; chebi:inchikey "QUSLSSXBBMTUKA-OIIADRAWSA-N" ; chebi:mass "498.617" ; chebi:monoisotopicmass "498.26309" ; chebi:smiles "CN1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)N5CCC(CC5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102889" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14235" . obo:CHEBI_10289 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28226 ; owl:deprecated true . obo:CHEBI_102890 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C19H31N5O5" ; chebi:inchi "InChI=1S/C19H31N5O5/c1-12-18(13(2)29-23-12)22-19(27)21-15-7-6-14(28-16(15)11-25)10-17(26)20-8-5-9-24(3)4/h6-7,14-16,25H,5,8-11H2,1-4H3,(H,20,26)(H2,21,22,27)/t14-,15-,16-/m0/s1" ; chebi:inchikey "IXKFMJFBYVYICU-JYJNAYRXSA-N" ; chebi:mass "409.481" ; chebi:monoisotopicmass "409.23252" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102890" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2R,3S,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102891 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21+,23+,25-,27-/m0/s1" ; chebi:inchikey "ISBRQPNQXSURAN-LLAXMMLTSA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102891" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102892 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H32N4O5S" ; chebi:inchi "InChI=1S/C19H32N4O5S/c1-23-11-19(21-13-23)29(26,27)22-16-8-7-15(28-17(16)12-24)9-18(25)20-10-14-5-3-2-4-6-14/h11,13-17,22,24H,2-10,12H2,1H3,(H,20,25)/t15-,16-,17-/m1/s1" ; chebi:inchikey "VHNINRJVEBHVBF-BRWVUGGUSA-N" ; chebi:mass "428.548" ; chebi:monoisotopicmass "428.20934" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NCC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102892" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(cyclohexylmethyl)-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_102893 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H34N4O4" ; chebi:inchi "InChI=1S/C21H34N4O4/c1-6-9-22-21(27)24-16-7-8-18-17(10-16)20(26)25(4)12-19(28-5)14(2)11-23-15(3)13-29-18/h7-8,10,14-15,19,23H,6,9,11-13H2,1-5H3,(H2,22,24,27)/t14-,15+,19-/m0/s1" ; chebi:inchikey "FSHWRMSUZBSSQF-KHYOSLBOSA-N" ; chebi:mass "406.520" ; chebi:monoisotopicmass "406.25801" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](NC[C@@H]([C@H](CN(C2=O)C)OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102893" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_102894 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H27N3O7" ; chebi:inchi "InChI=1S/C28H27N3O7/c32-14-25-27-21(10-19(37-25)11-26(33)30-13-16-2-1-7-29-12-16)20-9-18(4-6-22(20)38-27)31-28(34)17-3-5-23-24(8-17)36-15-35-23/h1-9,12,19,21,25,27,32H,10-11,13-15H2,(H,30,33)(H,31,34)/t19-,21+,25-,27-/m0/s1" ; chebi:inchikey "PHEIPYKARIAFSI-OSHLHTJISA-N" ; chebi:mass "517.531" ; chebi:monoisotopicmass "517.18490" ; chebi:smiles "C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CN=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102894" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102895 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H15FN2O" ; chebi:inchi "InChI=1S/C19H15FN2O/c20-16-4-2-1-3-14(16)8-5-13-6-9-15(10-7-13)19-17(11-21)22-18(19)12-23/h1-4,6-7,9-10,17-19,22-23H,12H2/t17-,18-,19+/m0/s1" ; chebi:inchikey "BQRBXGWYUGGWQF-GBESFXJTSA-N" ; chebi:mass "306.334" ; chebi:monoisotopicmass "306.11684" ; chebi:smiles "C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N[C@H]3C#N)CO)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102895" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102896 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c1-32-24-8-7-22(16-27(33)30-19-4-3-5-21(14-19)36-2)39-26(24)17-38-25-9-6-20(15-23(25)29(32)35)31-28(34)18-10-12-37-13-11-18/h3-6,9,14-15,18,22,24,26H,7-8,10-13,16-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,24+,26-/m1/s1" ; chebi:inchikey "VRPVHEJOGHTQDQ-KTIWRFAQSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102896" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102897 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C21H21N3O5" ; chebi:inchi "InChI=1S/C21H21N3O5/c25-10-14-16-9-23-15(4-3-13(20(23)27)11-5-7-22-8-6-11)18(17(14)21(28)29)24(16)19(26)12-1-2-12/h3-8,12,14,16-18,25H,1-2,9-10H2,(H,28,29)/t14-,16-,17+,18+/m1/s1" ; chebi:inchikey "YHZGHLFVBXATHQ-BGTYHANMSA-N" ; chebi:mass "395.409" ; chebi:monoisotopicmass "395.14812" ; chebi:smiles "C1CC1C(=O)N2[C@@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@H]2[C@H]([C@@H]3CO)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102897" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14243" . obo:CHEBI_102898 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H21F3N2O6" ; chebi:inchi "InChI=1S/C22H21F3N2O6/c23-22(24,25)11-1-3-12(4-2-11)26-21(31)27-13-5-6-17-15(7-13)16-8-14(9-19(29)30)32-18(10-28)20(16)33-17/h1-7,14,16,18,20,28H,8-10H2,(H,29,30)(H2,26,27,31)/t14-,16-,18-,20+/m1/s1" ; chebi:inchikey "RRHNJWQDAKAZMZ-ODZKNYGOSA-N" ; chebi:mass "466.408" ; chebi:monoisotopicmass "466.13517" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102898" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_102899 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H25FN2O7S" ; chebi:inchi "InChI=1S/C23H25FN2O7S/c1-26-19-9-6-16(12-22(27)31-2)33-21(19)13-32-20-10-5-15(11-18(20)23(26)28)25-34(29,30)17-7-3-14(24)4-8-17/h3-5,7-8,10-11,16,19,21,25H,6,9,12-13H2,1-2H3/t16-,19+,21+/m0/s1" ; chebi:inchikey "QOIMCQVGUSYUFV-LDQXTDLNSA-N" ; chebi:mass "492.519" ; chebi:monoisotopicmass "492.13665" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102899" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_1029 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18425 ; owl:deprecated true . obo:CHEBI_10290 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_35376 ; owl:deprecated true . obo:CHEBI_102900 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H24N2O6" ; chebi:inchi "InChI=1S/C22H24N2O6/c1-28-20(26)11-15-10-17-16-9-14(24-22(27)23-13-5-3-2-4-6-13)7-8-18(16)30-21(17)19(12-25)29-15/h2-9,15,17,19,21,25H,10-12H2,1H3,(H2,23,24,27)/t15-,17-,19+,21+/m0/s1" ; chebi:inchikey "BVQWYDMOVFWUGX-ICSUOEFDSA-N" ; chebi:mass "412.437" ; chebi:monoisotopicmass "412.16344" ; chebi:smiles "COC(=O)C[C@@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102900" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102901 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O5" ; chebi:inchi "InChI=1S/C24H37N3O5/c1-16-11-27(12-18-6-7-18)17(2)14-32-21-10-19(25-23(28)15-30-4)8-9-20(21)24(29)26(3)13-22(16)31-5/h8-10,16-18,22H,6-7,11-15H2,1-5H3,(H,25,28)/t16-,17+,22+/m1/s1" ; chebi:inchikey "MDBZRSBKDCCZHT-JLHGSKIFSA-N" ; chebi:mass "447.569" ; chebi:monoisotopicmass "447.27332" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102901" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_102902 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H28ClN5O3" ; chebi:inchi "InChI=1S/C24H28ClN5O3/c25-18-7-4-8-19(14-18)26-24(32)27-22-10-9-21(33-23(22)16-31)11-12-30-15-20(28-29-30)13-17-5-2-1-3-6-17/h1-8,14-15,21-23,31H,9-13,16H2,(H2,26,27,32)/t21-,22+,23-/m0/s1" ; chebi:inchikey "QIJBHKKZJCMHEO-ZRBLBEILSA-N" ; chebi:mass "469.965" ; chebi:monoisotopicmass "469.18807" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NC(=O)NC4=CC(=CC=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102902" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]urea" . obo:CHEBI_102903 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O6S" ; chebi:inchi "InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18-,20+,22+/m0/s1" ; chebi:inchikey "LWPDCVYPXSZOFH-FDGCKHTNSA-N" ; chebi:mass "480.964" ; chebi:monoisotopicmass "480.11219" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102903" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_102904 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35ClN2O4S" ; chebi:inchi "InChI=1S/C24H35ClN2O4S/c1-18-10-12-22(13-11-18)32(29,30)26(4)16-24(31-5)19(2)14-27(20(3)17-28)15-21-8-6-7-9-23(21)25/h6-13,19-20,24,28H,14-17H2,1-5H3/t19-,20-,24+/m1/s1" ; chebi:inchikey "OWPXWWCVMFAFIQ-REHUZNOOSA-N" ; chebi:mass "483.066" ; chebi:monoisotopicmass "482.20061" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@H](C)CN(CC2=CC=CC=C2Cl)[C@H](C)CO)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102904" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_102905 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H39N5O5" ; chebi:inchi "InChI=1S/C32H39N5O5/c1-19-15-37(20(2)17-38)31(39)30-28(25-13-9-10-14-26(25)36(30)6)24-12-8-7-11-23(24)18-41-27(19)16-35(5)32(40)33-29-21(3)34-42-22(29)4/h7-14,19-20,27,38H,15-18H2,1-6H3,(H,33,40)/t19-,20+,27+/m0/s1" ; chebi:inchikey "WBCPGODJHKXDGU-ASHZAFPQSA-N" ; chebi:mass "573.684" ; chebi:monoisotopicmass "573.29512" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102905" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14251" . obo:CHEBI_102906 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C23H34FN3O4" ; chebi:inchi "InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20+,21-,22+/m1/s1" ; chebi:inchikey "UZQWVSGPDQQYNK-MBDNFAEBSA-N" ; chebi:mass "435.533" ; chebi:monoisotopicmass "435.25333" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3CC4=CC(=CC=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102906" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_102907 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-3-10-28-25(31)13-18-6-7-20-24(37-18)14-34-21-9-5-17(12-19(21)27(33)30(20)2)29-26(32)16-4-8-22-23(11-16)36-15-35-22/h4-5,8-9,11-12,18,20,24H,3,6-7,10,13-15H2,1-2H3,(H,28,31)(H,29,32)/t18-,20-,24+/m1/s1" ; chebi:inchikey "OHHWUSSTVAUIQP-FPGHNAPASA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N2C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102907" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102908 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18+,19-,20-/m0/s1" ; chebi:inchikey "YSDDRAAKFDNITG-LDTOTXGLSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102908" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_102909 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C18H18N2O2" ; chebi:inchi "InChI=1S/C18H18N2O2/c1-22-17-5-3-2-4-14(17)12-6-8-13(9-7-12)18-15(10-19)20-16(18)11-21/h2-9,15-16,18,20-21H,11H2,1H3/t15-,16+,18+/m0/s1" ; chebi:inchikey "BGJLKNVJWQWPQD-LZLYRXPVSA-N" ; chebi:mass "294.348" ; chebi:monoisotopicmass "294.13683" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C(C=C2)[C@H]3[C@H](N[C@H]3C#N)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102909" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4S)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_10291 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28349 ; owl:deprecated true . obo:CHEBI_102910 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H29N3O3" ; chebi:inchi "InChI=1S/C24H29N3O3/c28-15-19-18-14-27-20(10-5-11-21(27)29)22(18)26(13-12-16-6-2-1-3-7-16)23(19)24(30)25-17-8-4-9-17/h1-3,5-7,10-11,17-19,22-23,28H,4,8-9,12-15H2,(H,25,30)/t18-,19-,22+,23-/m0/s1" ; chebi:inchikey "TURNTDXZFQQILD-LBVMUVSTSA-N" ; chebi:mass "407.506" ; chebi:monoisotopicmass "407.22089" ; chebi:smiles "C1CC(C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@@H]3N2CCC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102910" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-cyclobutyl-3-(hydroxymethyl)-6-oxo-1-(2-phenylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102911 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25-,28+,30+/m0/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-ZTPXPFPDSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102911" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_102912 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O8" ; chebi:inchi "InChI=1S/C30H30N2O8/c1-36-23-5-3-2-4-18(23)14-31-28(34)13-20-12-22-21-11-19(7-9-24(21)40-29(22)27(15-33)39-20)32-30(35)17-6-8-25-26(10-17)38-16-37-25/h2-11,20,22,27,29,33H,12-16H2,1H3,(H,31,34)(H,32,35)/t20-,22+,27+,29-/m0/s1" ; chebi:inchikey "IQCMSFSSZNINGU-MFJYUDLCSA-N" ; chebi:mass "546.569" ; chebi:monoisotopicmass "546.20022" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102912" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102913 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C29H30N4O4" ; chebi:inchi "InChI=1S/C29H30N4O4/c1-2-14-31-27(35)25-22(18-34)24-17-32-23(26(25)33(24)29(37)21-12-15-30-16-13-21)11-10-20(28(32)36)9-8-19-6-4-3-5-7-19/h3-13,15-16,22,24-26,34H,2,14,17-18H2,1H3,(H,31,35)/t22-,24-,25+,26+/m1/s1" ; chebi:inchikey "QXUUMNXHRNLNCE-BPHNFWMXSA-N" ; chebi:mass "498.574" ; chebi:monoisotopicmass "498.22671" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]1N2C(=O)C5=CC=NC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102913" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14259" . obo:CHEBI_102914 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H34N2O6S" ; chebi:inchi "InChI=1S/C30H34N2O6S/c1-21-6-5-9-27(16-21)39(35,36)32-18-25(33)19-37-20-29-28(32)15-14-26(38-29)17-30(34)31-24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-13,16,25-26,28-29,33H,14-15,17-20H2,1H3,(H,31,34)/t25-,26-,28+,29-/m0/s1" ; chebi:inchikey "LOPBZILAZMWERO-KGKLHAENSA-N" ; chebi:mass "550.668" ; chebi:monoisotopicmass "550.21376" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102914" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_102915 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-38-28(21)18-31(3)39(35,36)29-16-10-9-15-27(29)37-4/h5-16,21-22,28,33H,17-20H2,1-4H3/t21-,22-,28+/m0/s1" ; chebi:inchikey "IDILRECQKBLRIF-RXYILKCJSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102915" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14261" . obo:CHEBI_102916 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-34-23-5-3-2-4-21(23)29-26(33)30-15-19(31)16-35-17-24-22(30)7-6-20(36-24)14-25(32)28-13-10-18-8-11-27-12-9-18/h2-5,8-9,11-12,19-20,22,24,31H,6-7,10,13-17H2,1H3,(H,28,32)(H,29,33)/t19-,20+,22+,24-/m1/s1" ; chebi:inchikey "YKBSBMDVZJDWJN-CETSDDCJSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCCC4=CC=NC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102916" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8S,10aS)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102917 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H27Cl2FN2O5" ; chebi:inchi "InChI=1S/C25H27Cl2FN2O5/c26-19-7-5-15(9-20(19)27)11-29-24(32)10-17-6-8-22-23(35-17)14-34-13-16(31)12-30(22)25(33)18-3-1-2-4-21(18)28/h1-5,7,9,16-17,22-23,31H,6,8,10-14H2,(H,29,32)/t16-,17-,22-,23+/m1/s1" ; chebi:inchikey "NLZWENHPOORBAO-UOGRCSNTSA-N" ; chebi:mass "525.398" ; chebi:monoisotopicmass "524.12811" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@H]1CC(=O)NCC4=CC(=C(C=C4)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102917" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_102918 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C21H26N2O6" ; chebi:inchi "InChI=1S/C21H26N2O6/c24-12-19-16(22-21(26)14-4-7-17-18(10-14)28-13-27-17)6-5-15(29-19)11-20(25)23-8-2-1-3-9-23/h4-7,10,15-16,19,24H,1-3,8-9,11-13H2,(H,22,26)/t15-,16+,19-/m1/s1" ; chebi:inchikey "ZKMZGYJTUFHVCC-JTDSTZFVSA-N" ; chebi:mass "402.442" ; chebi:monoisotopicmass "402.17909" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102918" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102919 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31N5O5" ; chebi:inchi "InChI=1S/C24H31N5O5/c1-15-12-29(24(32)20-11-25-8-9-26-20)16(2)14-34-21-7-6-18(27-17(3)30)10-19(21)23(31)28(4)13-22(15)33-5/h6-11,15-16,22H,12-14H2,1-5H3,(H,27,30)/t15-,16+,22-/m0/s1" ; chebi:inchikey "PQYPJTAQDSWLTB-DMPWYTOCSA-N" ; chebi:mass "469.534" ; chebi:monoisotopicmass "469.23252" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=NC=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102919" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10292 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16124 ; owl:deprecated true . obo:CHEBI_102920 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C14H18N2O5" ; chebi:inchi "InChI=1S/C14H18N2O5/c17-8-12-11(2-1-10(21-12)7-13(18)19)16-14(20)9-3-5-15-6-4-9/h3-6,10-12,17H,1-2,7-8H2,(H,16,20)(H,18,19)/t10-,11+,12-/m0/s1" ; chebi:inchikey "PLQUATFCVTZMJC-TUAOUCFPSA-N" ; chebi:mass "294.304" ; chebi:monoisotopicmass "294.12157" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)O)CO)NC(=O)C2=CC=NC=C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102920" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid" . obo:CHEBI_102921 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c1-3-5-25(32)30-19-8-11-23-21(13-19)27(34)31(2)22-10-9-20(36-24(22)16-35-23)14-26(33)29-15-17-6-4-7-18(28)12-17/h4,6-8,11-13,20,22,24H,3,5,9-10,14-16H2,1-2H3,(H,29,33)(H,30,32)/t20-,22-,24-/m0/s1" ; chebi:inchikey "BYJFOJVMGKORHN-SSPYTLHUSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@H](O3)CC(=O)NCC4=CC(=CC=C4)F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102921" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide" . obo:CHEBI_102922 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-25-12-5-8-21(27)26(2)15-20-19(29-3)10-9-17(31-20)11-13-30-22-16(14-24)6-4-7-18(22)23(25)28/h4,6-7,17,19-20H,5,8-13,15H2,1-3H3/t17-,19-,20-/m1/s1" ; chebi:inchikey "DXVJXLONGZUJOS-MISYRCLQSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "CN1CCCC(=O)N(C[C@@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C1=O)C#N)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102922" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14268" . obo:CHEBI_102923 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O6" ; chebi:inchi "InChI=1S/C35H42N4O6/c1-22-18-39(23(2)20-40)34(41)33-32(27-13-9-10-14-29(27)38(33)4)26-12-8-7-11-24(26)21-45-31(22)19-37(3)35(42)36-28-16-15-25(43-5)17-30(28)44-6/h7-17,22-23,31,40H,18-21H2,1-6H3,(H,36,42)/t22-,23+,31-/m0/s1" ; chebi:inchikey "NTGYADANNGAILP-LWPQGVMLSA-N" ; chebi:mass "614.733" ; chebi:monoisotopicmass "614.31044" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102923" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14269" . obo:CHEBI_102924 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C14H18N2O5" ; chebi:inchi "InChI=1S/C14H18N2O5/c17-8-12-11(2-1-10(21-12)7-13(18)19)16-14(20)9-3-5-15-6-4-9/h3-6,10-12,17H,1-2,7-8H2,(H,16,20)(H,18,19)/t10-,11-,12+/m0/s1" ; chebi:inchikey "PLQUATFCVTZMJC-SDDRHHMPSA-N" ; chebi:mass "294.304" ; chebi:monoisotopicmass "294.12157" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)O)CO)NC(=O)C2=CC=NC=C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102924" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid" . obo:CHEBI_102925 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C23H34FN3O4" ; chebi:inchi "InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20+,21+,22-/m0/s1" ; chebi:inchikey "UZQWVSGPDQQYNK-CBPXPLCBSA-N" ; chebi:mass "435.533" ; chebi:monoisotopicmass "435.25333" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC(=CC=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102925" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_102926 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H30FN3O4" ; chebi:inchi "InChI=1S/C22H30FN3O4/c23-16-7-4-8-17(11-16)25-22(29)26-19-10-9-18(30-20(19)14-27)12-21(28)24-13-15-5-2-1-3-6-15/h4,7-11,15,18-20,27H,1-3,5-6,12-14H2,(H,24,28)(H2,25,26,29)/t18-,19-,20-/m0/s1" ; chebi:inchikey "PGYGWAGYUXBZHY-UFYCRDLUSA-N" ; chebi:mass "419.491" ; chebi:monoisotopicmass "419.22203" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102926" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(cyclohexylmethyl)-2-[(2R,3S,6R)-3-[[(3-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102927 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c1-3-5-25(32)30-19-8-11-23-21(13-19)27(34)31(2)22-10-9-20(36-24(22)16-35-23)14-26(33)29-15-17-6-4-7-18(28)12-17/h4,6-8,11-13,20,22,24H,3,5,9-10,14-16H2,1-2H3,(H,29,33)(H,30,32)/t20-,22-,24+/m1/s1" ; chebi:inchikey "BYJFOJVMGKORHN-BKULYWANSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC(=CC=C4)F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102927" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide" . obo:CHEBI_102928 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-35-23-9-5-8-22(16-23)30-28(34)31-25-15-14-24(36-26(25)18-32)17-27(33)29-21-12-10-20(11-13-21)19-6-3-2-4-7-19/h2-16,24-26,32H,17-18H2,1H3,(H,29,33)(H2,30,31,34)/t24-,25-,26-/m0/s1" ; chebi:inchikey "HIZAXMBYTZOIAT-GSDHBNRESA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102928" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_102929 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21-,22+,23+/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-MMORHLLASA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102929" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14275" . obo:CHEBI_10293 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27907 ; owl:deprecated true . obo:CHEBI_102930 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H39N3O6" ; chebi:inchi "InChI=1S/C30H39N3O6/c1-20-17-33(29(35)23-8-6-5-7-9-23)21(2)19-39-26-16-24(31-28(34)22-12-14-38-15-13-22)10-11-25(26)30(36)32(3)18-27(20)37-4/h5-11,16,20-22,27H,12-15,17-19H2,1-4H3,(H,31,34)/t20-,21+,27-/m0/s1" ; chebi:inchikey "ZEGIYGLHXRHVDM-ISCCLHIJSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.28389" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102930" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_102931 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C28H33N3O5" ; chebi:inchi "InChI=1S/C28H33N3O5/c1-17-6-8-19(9-7-17)29-26(32)15-21-11-12-23-25(36-21)16-35-24-13-10-20(14-22(24)28(34)31(23)2)30-27(33)18-4-3-5-18/h6-10,13-14,18,21,23,25H,3-5,11-12,15-16H2,1-2H3,(H,29,32)(H,30,33)/t21-,23+,25-/m1/s1" ; chebi:inchikey "MDXGSMRIHHEMMK-NMVJMZGASA-N" ; chebi:mass "491.580" ; chebi:monoisotopicmass "491.24202" ; chebi:smiles "CC1=CC=C(C=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCC5)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102931" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclobutanecarboxamide" . obo:CHEBI_102932 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H34F2N2O4S" ; chebi:inchi "InChI=1S/C24H34F2N2O4S/c1-17-6-9-22(10-7-17)33(30,31)28(19(3)16-29)13-18(2)24(32-5)15-27(4)14-20-12-21(25)8-11-23(20)26/h6-12,18-19,24,29H,13-16H2,1-5H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "VKCFDPYGFDYBIC-XLNZFTOWSA-N" ; chebi:mass "484.602" ; chebi:monoisotopicmass "484.22074" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102932" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_102933 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C26H28F3N3O6" ; chebi:inchi "InChI=1S/C26H28F3N3O6/c1-32-20-8-7-18(12-23(33)30-14-26(27,28)29)38-22(20)13-37-21-9-6-16(11-19(21)25(32)35)31-24(34)15-4-3-5-17(10-15)36-2/h3-6,9-11,18,20,22H,7-8,12-14H2,1-2H3,(H,30,33)(H,31,34)/t18-,20+,22+/m1/s1" ; chebi:inchikey "RKECGHSSKXUWCJ-CBQOVEMMSA-N" ; chebi:mass "535.513" ; chebi:monoisotopicmass "535.19302" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102933" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide" . obo:CHEBI_102934 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H28F2N2O5" ; chebi:inchi "InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17-,18-,19+/m1/s1" ; chebi:inchikey "LJZGTTWSAOWWCB-MKXGPGLRSA-N" ; chebi:mass "426.455" ; chebi:monoisotopicmass "426.19663" ; chebi:smiles "CCC(=O)N1C[C@H](COC[C@H]2[C@H]1CC[C@@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102934" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_102935 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20+,22-,24-/m0/s1" ; chebi:inchikey "YBRLGVDHYMUGPQ-ZDUIBRFZSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CCNC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)N[C@@H](C)C4=CC=CC=C4)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102935" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102936 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5" ; chebi:inchi "InChI=1S/C32H36FN3O5/c1-21-18-36(32(39)25-12-8-9-13-27(25)33)22(2)20-41-28-17-24(34-30(37)16-23-10-6-5-7-11-23)14-15-26(28)31(38)35(3)19-29(21)40-4/h5-15,17,21-22,29H,16,18-20H2,1-4H3,(H,34,37)/t21-,22+,29-/m0/s1" ; chebi:inchikey "QUELGMPZNWRZSJ-KERYWQKISA-N" ; chebi:mass "561.645" ; chebi:monoisotopicmass "561.26390" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102936" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_102937 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H33N3O6S" ; chebi:inchi "InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26-,28+/m1/s1" ; chebi:inchikey "IPBHQWGLWRAHKP-INOCPDNRSA-N" ; chebi:mass "563.667" ; chebi:monoisotopicmass "563.20901" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102937" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_102938 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C27H33FN4O5" ; chebi:inchi "InChI=1S/C27H33FN4O5/c1-16(2)30-27(35)31-19-8-11-23-21(12-19)26(34)32(3)22-10-9-20(37-24(22)15-36-23)13-25(33)29-14-17-4-6-18(28)7-5-17/h4-8,11-12,16,20,22,24H,9-10,13-15H2,1-3H3,(H,29,33)(H2,30,31,35)/t20-,22-,24+/m1/s1" ; chebi:inchikey "CMDXATVLXHEPLP-BKULYWANSA-N" ; chebi:mass "512.574" ; chebi:monoisotopicmass "512.24350" ; chebi:smiles "CC(C)NC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102938" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_102939 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H26N2O3" ; chebi:inchi "InChI=1S/C22H26N2O3/c1-27-15-21(26)24-19(13-23)22(20(24)14-25)18-11-9-17(10-12-18)8-4-7-16-5-2-3-6-16/h9-12,16,19-20,22,25H,2-3,5-7,14-15H2,1H3/t19-,20-,22+/m0/s1" ; chebi:inchikey "FOQJOAXBJHEYGA-JAXLGGSGSA-N" ; chebi:mass "366.454" ; chebi:monoisotopicmass "366.19434" ; chebi:smiles "COCC(=O)N1[C@H]([C@@H]([C@@H]1C#N)C2=CC=C(C=C2)C#CCC3CCCC3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102939" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile" . obo:CHEBI_10294 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27848 ; owl:deprecated true . obo:CHEBI_102940 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C16H28N2O4" ; chebi:inchi "InChI=1S/C16H28N2O4/c1-18-8-12(19)9-21-10-15-14(18)6-5-13(22-15)7-16(20)17-11-3-2-4-11/h11-15,19H,2-10H2,1H3,(H,17,20)/t12-,13+,14+,15-/m0/s1" ; chebi:inchikey "JDRFUATZRDBDCA-YJNKXOJESA-N" ; chebi:mass "312.405" ; chebi:monoisotopicmass "312.20491" ; chebi:smiles "CN1C[C@@H](COC[C@H]2[C@H]1CC[C@@H](O2)CC(=O)NC3CCC3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102940" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_102941 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H36N4O4" ; chebi:inchi "InChI=1S/C22H36N4O4/c1-14(2)23-22(28)24-17-8-9-18-19(10-17)30-13-16(4)25(5)11-15(3)20(29-7)12-26(6)21(18)27/h8-10,14-16,20H,11-13H2,1-7H3,(H2,23,24,28)/t15-,16+,20+/m1/s1" ; chebi:inchikey "AADVJQLQUVDEBP-GUXCAODWSA-N" ; chebi:mass "420.546" ; chebi:monoisotopicmass "420.27366" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102941" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_102942 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "0" ; chebi:formula "C19H26Cl2N2O4" ; chebi:inchi "InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14-,17-,18+/m0/s1" ; chebi:inchikey "ZCDZHCWZNJFIKB-DFEHZGFQSA-N" ; chebi:mass "417.327" ; chebi:monoisotopicmass "416.12696" ; chebi:smiles "CNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102942" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide" . obo:CHEBI_102943 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H30FN3O5" ; chebi:inchi "InChI=1S/C21H30FN3O5/c22-16-3-1-2-15(10-16)12-23-20(27)11-17-4-5-18(19(14-26)30-17)24-21(28)13-25-6-8-29-9-7-25/h1-3,10,17-19,26H,4-9,11-14H2,(H,23,27)(H,24,28)/t17-,18-,19+/m0/s1" ; chebi:inchikey "ZEQYNXCYKJRRAG-GBESFXJTSA-N" ; chebi:mass "423.479" ; chebi:monoisotopicmass "423.21695" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)NCC2=CC(=CC=C2)F)CO)NC(=O)CN3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102943" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102944 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30FN3O6S" ; chebi:inchi "InChI=1S/C25H30FN3O6S/c1-3-36(32,33)28-17-8-11-22-19(12-17)25(31)29(2)21-10-9-18(35-23(21)15-34-22)13-24(30)27-14-16-6-4-5-7-20(16)26/h4-8,11-12,18,21,23,28H,3,9-10,13-15H2,1-2H3,(H,27,30)/t18-,21-,23+/m1/s1" ; chebi:inchikey "MAZJZTZSELFTOO-AAIMPIBUSA-N" ; chebi:mass "519.588" ; chebi:monoisotopicmass "519.18394" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102944" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_102945 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H40N6O6" ; chebi:inchi "InChI=1S/C33H40N6O6/c1-20-31(21(2)45-37-20)36-33(42)35-23-9-12-28-26(15-23)32(41)38(3)27-11-10-25(44-29(27)19-43-28)16-30(40)34-24-13-14-39(18-24)17-22-7-5-4-6-8-22/h4-9,12,15,24-25,27,29H,10-11,13-14,16-19H2,1-3H3,(H,34,40)(H2,35,36,42)/t24-,25-,27+,29-/m0/s1" ; chebi:inchikey "JZQJXXSKGFWMTL-WLIZDUGGSA-N" ; chebi:mass "616.709" ; chebi:monoisotopicmass "616.30093" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@H](O4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102945" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_102946 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C26H32N6O3" ; chebi:inchi "InChI=1S/C26H32N6O3/c1-3-11-31-22-14-32-21(7-6-19(26(32)35)17-5-4-9-27-12-17)24(31)23(20(22)15-33)25(34)28-10-8-18-13-30(2)16-29-18/h4-7,9,12-13,16,20,22-24,33H,3,8,10-11,14-15H2,1-2H3,(H,28,34)/t20-,22-,23+,24+/m0/s1" ; chebi:inchikey "HJZHDZIYUXDLGN-IQFVJIFQSA-N" ; chebi:mass "476.572" ; chebi:monoisotopicmass "476.25359" ; chebi:smiles "CCCN1[C@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCCC5=CN(C=N5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102946" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14292" . obo:CHEBI_102947 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21+,22-,23-/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-QREOPNFFSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102947" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14293" . obo:CHEBI_102948 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O6S" ; chebi:inchi "InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18+,20-,22-/m0/s1" ; chebi:inchikey "LWPDCVYPXSZOFH-UPSSIMKTSA-N" ; chebi:mass "480.964" ; chebi:monoisotopicmass "480.11219" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102948" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_102949 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H32N4O6" ; chebi:inchi "InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16-,17+,18-/m0/s1" ; chebi:inchikey "XOXZVIQHUYDNGA-FJIDUMEYSA-N" ; chebi:mass "436.503" ; chebi:monoisotopicmass "436.23218" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4CC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102949" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_10295 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48649 . _:b256 rdf:type owl:Restriction . obo:CHEBI_10295 rdfs:subClassOf _:b256 . _:b256 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_48677 . obo:CHEBI_10295 chebi:charge "0" ; chebi:formula "C6H12O6" ; chebi:inchi "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1" ; chebi:inchikey "LKDRXBCSQODPBY-BGPJRJDNSA-N" ; chebi:mass "180.15588" ; chebi:monoisotopicmass "180.06339" ; chebi:smiles "OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10295" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-L-sorbopyranose" . obo:CHEBI_102950 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C35H36N4O4S" ; chebi:inchi "InChI=1S/C35H36N4O4S/c1-35(2,3)44(42)39-22-28-19-30(34(41)37-21-23-11-13-29(43-4)14-12-23)38-33(32(28)31(39)15-16-40)27-10-6-9-26(18-27)25-8-5-7-24(17-25)20-36/h5-14,17-19,31,40H,15-16,21-22H2,1-4H3,(H,37,41)/t31-,44-/m1/s1" ; chebi:inchikey "NEVKZQRLDPRUMB-VRESAINUSA-N" ; chebi:mass "608.752" ; chebi:monoisotopicmass "608.24573" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCC5=CC=C(C=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102950" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102951 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25-,28-,30-/m1/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-MFTQKCFDSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102951" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_102952 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C27H35N3O3" ; chebi:inchi "InChI=1S/C27H35N3O3/c1-18-14-30(19(2)16-31)27(32)26-25(22-12-8-9-13-23(22)29(26)5)21-11-7-6-10-20(21)17-33-24(18)15-28(3)4/h6-13,18-19,24,31H,14-17H2,1-5H3/t18-,19+,24+/m1/s1" ; chebi:inchikey "WKBGSUAXJVLQSN-IMWIBFENSA-N" ; chebi:mass "449.586" ; chebi:monoisotopicmass "449.26784" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102952" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14298" . obo:CHEBI_102953 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-17-14-26-18(2)16-32-22-11-10-20(27-24(29)12-19-8-6-5-7-9-19)13-21(22)25(30)28(3)15-23(17)31-4/h5-11,13,17-18,23,26H,12,14-16H2,1-4H3,(H,27,29)/t17-,18+,23-/m0/s1" ; chebi:inchikey "RIFMDYVXBSMSIP-IXFSTUDKSA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102953" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_102954 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C30H26F2N4O5" ; chebi:inchi "InChI=1S/C30H26F2N4O5/c1-36-25-10-8-21(14-28(37)35-24-12-19(31)6-9-23(24)32)41-27(25)16-40-26-11-7-20(13-22(26)30(36)39)34-29(38)18-4-2-17(15-33)3-5-18/h2-7,9,11-13,21,25,27H,8,10,14,16H2,1H3,(H,34,38)(H,35,37)/t21-,25+,27-/m1/s1" ; chebi:inchikey "HZZMILAACSDJOI-NKPLSRDGSA-N" ; chebi:mass "560.549" ; chebi:monoisotopicmass "560.18713" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C#N)CC(=O)NC5=C(C=CC(=C5)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102954" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(2,5-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide" . obo:CHEBI_102955 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33833 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C26H32N4O6" ; chebi:inchi "InChI=1S/C26H32N4O6/c1-15-11-20(29-36-15)25(32)28-17-7-10-22-19(12-17)26(33)30(2)21-9-8-18(35-23(21)14-34-22)13-24(31)27-16-5-3-4-6-16/h7,10-12,16,18,21,23H,3-6,8-9,13-14H2,1-2H3,(H,27,31)(H,28,32)/t18-,21+,23-/m0/s1" ; chebi:inchikey "OWLQYYZEQLHDAT-ZEYPLWLESA-N" ; chebi:mass "496.556" ; chebi:monoisotopicmass "496.23218" ; chebi:smiles "CC1=CC(=NO1)C(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@H](O4)CC(=O)NC5CCCC5)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102955" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-2-[2-(cyclopentylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_102956 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23-,25-,26+/m0/s1" ; chebi:inchikey "DIIJYNJFSHJSFY-NLJWQWLVSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "CN1C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102956" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14302" . obo:CHEBI_102957 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H38N4O5S" ; chebi:inchi "InChI=1S/C27H38N4O5S/c1-18-14-31(16-25-28-9-12-37-25)19(2)17-36-23-13-21(29-26(32)20-7-10-35-11-8-20)5-6-22(23)27(33)30(3)15-24(18)34-4/h5-6,9,12-13,18-20,24H,7-8,10-11,14-17H2,1-4H3,(H,29,32)/t18-,19-,24+/m0/s1" ; chebi:inchikey "FGARXSMYVPQAMN-AXHZCLLHSA-N" ; chebi:mass "530.682" ; chebi:monoisotopicmass "530.25629" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4=NC=CS4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102957" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_102958 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O5" ; chebi:inchi "InChI=1S/C27H36FN3O5/c1-18-13-31(14-20-7-6-8-21(28)11-20)19(2)16-36-24-12-22(29-26(32)17-34-4)9-10-23(24)27(33)30(3)15-25(18)35-5/h6-12,18-19,25H,13-17H2,1-5H3,(H,29,32)/t18-,19-,25+/m0/s1" ; chebi:inchikey "KGYIFIZLZVXLPC-XHNVNVPESA-N" ; chebi:mass "501.591" ; chebi:monoisotopicmass "501.26390" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102958" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_102959 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30ClN3O5S" ; chebi:inchi "InChI=1S/C23H30ClN3O5S/c1-15-12-25-16(2)14-32-21-11-18(26-33(29,30)19-7-5-6-17(24)10-19)8-9-20(21)23(28)27(3)13-22(15)31-4/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16-,22-/m1/s1" ; chebi:inchikey "PSXVKIUCJIMJLV-XCGNWRKASA-N" ; chebi:mass "496.021" ; chebi:monoisotopicmass "495.15947" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102959" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_10296 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17716 ; owl:deprecated true . obo:CHEBI_102960 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-10-6-8-19(24)12-21)22(32-4)14-25(3)33(28,29)20-9-5-7-18(23)11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17-,22-/m0/s1" ; chebi:inchikey "WFGAJOALFFTPKS-HOIFWPIMSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102960" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2R,3S)-4-[(3-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_102961 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29(2)24(31)14-19-10-11-21-23(35-19)16-34-22-12-9-18(13-20(22)25(32)30(21)3)28-26(33)27-15-17-7-5-4-6-8-17/h4-9,12-13,19,21,23H,10-11,14-16H2,1-3H3,(H2,27,28,33)/t19-,21+,23+/m1/s1" ; chebi:inchikey "IOGMTQBPALZMTJ-NWSQWKLXSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NCC4=CC=CC=C4)CC(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102961" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide" . obo:CHEBI_102962 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H32N2O5" ; chebi:inchi "InChI=1S/C29H32N2O5/c1-31(2)20-10-13-26-24(14-20)25-15-23(35-27(18-32)29(25)36-26)16-28(33)30-17-19-8-11-22(12-9-19)34-21-6-4-3-5-7-21/h3-14,23,25,27,29,32H,15-18H2,1-2H3,(H,30,33)/t23-,25+,27+,29-/m1/s1" ; chebi:inchikey "MRJCPWMBHXTRFB-KYYACDKCSA-N" ; chebi:mass "488.576" ; chebi:monoisotopicmass "488.23112" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102962" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_102963 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37FN6O6" ; chebi:inchi "InChI=1S/C30H37FN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-11-10-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-8-21(31)12-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18+,26+/m0/s1" ; chebi:inchikey "DJGRJRLVSKCCNZ-CUAXAMRHSA-N" ; chebi:mass "596.651" ; chebi:monoisotopicmass "596.27586" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102963" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7S,8S)-N-(3,5-dimethyl-4-isoxazolyl)-14-[[(3-fluoroanilino)-oxomethyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_102964 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26N2O6S" ; chebi:inchi "InChI=1S/C19H26N2O6S/c1-28(24,25)21-12-4-5-16-14(6-12)15-7-13(26-17(10-22)19(15)27-16)8-18(23)20-9-11-2-3-11/h4-6,11,13,15,17,19,21-22H,2-3,7-10H2,1H3,(H,20,23)/t13-,15+,17+,19-/m1/s1" ; chebi:inchikey "YSCGDHRCRJHNHR-FDZBUTDGSA-N" ; chebi:mass "410.486" ; chebi:monoisotopicmass "410.15116" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102964" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_102965 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O5" ; chebi:inchi "InChI=1S/C22H29Cl2N3O5/c23-17-6-4-14(8-18(17)24)26-22(30)27-10-15(28)11-31-12-20-19(27)7-5-16(32-20)9-21(29)25-13-2-1-3-13/h4,6,8,13,15-16,19-20,28H,1-3,5,7,9-12H2,(H,25,29)(H,26,30)/t15-,16+,19-,20+/m1/s1" ; chebi:inchikey "KPSAIAGNOOFEEI-GJJHYRHESA-N" ; chebi:mass "486.389" ; chebi:monoisotopicmass "485.14843" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC(=C(C=C4)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102965" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102966 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20-,21-,22+/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-RRJBWHJASA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102966" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14312" . obo:CHEBI_102967 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-30-10-9-24-22(27)13-16-12-19-18-11-15(25-33(28,29)17-5-3-2-4-6-17)7-8-20(18)32-23(19)21(14-26)31-16/h2-8,11,16,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t16-,19-,21-,23+/m0/s1" ; chebi:inchikey "GQLDDSCVBIFPRR-RAQQXGOJSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "COCCNC(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102967" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102968 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H23FN4O4" ; chebi:inchi "InChI=1S/C20H23FN4O4/c21-14-3-1-13(2-4-14)20(28)25-17-6-5-16(29-18(17)11-26)9-19(27)23-10-15-7-8-22-12-24-15/h1-4,7-8,12,16-18,26H,5-6,9-11H2,(H,23,27)(H,25,28)/t16-,17-,18-/m1/s1" ; chebi:inchikey "KXCVLZMSFBFHGZ-KZNAEPCWSA-N" ; chebi:mass "402.420" ; chebi:monoisotopicmass "402.17033" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102968" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide" . obo:CHEBI_102969 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23-,26+,28+/m1/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-MVSIMOHVSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102969" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_10297 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28771 ; owl:deprecated true . obo:CHEBI_102970 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33ClN2O4S" ; chebi:inchi "InChI=1S/C23H33ClN2O4S/c1-18(14-26(19(2)17-27)15-20-10-8-9-13-22(20)24)23(30-4)16-25(3)31(28,29)21-11-6-5-7-12-21/h5-13,18-19,23,27H,14-17H2,1-4H3/t18-,19+,23+/m1/s1" ; chebi:inchikey "BNYRIOADMGPGIR-MSYCTHLASA-N" ; chebi:mass "469.039" ; chebi:monoisotopicmass "468.18496" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102970" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_102971 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H39N3O5" ; chebi:inchi "InChI=1S/C28H39N3O5/c1-30-18-24-23(34-3)11-10-21(36-24)12-15-35-26-20(17-29)8-7-9-22(26)27(33)31(2)19-28(16-25(30)32)13-5-4-6-14-28/h7-9,21,23-24H,4-6,10-16,18-19H2,1-3H3/t21-,23-,24-/m0/s1" ; chebi:inchikey "NNLRSZHLKPFWRY-XWGVYQGASA-N" ; chebi:mass "497.627" ; chebi:monoisotopicmass "497.28897" ; chebi:smiles "CN1C[C@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(CC4(CCCCC4)CC1=O)C)C#N)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102971" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14317" . obo:CHEBI_102972 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C31H34N4O6" ; chebi:inchi "InChI=1S/C31H34N4O6/c1-35-25-9-8-22(18-29(36)33-16-13-20-11-14-32-15-12-20)41-28(25)19-40-27-10-7-21(17-24(27)31(35)38)34-30(37)23-5-3-4-6-26(23)39-2/h3-7,10-12,14-15,17,22,25,28H,8-9,13,16,18-19H2,1-2H3,(H,33,36)(H,34,37)/t22-,25-,28+/m1/s1" ; chebi:inchikey "PQVOHAVDCPBJEV-OKEQGEBHSA-N" ; chebi:mass "558.626" ; chebi:monoisotopicmass "558.24783" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4OC)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102972" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide" . obo:CHEBI_102973 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-25(2)15-3-4-19-17(9-15)18-10-16(28-20(13-26)22(18)29-19)11-21(27)24-12-14-5-7-23-8-6-14/h3-9,16,18,20,22,26H,10-13H2,1-2H3,(H,24,27)/t16-,18-,20-,22+/m0/s1" ; chebi:inchikey "ISIKKEOWKJPDMG-JXYHXMIBSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102973" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide" . obo:CHEBI_102974 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-18-14-32(19(2)16-33)28(34)25-13-9-8-12-24(25)23-11-7-6-10-22(23)17-36-26(18)15-31(5)29(35)27-20(3)30-37-21(27)4/h6-13,18-19,26,33H,14-17H2,1-5H3/t18-,19-,26+/m1/s1" ; chebi:inchikey "KKDNYDXSJAWXCE-UDCNLSRBSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4=C(ON=C4C)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102974" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14320" . obo:CHEBI_102975 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C22H31FN2O4" ; chebi:inchi "InChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18-,20-,21+/m0/s1" ; chebi:inchikey "LTCDBOWOUBSGLM-JYAXBFRTSA-N" ; chebi:mass "406.492" ; chebi:monoisotopicmass "406.22679" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CC4=CC=CC=C4F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102975" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_102976 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O5" ; chebi:inchi "InChI=1S/C27H33F3N2O5/c28-27(29,30)12-13-32-16-20(33)17-35-18-25-24(32)11-10-23(37-25)14-26(34)31-15-19-6-8-22(9-7-19)36-21-4-2-1-3-5-21/h1-9,20,23-25,33H,10-18H2,(H,31,34)/t20-,23-,24-,25+/m0/s1" ; chebi:inchikey "HZAABOSBDYXUMN-WAABAYLZSA-N" ; chebi:mass "522.558" ; chebi:monoisotopicmass "522.23416" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CCC(F)(F)F)O)O[C@@H]1CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102976" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_102977 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C16H21NO7S" ; chebi:inchi "InChI=1S/C16H21NO7S/c1-22-15(19)7-10-6-12-11-5-9(17-25(2,20)21)3-4-13(11)24-16(12)14(8-18)23-10/h3-5,10,12,14,16-18H,6-8H2,1-2H3/t10-,12+,14+,16-/m1/s1" ; chebi:inchikey "STSQWNRYWIJNCW-IFXMJZAHSA-N" ; chebi:mass "371.407" ; chebi:monoisotopicmass "371.10387" ; chebi:smiles "COC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102977" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102978 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H39N3O5" ; chebi:inchi "InChI=1S/C29H39N3O5/c1-19-15-32(16-21-6-11-24(35-4)12-7-21)20(2)18-37-26-13-10-23(30-28(33)22-8-9-22)14-25(26)29(34)31(3)17-27(19)36-5/h6-7,10-14,19-20,22,27H,8-9,15-18H2,1-5H3,(H,30,33)/t19-,20-,27-/m1/s1" ; chebi:inchikey "SOKZPMDKQQIJSP-SEXOINJZSA-N" ; chebi:mass "509.638" ; chebi:monoisotopicmass "509.28897" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=C(C=C4)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102978" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-5-[(4-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_102979 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c1-18(20-5-3-2-4-6-20)31-28(35)16-22-15-24-23-14-21(32-27(34)13-19-9-11-30-12-10-19)7-8-25(23)37-29(24)26(17-33)36-22/h2-12,14,18,22,24,26,29,33H,13,15-17H2,1H3,(H,31,35)(H,32,34)/t18-,22+,24-,26-,29+/m0/s1" ; chebi:inchikey "XWECZACFMCVSEP-BLOQNXOGSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102979" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_10298 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27432 ; owl:deprecated true . obo:CHEBI_102980 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26776 ; chebi:charge "0" ; chebi:formula "C19H18N2O" ; chebi:inchi "InChI=1S/C19H18N2O/c20-12-17-19(18(13-22)21-17)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-11,17-19,21-22H,13H2/t17-,18+,19+/m0/s1" ; chebi:inchikey "XJSDSDQJCAYADY-IPMKNSEASA-N" ; chebi:mass "290.360" ; chebi:monoisotopicmass "290.14191" ; chebi:smiles "C1=CC=C(C=C1)C=CC2=CC=C(C=C2)[C@H]3[C@H](N[C@H]3C#N)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102980" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14326" . obo:CHEBI_102981 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18-,20-,22+,25+/m0/s1" ; chebi:inchikey "ALLGXHRZPBERLG-WTCIDABWSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102981" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102982 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H32N4O5" ; chebi:inchi "InChI=1S/C25H32N4O5/c1-4-12-27-25(33)29-19-13-28-18(22(29)21(17(19)14-30)23(31)26-5-2)11-10-16(24(28)32)15-8-6-7-9-20(15)34-3/h6-11,17,19,21-22,30H,4-5,12-14H2,1-3H3,(H,26,31)(H,27,33)/t17-,19-,21+,22+/m1/s1" ; chebi:inchikey "RDJLSMVLUOAMPE-IVOMFYJKSA-N" ; chebi:mass "468.546" ; chebi:monoisotopicmass "468.23727" ; chebi:smiles "CCCNC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4OC)[C@H]1[C@H]([C@@H]2CO)C(=O)NCC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102982" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14328" . obo:CHEBI_102983 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C21H26N2O6" ; chebi:inchi "InChI=1S/C21H26N2O6/c24-12-19-16(22-21(26)14-4-7-17-18(10-14)28-13-27-17)6-5-15(29-19)11-20(25)23-8-2-1-3-9-23/h4-7,10,15-16,19,24H,1-3,8-9,11-13H2,(H,22,26)/t15-,16-,19+/m1/s1" ; chebi:inchikey "ZKMZGYJTUFHVCC-MDZRGWNJSA-N" ; chebi:mass "402.442" ; chebi:monoisotopicmass "402.17909" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102983" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102984 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O6S" ; chebi:inchi "InChI=1S/C23H28N2O6S/c1-32(28,29)25-16-7-8-20-18(11-16)19-12-17(30-21(14-26)23(19)31-20)13-22(27)24-10-9-15-5-3-2-4-6-15/h2-8,11,17,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,19-,21+,23+/m0/s1" ; chebi:inchikey "TVZJESBMTOHXDE-VARILPKDSA-N" ; chebi:mass "460.545" ; chebi:monoisotopicmass "460.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102984" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_102985 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H34N4O6" ; chebi:inchi "InChI=1S/C27H34N4O6/c1-30-9-11-31(12-10-30)25(33)15-20-14-22-21-13-18(5-8-23(21)37-26(22)24(16-32)36-20)29-27(34)28-17-3-6-19(35-2)7-4-17/h3-8,13,20,22,24,26,32H,9-12,14-16H2,1-2H3,(H2,28,29,34)/t20-,22+,24+,26-/m0/s1" ; chebi:inchikey "OQZDFPDHTDCUCP-RXDHMRHRSA-N" ; chebi:mass "510.583" ; chebi:monoisotopicmass "510.24783" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102985" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_102986 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N5O4S" ; chebi:inchi "InChI=1S/C22H27N5O4S/c1-16-4-7-19(8-5-16)32(29,30)25-20-9-6-18(31-22(20)15-28)10-12-27-14-21(24-26-27)17-3-2-11-23-13-17/h2-5,7-8,11,13-14,18,20,22,25,28H,6,9-10,12,15H2,1H3/t18-,20-,22-/m1/s1" ; chebi:inchikey "AGCDJJGGWAFKHW-SYYKKAFVSA-N" ; chebi:mass "457.548" ; chebi:monoisotopicmass "457.17838" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCN3C=C(N=N3)C4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102986" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide" . obo:CHEBI_102987 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-25(2)16-6-7-20-18(12-16)19-13-17(29-21(15-27)23(19)30-20)14-22(28)24-8-11-26-9-4-3-5-10-26/h6-7,12,17,19,21,23,27H,3-5,8-11,13-15H2,1-2H3,(H,24,28)/t17-,19-,21-,23+/m1/s1" ; chebi:inchikey "HWEAQBDEOFZYHR-LHWDRQQYSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCCN4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102987" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102988 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C37H46N4O4" ; chebi:inchi "InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26+,32-,33-/m1/s1" ; chebi:inchikey "UJZHWGMAKJZUOC-RZKQZDRJSA-N" ; chebi:mass "610.787" ; chebi:monoisotopicmass "610.35191" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102988" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14334" . obo:CHEBI_102989 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H32F3N3O3" ; chebi:inchi "InChI=1S/C24H32F3N3O3/c1-16(23(33-4)14-29(3)13-18-11-20(26)7-10-22(18)27)12-30(17(2)15-31)24(32)28-21-8-5-19(25)6-9-21/h5-11,16-17,23,31H,12-15H2,1-4H3,(H,28,32)/t16-,17+,23+/m0/s1" ; chebi:inchikey "FEKMHVLVYAIVTJ-YGKZAACZSA-N" ; chebi:mass "467.525" ; chebi:monoisotopicmass "467.23958" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102989" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_102990 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c30-17-23-21(28-25(32)22-16-26-10-11-27-22)7-6-20(33-23)15-24(31)29-12-8-19(9-13-29)14-18-4-2-1-3-5-18/h1-7,10-11,16,19-21,23,30H,8-9,12-15,17H2,(H,28,32)/t20-,21-,23-/m0/s1" ; chebi:inchikey "USGDOGGJJOICMT-FUDKSRODSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "C1CN(CCC1CC2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@@H]([C@@H](O3)CO)NC(=O)C4=NC=CN=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102990" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102991 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O5" ; chebi:inchi "InChI=1S/C30H38ClN5O5/c1-35-25-11-10-23(18-28(37)32-13-16-36-14-3-2-4-15-36)41-27(25)19-40-26-12-9-22(17-24(26)29(35)38)34-30(39)33-21-7-5-20(31)6-8-21/h5-9,12,17,23,25,27H,2-4,10-11,13-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t23-,25-,27+/m1/s1" ; chebi:inchikey "XIGYLWQKLZSYNZ-HYZYYIOASA-N" ; chebi:mass "584.107" ; chebi:monoisotopicmass "583.25615" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102991" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102992 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C24H23F3N2O6" ; chebi:inchi "InChI=1S/C24H23F3N2O6/c1-29-18-7-6-16(11-21(30)31)35-20(18)12-34-19-8-5-15(10-17(19)23(29)33)28-22(32)13-3-2-4-14(9-13)24(25,26)27/h2-5,8-10,16,18,20H,6-7,11-12H2,1H3,(H,28,32)(H,30,31)/t16-,18-,20-/m1/s1" ; chebi:inchikey "MPULVBUDJGIXBK-YVWKXTFCSA-N" ; chebi:mass "492.445" ; chebi:monoisotopicmass "492.15082" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102992" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_102993 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O5S" ; chebi:inchi "InChI=1S/C25H35N3O5S/c1-17-9-7-8-10-24(17)34(30,31)26-20-11-12-21-22(13-20)33-16-19(3)27(4)14-18(2)23(32-6)15-28(5)25(21)29/h7-13,18-19,23,26H,14-16H2,1-6H3/t18-,19-,23+/m1/s1" ; chebi:inchikey "VMCYUUKPCWGJCJ-PWHSHALESA-N" ; chebi:mass "489.630" ; chebi:monoisotopicmass "489.22974" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102993" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide" . obo:CHEBI_102994 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-2-13-29-28(36)32-23-17-31-22(9-6-10-24(31)34)26(32)25(21(23)18-33)27(35)30-14-11-20(12-15-30)16-19-7-4-3-5-8-19/h3-10,20-21,23,25-26,33H,2,11-18H2,1H3,(H,29,36)/t21-,23-,25+,26+/m1/s1" ; chebi:inchikey "VALQRGDBSGWYJJ-KUSCKROYSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "CCCNC(=O)N1[C@@H]2CN3C(=O)C=CC=C3[C@H]1[C@H]([C@@H]2CO)C(=O)N4CCC(CC4)CC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102994" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14340" . obo:CHEBI_102995 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32F2N4O4" ; chebi:inchi "InChI=1S/C25H32F2N4O4/c1-15-12-30(3)16(2)14-35-22-11-18(7-8-19(22)24(32)31(4)13-23(15)34-5)28-25(33)29-21-10-17(26)6-9-20(21)27/h6-11,15-16,23H,12-14H2,1-5H3,(H2,28,29,33)/t15-,16+,23-/m0/s1" ; chebi:inchikey "AKULYVRZEMKLJR-PXAQALGRSA-N" ; chebi:mass "490.544" ; chebi:monoisotopicmass "490.23916" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102995" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102996 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35ClN2O4S" ; chebi:inchi "InChI=1S/C24H35ClN2O4S/c1-18-10-12-22(13-11-18)32(29,30)26(4)16-24(31-5)19(2)14-27(20(3)17-28)15-21-8-6-7-9-23(21)25/h6-13,19-20,24,28H,14-17H2,1-5H3/t19-,20+,24+/m0/s1" ; chebi:inchikey "OWPXWWCVMFAFIQ-DCLXLUIPSA-N" ; chebi:mass "483.066" ; chebi:monoisotopicmass "482.20061" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@@H](C)CN(CC2=CC=CC=C2Cl)[C@H](C)CO)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102996" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_102997 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H29N3O6" ; chebi:inchi "InChI=1S/C21H29N3O6/c1-23-6-8-24(9-7-23)20(26)11-15-3-4-16(19(12-25)30-15)22-21(27)14-2-5-17-18(10-14)29-13-28-17/h2,5,10,15-16,19,25H,3-4,6-9,11-13H2,1H3,(H,22,27)/t15-,16+,19-/m1/s1" ; chebi:inchikey "OCHDOPTVTSINTO-JTDSTZFVSA-N" ; chebi:mass "419.472" ; chebi:monoisotopicmass "419.20564" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102997" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102998 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21-,22+,23-/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-NHYSTBNRSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102998" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14344" . obo:CHEBI_102999 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5S" ; chebi:inchi "InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(25-13-7-9-15-27(25)35(31)4)24-12-6-5-11-23(24)20-41-28(21)18-34(3)42(39,40)29-16-10-8-14-26(29)33/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28+/m1/s1" ; chebi:inchikey "PCQGWFREXHAZIT-WENCSYSZSA-N" ; chebi:mass "593.711" ; chebi:monoisotopicmass "593.23597" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102999" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14345" . obo:CHEBI_103 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15411 ; owl:deprecated true . obo:CHEBI_1030 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17764 ; owl:deprecated true . obo:CHEBI_10300 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18167 ; owl:deprecated true . obo:CHEBI_103000 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C25H29N3O3" ; chebi:inchi "InChI=1S/C25H29N3O3/c1-31-21-13-11-18(12-14-21)17-7-9-19(10-8-17)24-22(15-26)28(23(24)16-29)25(30)27-20-5-3-2-4-6-20/h7-14,20,22-24,29H,2-6,16H2,1H3,(H,27,30)/t22-,23-,24-/m0/s1" ; chebi:inchikey "UEJLJRRJJUOYFY-HJOGWXRNSA-N" ; chebi:mass "419.517" ; chebi:monoisotopicmass "419.22089" ; chebi:smiles "COC1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@H]3C#N)C(=O)NC4CCCCC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103000" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide" . obo:CHEBI_103001 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C30H41N3O4" ; chebi:inchi "InChI=1S/C30H41N3O4/c1-21-17-33(22(2)19-34)29(35)27-16-10-9-15-26(27)25-14-8-7-11-23(25)20-37-28(21)18-32(3)30(36)31-24-12-5-4-6-13-24/h7-11,14-16,21-22,24,28,34H,4-6,12-13,17-20H2,1-3H3,(H,31,36)/t21-,22-,28+/m1/s1" ; chebi:inchikey "FOMDXHZXOKRLRD-XJGOYTCSSA-N" ; chebi:mass "507.665" ; chebi:monoisotopicmass "507.30971" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4CCCCC4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103001" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14347" . obo:CHEBI_103002 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21+,22+,23+/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-UNVSHWJJSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103002" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14348" . obo:CHEBI_103003 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O3" ; chebi:inchi "InChI=1S/C27H36N2O3/c1-19-14-29(20(2)17-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-22(23)18-32-26(19)16-28(3)15-21-12-13-21/h4-11,19-21,26,30H,12-18H2,1-3H3/t19-,20+,26+/m0/s1" ; chebi:inchikey "XOTAGUVNSWBDBY-OUDXUNEISA-N" ; chebi:mass "436.587" ; chebi:monoisotopicmass "436.27259" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4CC4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103003" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14349" . obo:CHEBI_103004 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C30H36FN3O5" ; chebi:inchi "InChI=1S/C30H36FN3O5/c1-34-25-12-11-23(16-28(35)32-17-19-6-3-2-4-7-19)39-27(25)18-38-26-13-10-22(15-24(26)30(34)37)33-29(36)20-8-5-9-21(31)14-20/h5,8-10,13-15,19,23,25,27H,2-4,6-7,11-12,16-18H2,1H3,(H,32,35)(H,33,36)/t23-,25+,27-/m1/s1" ; chebi:inchikey "BSKZHQCAOYVBFU-NRRYGQPISA-N" ; chebi:mass "537.623" ; chebi:monoisotopicmass "537.26390" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)F)CC(=O)NCC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103004" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide" . obo:CHEBI_103005 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21+,22+,23-/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-OMYJKWGRSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103005" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14351" . obo:CHEBI_103006 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C31H41N3O6" ; chebi:inchi "InChI=1S/C31H41N3O6/c1-38-28-10-6-5-9-26(28)32-31(37)34-19-24(35)20-39-21-29-27(34)12-11-25(40-29)18-30(36)33-15-13-23(14-16-33)17-22-7-3-2-4-8-22/h2-10,23-25,27,29,35H,11-21H2,1H3,(H,32,37)/t24-,25+,27-,29+/m1/s1" ; chebi:inchikey "PLPDORRRKBPITR-IMBSVQIASA-N" ; chebi:mass "551.675" ; chebi:monoisotopicmass "551.29954" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103006" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_103007 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-34-23-5-3-2-4-21(23)29-26(33)30-15-19(31)16-35-17-24-22(30)7-6-20(36-24)14-25(32)28-13-10-18-8-11-27-12-9-18/h2-5,8-9,11-12,19-20,22,24,31H,6-7,10,13-17H2,1H3,(H,28,32)(H,29,33)/t19-,20-,22-,24+/m1/s1" ; chebi:inchikey "YKBSBMDVZJDWJN-RKONGDRVSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCCC4=CC=NC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103007" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8R,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_103008 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N3O4" ; chebi:inchi "InChI=1S/C22H32F3N3O4/c1-14(19(32-4)12-27(3)20(30)16-5-6-16)11-28(15(2)13-29)21(31)26-18-9-7-17(8-10-18)22(23,24)25/h7-10,14-16,19,29H,5-6,11-13H2,1-4H3,(H,26,31)/t14-,15-,19+/m0/s1" ; chebi:inchikey "GUZASBNVYSIPQO-YZVOILCLSA-N" ; chebi:mass "459.503" ; chebi:monoisotopicmass "459.23449" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)C(=O)C2CC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103008" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide" . obo:CHEBI_103009 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H28F3N3O5S" ; chebi:inchi "InChI=1S/C19H28F3N3O5S/c1-12-8-23-13(2)10-30-16-7-14(24-31(27,28)11-19(20,21)22)5-6-15(16)18(26)25(3)9-17(12)29-4/h5-7,12-13,17,23-24H,8-11H2,1-4H3/t12-,13+,17-/m1/s1" ; chebi:inchikey "BGDCTPQGAPJUMB-IIYDPXPESA-N" ; chebi:mass "467.505" ; chebi:monoisotopicmass "467.17018" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103009" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_103010 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-38-28(21)18-31(3)39(35,36)29-16-10-9-15-27(29)37-4/h5-16,21-22,28,33H,17-20H2,1-4H3/t21-,22-,28-/m0/s1" ; chebi:inchikey "IDILRECQKBLRIF-VPYPWEPUSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103010" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14356" . obo:CHEBI_103011 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H30N4O6" ; chebi:inchi "InChI=1S/C28H30N4O6/c1-36-20-8-5-17(6-9-20)31-28(35)32-18-7-10-24-22(12-18)23-13-21(37-25(16-33)27(23)38-24)14-26(34)30-15-19-4-2-3-11-29-19/h2-12,21,23,25,27,33H,13-16H2,1H3,(H,30,34)(H2,31,32,35)/t21-,23+,25+,27-/m0/s1" ; chebi:inchikey "FWDZHOQSJMEDFJ-BBVYRSAVSA-N" ; chebi:mass "518.562" ; chebi:monoisotopicmass "518.21653" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103011" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_103012 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C29H37FN2O6S" ; chebi:inchi "InChI=1S/C29H37FN2O6S/c30-25-8-4-5-9-28(25)39(35,36)32-18-23(33)19-37-20-27-26(32)11-10-24(38-27)17-29(34)31-14-12-22(13-15-31)16-21-6-2-1-3-7-21/h1-9,22-24,26-27,33H,10-20H2/t23-,24+,26-,27+/m0/s1" ; chebi:inchikey "SAJFZBDCMOWFNB-AEZNDSDVSA-N" ; chebi:mass "560.679" ; chebi:monoisotopicmass "560.23564" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2S(=O)(=O)C3=CC=CC=C3F)O)O[C@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103012" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone" . obo:CHEBI_103013 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H35N3O5" ; chebi:inchi "InChI=1S/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20-,22+,24+/m0/s1" ; chebi:inchikey "GFIPGJIGSRXJBU-YCYVKTGYSA-N" ; chebi:mass "457.563" ; chebi:monoisotopicmass "457.25767" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103013" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea" . obo:CHEBI_103014 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H15FN2O" ; chebi:inchi "InChI=1S/C19H15FN2O/c20-16-4-2-1-3-14(16)8-5-13-6-9-15(10-7-13)19-17(11-21)22-18(19)12-23/h1-4,6-7,9-10,17-19,22-23H,12H2/t17-,18-,19-/m0/s1" ; chebi:inchikey "BQRBXGWYUGGWQF-FHWLQOOXSA-N" ; chebi:mass "306.334" ; chebi:monoisotopicmass "306.11684" ; chebi:smiles "C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103014" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_103015 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c1-32-24-8-7-22(16-27(33)30-19-4-3-5-21(14-19)36-2)39-26(24)17-38-25-9-6-20(15-23(25)29(32)35)31-28(34)18-10-12-37-13-11-18/h3-6,9,14-15,18,22,24,26H,7-8,10-13,16-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,24-,26-/m1/s1" ; chebi:inchikey "VRPVHEJOGHTQDQ-QIGHUWCUSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103015" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_103016 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F3N5O5" ; chebi:inchi "InChI=1S/C25H32F3N5O5/c1-32-11-18(30-15-32)8-9-29-23(35)10-20-6-7-21-22(38-20)14-37-13-19(34)12-33(21)24(36)31-17-4-2-16(3-5-17)25(26,27)28/h2-5,11,15,19-22,34H,6-10,12-14H2,1H3,(H,29,35)(H,31,36)/t19-,20-,21+,22-/m0/s1" ; chebi:inchikey "TWGHTEGHSVIJBR-KJJMTIBFSA-N" ; chebi:mass "539.548" ; chebi:monoisotopicmass "539.23555" ; chebi:smiles "CN1C=C(N=C1)CCNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC=C(C=C4)C(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103016" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-3-hydroxy-8-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_103017 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C31H30FN3O7" ; chebi:inchi "InChI=1S/C31H30FN3O7/c1-35-24-9-8-20(14-29(36)33-15-18-6-10-26-27(12-18)41-17-40-26)42-28(24)16-39-25-11-7-19(13-22(25)31(35)38)34-30(37)21-4-2-3-5-23(21)32/h2-7,10-13,20,24,28H,8-9,14-17H2,1H3,(H,33,36)(H,34,37)/t20-,24+,28-/m0/s1" ; chebi:inchikey "GPWYEVCXUJXIOI-VGKYISKLSA-N" ; chebi:mass "575.585" ; chebi:monoisotopicmass "575.20678" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103017" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide" . obo:CHEBI_103018 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C24H28N4O4" ; chebi:inchi "InChI=1S/C24H28N4O4/c29-17-22-21(26-24(31)18-8-10-25-11-9-18)7-6-20(32-22)16-23(30)28-14-12-27(13-15-28)19-4-2-1-3-5-19/h1-11,20-22,29H,12-17H2,(H,26,31)/t20-,21+,22-/m0/s1" ; chebi:inchikey "BQXPJFPCKYJDQK-BDTNDASRSA-N" ; chebi:mass "436.504" ; chebi:monoisotopicmass "436.21106" ; chebi:smiles "C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)C4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103018" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_103019 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H36N4O6" ; chebi:inchi "InChI=1S/C32H36N4O6/c1-36-27-13-12-25(19-30(37)33-16-15-21-7-4-3-5-8-21)42-29(27)20-41-28-14-11-23(18-26(28)31(36)38)35-32(39)34-22-9-6-10-24(17-22)40-2/h3-11,14,17-18,25,27,29H,12-13,15-16,19-20H2,1-2H3,(H,33,37)(H2,34,35,39)/t25-,27-,29+/m1/s1" ; chebi:inchikey "UEIQSFPBDLFQGU-NLFWHDTNSA-N" ; chebi:mass "572.653" ; chebi:monoisotopicmass "572.26348" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)OC)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103019" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_10302 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35338 ; chebi:charge "0" ; chebi:formula "C9H13NO" ; chebi:inchi "InChI=1S/C9H13NO/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5,10H2,1H3" ; chebi:inchikey "WTDGMHYYGNJEKQ-UHFFFAOYSA-N" ; chebi:mass "151.206" ; chebi:monoisotopicmass "151.09971" ; chebi:smiles "CC(N)Cc1cccc(O)c1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10302" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Methyl-m-tyramine" . obo:CHEBI_103020 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23-,29-/m0/s1" ; chebi:inchikey "VHDWJFVGOVHSLC-BOSRLCDASA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103020" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14366" . obo:CHEBI_103021 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H28N2O6S" ; chebi:inchi "InChI=1S/C20H28N2O6S/c1-29(25,26)22-13-6-7-17-15(8-13)16-9-14(27-18(11-23)20(16)28-17)10-19(24)21-12-4-2-3-5-12/h6-8,12,14,16,18,20,22-23H,2-5,9-11H2,1H3,(H,21,24)/t14-,16+,18+,20-/m0/s1" ; chebi:inchikey "BEWGTMHICYCEOA-UQWBFEFOSA-N" ; chebi:mass "424.513" ; chebi:monoisotopicmass "424.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NC4CCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103021" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide" . obo:CHEBI_103022 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)12-25-11-16)9-20(24)22-15-7-13-3-1-2-4-14(13)8-15/h1-4,15-19,21,23H,5-12H2,(H,22,24)/t16-,17+,18-,19+/m0/s1" ; chebi:inchikey "VINMFOKKSKWMTO-ZSYWTGECSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@H]1CC(=O)NC3CC4=CC=CC=C4C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103022" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_103023 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H19N3O3" ; chebi:inchi "InChI=1S/C19H19N3O3/c1-25-17-10-6-5-9-14(17)21-19(24)22-15(11-20)18(16(22)12-23)13-7-3-2-4-8-13/h2-10,15-16,18,23H,12H2,1H3,(H,21,24)/t15-,16-,18+/m1/s1" ; chebi:inchikey "MOIIHOSYSQGYMW-NUJGCVRESA-N" ; chebi:mass "337.373" ; chebi:monoisotopicmass "337.14264" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2[C@@H]([C@H]([C@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103023" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide" . obo:CHEBI_103024 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-30-10-9-24-22(27)13-16-12-19-18-11-15(25-33(28,29)17-5-3-2-4-6-17)7-8-20(18)32-23(19)21(14-26)31-16/h2-8,11,16,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t16-,19+,21+,23-/m0/s1" ; chebi:inchikey "GQLDDSCVBIFPRR-DLBBVRJLSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "COCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103024" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_103025 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H34N2O5S" ; chebi:inchi "InChI=1S/C29H34N2O5S/c1-6-36-28(33)24-17-22-18-31(37(34)29(2,3)4)25(13-14-32)26(22)27(30-24)21-11-7-9-19(15-21)20-10-8-12-23(16-20)35-5/h7-12,15-17,25,32H,6,13-14,18H2,1-5H3/t25-,37?/m1/s1" ; chebi:inchikey "DOYGEULPHZGEAI-JWPKJQAESA-N" ; chebi:mass "522.658" ; chebi:monoisotopicmass "522.21884" ; chebi:smiles "CCOC(=O)C1=NC(=C2[C@H](N(CC2=C1)S(=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103025" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester" . obo:CHEBI_103026 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O5" ; chebi:inchi "InChI=1S/C23H35N3O5/c1-7-21(27)24-17-9-10-19-18(11-17)23(29)25(5)13-20(30-6)15(3)12-26(22(28)8-2)16(4)14-31-19/h9-11,15-16,20H,7-8,12-14H2,1-6H3,(H,24,27)/t15-,16+,20+/m1/s1" ; chebi:inchikey "ILJGMXMVVDGLNM-GUXCAODWSA-N" ; chebi:mass "433.542" ; chebi:monoisotopicmass "433.25767" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103026" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_103027 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32Cl2N2O4S" ; chebi:inchi "InChI=1S/C23H32Cl2N2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)25)23(31-4)15-26(3)32(29,30)21-11-9-20(24)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18+,23-/m1/s1" ; chebi:inchikey "JYNGQINEBKOLSY-IEGUWTFLSA-N" ; chebi:mass "503.484" ; chebi:monoisotopicmass "502.14598" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103027" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_103028 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C21H21F4N3O3" ; chebi:inchi "InChI=1S/C21H21F4N3O3/c1-27-17-13(14(9-29)18(27)19(30)26-10-21(23,24)25)8-28-16(17)7-6-12(20(28)31)11-4-2-3-5-15(11)22/h2-7,13-14,17-18,29H,8-10H2,1H3,(H,26,30)/t13-,14-,17+,18-/m0/s1" ; chebi:inchikey "IFOYIUHYIPKUPM-ZZCKCESHSA-N" ; chebi:mass "439.404" ; chebi:monoisotopicmass "439.15190" ; chebi:smiles "CN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4F)[C@@H]([C@H]1C(=O)NCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103028" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(2-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_103029 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22-,27+,28+/m1/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-BIQRORRISA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H]4CCCN4C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103029" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14375" . obo:CHEBI_10303 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25384 ; chebi:charge "0" ; chebi:formula "C10H13NO3" ; chebi:inchi "InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-3-2-4-8(12)5-7/h2-5,12H,6,11H2,1H3,(H,13,14)" ; chebi:inchikey "CAHPJJJZLQXPKS-UHFFFAOYSA-N" ; chebi:mass "195.216" ; chebi:monoisotopicmass "195.08954" ; chebi:smiles "CC(N)(Cc1cccc(O)c1)C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10303" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Methyl-m-tyrosine" . obo:CHEBI_103030 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31FN2O5S" ; chebi:inchi "InChI=1S/C23H31FN2O5S/c1-17(14-26(18(2)16-27)32(29,30)19-10-6-5-7-11-19)22(31-4)15-25(3)23(28)20-12-8-9-13-21(20)24/h5-13,17-18,22,27H,14-16H2,1-4H3/t17-,18+,22-/m1/s1" ; chebi:inchikey "CZAUCXDPQANXEN-KGVIQGDOSA-N" ; chebi:mass "466.568" ; chebi:monoisotopicmass "466.19377" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103030" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_103031 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36F3N5O5" ; chebi:inchi "InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16+,22+/m0/s1" ; chebi:inchikey "PCJFVZCPKBPEAR-WJONJSRFSA-N" ; chebi:mass "555.591" ; chebi:monoisotopicmass "555.26685" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103031" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_103032 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21-,24+,26-,28-/m0/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-WINGKJCMSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103032" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_103033 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H30N4O6" ; chebi:inchi "InChI=1S/C28H30N4O6/c1-36-20-8-5-17(6-9-20)31-28(35)32-18-7-10-24-22(12-18)23-13-21(37-25(16-33)27(23)38-24)14-26(34)30-15-19-4-2-3-11-29-19/h2-12,21,23,25,27,33H,13-16H2,1H3,(H,30,34)(H2,31,32,35)/t21-,23+,25-,27-/m1/s1" ; chebi:inchikey "FWDZHOQSJMEDFJ-WWUYVNTOSA-N" ; chebi:mass "518.562" ; chebi:monoisotopicmass "518.21653" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103033" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_103034 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H19FN2O3S" ; chebi:inchi "InChI=1S/C21H19FN2O3S/c1-2-28(26,27)24-19(13-23)21(20(24)14-25)17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)22/h3-6,8-9,11-12,19-21,25H,2,14H2,1H3/t19-,20+,21-/m1/s1" ; chebi:inchikey "UCQARJGLVBPITC-QHAWAJNXSA-N" ; chebi:mass "398.452" ; chebi:monoisotopicmass "398.11004" ; chebi:smiles "CCS(=O)(=O)N1[C@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C#CC3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103034" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_103035 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C24H23F3N2O6" ; chebi:inchi "InChI=1S/C24H23F3N2O6/c1-29-18-7-6-16(11-21(30)31)35-20(18)12-34-19-8-5-15(10-17(19)23(29)33)28-22(32)13-3-2-4-14(9-13)24(25,26)27/h2-5,8-10,16,18,20H,6-7,11-12H2,1H3,(H,28,32)(H,30,31)/t16-,18+,20+/m1/s1" ; chebi:inchikey "MPULVBUDJGIXBK-KPFFTGBYSA-N" ; chebi:mass "492.445" ; chebi:monoisotopicmass "492.15082" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103035" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_103036 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H25ClF3N3O5" ; chebi:inchi "InChI=1S/C25H25ClF3N3O5/c1-32-19-8-7-15(11-22(33)30-13-25(27,28)29)37-21(19)12-36-20-9-6-14(10-17(20)24(32)35)31-23(34)16-4-2-3-5-18(16)26/h2-6,9-10,15,19,21H,7-8,11-13H2,1H3,(H,30,33)(H,31,34)/t15-,19-,21+/m1/s1" ; chebi:inchikey "KEGRQPVLAXHQPZ-VMRPVKRXSA-N" ; chebi:mass "539.932" ; chebi:monoisotopicmass "539.14348" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103036" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide" . obo:CHEBI_103037 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H30N2O5S" ; chebi:inchi "InChI=1S/C24H30N2O5S/c1-17-6-9-21(10-7-17)32(29,30)25-22-11-8-20(31-23(22)16-27)14-24(28)26-13-12-18-4-2-3-5-19(18)15-26/h2-7,9-10,20,22-23,25,27H,8,11-16H2,1H3/t20-,22-,23-/m1/s1" ; chebi:inchikey "YSHLOQAWMNLOEI-YMPZKCBVSA-N" ; chebi:mass "458.572" ; chebi:monoisotopicmass "458.18754" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103037" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide" . obo:CHEBI_103038 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-18(2)29-27(34)30-21-10-11-23-24(13-21)36-17-20(4)32(15-22-9-7-8-12-28-22)14-19(3)25(35-6)16-31(5)26(23)33/h7-13,18-20,25H,14-17H2,1-6H3,(H2,29,30,34)/t19-,20+,25+/m1/s1" ; chebi:inchikey "YDXYYDXTJISMJT-RNHFSVANSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103038" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_103039 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27Cl2N3O5" ; chebi:inchi "InChI=1S/C23H27Cl2N3O5/c1-32-20-5-3-2-4-18(20)27-23(31)28-19-9-7-15(33-21(19)13-29)11-22(30)26-12-14-6-8-16(24)17(25)10-14/h2-6,8,10,15,19,21,29H,7,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,19-,21+/m1/s1" ; chebi:inchikey "XCDRDXJNPKYISK-VMRPVKRXSA-N" ; chebi:mass "496.384" ; chebi:monoisotopicmass "495.13278" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103039" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,4-dichlorophenyl)methyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_10304 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33567 ; chebi:charge "0" ; chebi:formula "C9H13NO3" ; chebi:inchi "InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1" ; chebi:inchikey "GEFQWZLICWMTKF-CDUCUWFYSA-N" ; chebi:mass "183.205" ; chebi:monoisotopicmass "183.08954" ; chebi:smiles "C[C@H](N)[C@H](O)c1ccc(O)c(O)c1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10304" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(-)-alpha-Methylnoradrenaline" . obo:CHEBI_103040 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H15FN2O2" ; chebi:inchi "InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16-,17-/m0/s1" ; chebi:inchikey "BPKNALSRVQDTLI-ULQDDVLXSA-N" ; chebi:mass "310.323" ; chebi:monoisotopicmass "310.11176" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@@H](N([C@H]2C#N)C(=O)C3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103040" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_103041 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C19H19FN2O3S" ; chebi:inchi "InChI=1S/C19H19FN2O3S/c1-2-26(24,25)22-17(11-21)19(18(22)12-23)14-8-6-13(7-9-14)15-4-3-5-16(20)10-15/h3-10,17-19,23H,2,12H2,1H3/t17-,18+,19+/m1/s1" ; chebi:inchikey "FWARPLPHHGVTHJ-QYZOEREBSA-N" ; chebi:mass "374.431" ; chebi:monoisotopicmass "374.11004" ; chebi:smiles "CCS(=O)(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC(=CC=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103041" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-1-ethylsulfonyl-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_103042 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H34ClN3O6S" ; chebi:inchi "InChI=1S/C31H34ClN3O6S/c1-19(2)20-7-6-8-21(15-20)33-30(36)17-23-12-13-26-28(41-23)18-40-27-14-11-22(16-24(27)31(37)35(26)3)34-42(38,39)29-10-5-4-9-25(29)32/h4-11,14-16,19,23,26,28,34H,12-13,17-18H2,1-3H3,(H,33,36)/t23-,26+,28-/m1/s1" ; chebi:inchikey "ZFXZNAWVDNVUMV-RXWNPYQGSA-N" ; chebi:mass "612.138" ; chebi:monoisotopicmass "611.18568" ; chebi:smiles "CC(C)C1=CC(=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5Cl)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103042" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(3-propan-2-ylphenyl)acetamide" . obo:CHEBI_103043 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-3-12-28-27(35)31-22-14-30-21(11-10-19(26(30)34)16-6-4-9-18(13-16)36-2)24(31)23(20(22)15-32)25(33)29-17-7-5-8-17/h4,6,9-11,13,17,20,22-24,32H,3,5,7-8,12,14-15H2,1-2H3,(H,28,35)(H,29,33)/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "BCMXGMGGSHUCMP-AZOUXBGGSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CCCNC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)OC)[C@H]1[C@H]([C@@H]2CO)C(=O)NC5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103043" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14389" . obo:CHEBI_103044 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26FN3O5S" ; chebi:inchi "InChI=1S/C19H26FN3O5S/c1-22-7-9-23(10-8-22)19(25)12-15-5-6-17(18(13-24)28-15)21-29(26,27)16-4-2-3-14(20)11-16/h2-6,11,15,17-18,21,24H,7-10,12-13H2,1H3/t15-,17-,18-/m1/s1" ; chebi:inchikey "BAJOMULNWMTCGT-KBAYOESNSA-N" ; chebi:mass "427.492" ; chebi:monoisotopicmass "427.15772" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103044" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]benzenesulfonamide" . obo:CHEBI_103045 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H39N3O7S" ; chebi:inchi "InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23-,25+,27+,28-/m1/s1" ; chebi:inchikey "IXXIZSABFJAVRH-DXTQFLITSA-N" ; chebi:mass "573.703" ; chebi:monoisotopicmass "573.25087" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103045" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_103046 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33N3O6S" ; chebi:inchi "InChI=1S/C23H33N3O6S/c1-26-19-10-9-17(13-22(27)24-15-6-4-3-5-7-15)32-21(19)14-31-20-11-8-16(25-33(2,29)30)12-18(20)23(26)28/h8,11-12,15,17,19,21,25H,3-7,9-10,13-14H2,1-2H3,(H,24,27)/t17-,19+,21-/m0/s1" ; chebi:inchikey "VOOHCFNIWPJMMM-DSKINZAPSA-N" ; chebi:mass "479.592" ; chebi:monoisotopicmass "479.20901" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103046" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-cyclohexylacetamide" . obo:CHEBI_103047 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H32N2O5" ; chebi:inchi "InChI=1S/C24H32N2O5/c27-13-21-23-19(11-17(30-21)12-22(28)25-15-6-1-2-7-15)18-10-16(8-9-20(18)31-23)26-24(29)14-4-3-5-14/h8-10,14-15,17,19,21,23,27H,1-7,11-13H2,(H,25,28)(H,26,29)/t17-,19-,21-,23+/m0/s1" ; chebi:inchikey "MOMUNQNAFOIKEQ-RAKJYXHLSA-N" ; chebi:mass "428.522" ; chebi:monoisotopicmass "428.23112" ; chebi:smiles "C1CCC(C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103047" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-3-[2-(cyclopentylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_103048 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-23(2)20(26)10-14-9-16-15-8-13(22-19(25)7-12-3-4-12)5-6-17(15)28-21(16)18(11-24)27-14/h5-6,8,12,14,16,18,21,24H,3-4,7,9-11H2,1-2H3,(H,22,25)/t14-,16+,18-,21-/m0/s1" ; chebi:inchikey "PPHZKQYZEIZDOF-WTFQOOOSSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "CN(C)C(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103048" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_103049 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H21F4N3O3" ; chebi:inchi "InChI=1S/C21H21F4N3O3/c22-13-4-1-3-12(7-13)8-28-18-14(9-27-16(18)5-2-6-17(27)30)15(10-29)19(28)20(31)26-11-21(23,24)25/h1-7,14-15,18-19,29H,8-11H2,(H,26,31)/t14-,15-,18+,19-/m0/s1" ; chebi:inchikey "LKWCVEYJHHUNKM-SAKMYQHLSA-N" ; chebi:mass "439.404" ; chebi:monoisotopicmass "439.15190" ; chebi:smiles "C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=CC(=O)N31)CC4=CC(=CC=C4)F)C(=O)NCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103049" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_10305 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17850 ; owl:deprecated true . obo:CHEBI_103050 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21-,23+,25-,27-/m0/s1" ; chebi:inchikey "ISBRQPNQXSURAN-DWEXDDMVSA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103050" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_103051 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H41N3O5" ; chebi:inchi "InChI=1S/C28H41N3O5/c1-18-15-31(26(32)13-20-9-10-20)19(2)17-36-24-14-22(29-27(33)21-7-5-6-8-21)11-12-23(24)28(34)30(3)16-25(18)35-4/h11-12,14,18-21,25H,5-10,13,15-17H2,1-4H3,(H,29,33)/t18-,19+,25-/m1/s1" ; chebi:inchikey "MFGGAADVNSTJDM-HHJKRLRDSA-N" ; chebi:mass "499.643" ; chebi:monoisotopicmass "499.30462" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103051" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_103052 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H33ClF3N3O3" ; chebi:inchi "InChI=1S/C25H33ClF3N3O3/c1-17(13-32(18(2)16-33)14-19-7-5-6-8-22(19)26)23(35-4)15-31(3)24(34)30-21-11-9-20(10-12-21)25(27,28)29/h5-12,17-18,23,33H,13-16H2,1-4H3,(H,30,34)/t17-,18+,23-/m1/s1" ; chebi:inchikey "NINYSMYJRLQSCV-IEGUWTFLSA-N" ; chebi:mass "515.997" ; chebi:monoisotopicmass "515.21625" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)C(F)(F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103052" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_103053 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C24H21F2N5O4" ; chebi:inchi "InChI=1S/C24H21F2N5O4/c25-14-6-13(7-15(26)8-14)9-29-23(34)21-16(12-32)19-11-30-18(2-1-3-20(30)33)22(21)31(19)24(35)17-10-27-4-5-28-17/h1-8,10,16,19,21-22,32H,9,11-12H2,(H,29,34)/t16-,19-,21+,22+/m1/s1" ; chebi:inchikey "KPHBLEYIQPKXAE-MWRLGJARSA-N" ; chebi:mass "481.452" ; chebi:monoisotopicmass "481.15616" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2C(=O)C3=NC=CN=C3)C4=CC=CC(=O)N41)C(=O)NCC5=CC(=CC(=C5)F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103053" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14399" . obo:CHEBI_103054 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H35N3O3" ; chebi:inchi "InChI=1S/C26H35N3O3/c30-16-21-20-15-28-22(11-10-19(25(28)31)18-6-2-3-7-18)23(20)29(14-17-8-9-17)24(21)26(32)27-12-4-1-5-13-27/h6,10-11,17,20-21,23-24,30H,1-5,7-9,12-16H2/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "JLGYBICAMNQLPS-ZQRMPTRQSA-N" ; chebi:mass "437.575" ; chebi:monoisotopicmass "437.26784" ; chebi:smiles "C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CCCC5)[C@@H]3N2CC6CC6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103054" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-2-[oxo(1-piperidinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_103055 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H37N3O4" ; chebi:inchi "InChI=1S/C30H37N3O4/c1-19-15-33(20(2)17-34)30(36)28-27(24-11-7-8-12-25(24)32(28)4)23-10-6-5-9-22(23)18-37-26(19)16-31(3)29(35)21-13-14-21/h5-12,19-21,26,34H,13-18H2,1-4H3/t19-,20-,26+/m0/s1" ; chebi:inchikey "YAQCSVWFCUIVLJ-CUVVAGTFSA-N" ; chebi:mass "503.634" ; chebi:monoisotopicmass "503.27841" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4CC4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103055" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14401" . obo:CHEBI_103056 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)13-25-12-16)9-20(24)22-8-7-14-3-1-2-4-15(14)11-22/h1-4,16-19,21,23H,5-13H2/t16-,17-,18-,19+/m1/s1" ; chebi:inchikey "MNYFKSZVIZZWBR-MKXGPGLRSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@H]1CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103056" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_103057 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C14H21N3O4S" ; chebi:inchi "InChI=1S/C14H21N3O4S/c18-9-6-16-11-2-1-10(21-12(11)8-20-7-9)5-13(19)17-14-15-3-4-22-14/h3-4,9-12,16,18H,1-2,5-8H2,(H,15,17,19)/t9-,10+,11-,12+/m1/s1" ; chebi:inchikey "LPUMVFGYOYFXDR-KXNHARMFSA-N" ; chebi:mass "327.401" ; chebi:monoisotopicmass "327.12528" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)NC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103057" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide" . obo:CHEBI_103058 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O5" ; chebi:inchi "InChI=1S/C26H31N3O5/c30-15-23-25-21(12-19(33-23)13-24(31)28-17-6-2-1-3-7-17)20-11-18(8-9-22(20)34-25)29-26(32)16-5-4-10-27-14-16/h4-5,8-11,14,17,19,21,23,25,30H,1-3,6-7,12-13,15H2,(H,28,31)(H,29,32)/t19-,21-,23+,25+/m0/s1" ; chebi:inchikey "CCIDSNZUNACLPU-FEGXGRLVSA-N" ; chebi:mass "465.542" ; chebi:monoisotopicmass "465.22637" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103058" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_103059 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H35N5O6" ; chebi:inchi "InChI=1S/C27H35N5O6/c1-16-21(14-31(2)30-16)29-25(33)13-19-5-6-22-24(38-19)15-37-23-7-4-18(12-20(23)27(35)32(22)3)28-26(34)17-8-10-36-11-9-17/h4,7,12,14,17,19,22,24H,5-6,8-11,13,15H2,1-3H3,(H,28,34)(H,29,33)/t19-,22-,24+/m1/s1" ; chebi:inchikey "KFDLRFOLOVMTJG-CKUXNOBLSA-N" ; chebi:mass "525.598" ; chebi:monoisotopicmass "525.25873" ; chebi:smiles "CC1=NN(C=C1NC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103059" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_10306 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16901 ; owl:deprecated true . obo:CHEBI_103060 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b257 rdf:type owl:Restriction . obo:CHEBI_103060 rdfs:subClassOf _:b257 . _:b257 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_103060 chebi:charge "0" ; chebi:formula "C21H23N3O3" ; chebi:inchi "InChI=1S/C21H23N3O3/c25-12-15-16-11-24-17(6-3-7-18(24)26)20(22-16)19(15)21(27)23-9-8-13-4-1-2-5-14(13)10-23/h1-7,15-16,19-20,22,25H,8-12H2/t15-,16-,19+,20+/m1/s1" ; chebi:inchikey "WCVQZBWBNHVCOB-YKCBXCCJSA-N" ; chebi:mass "365.426" ; chebi:monoisotopicmass "365.17394" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)[C@H]3[C@@H]([C@H]4CN5C(=O)C=CC=C5[C@@H]3N4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103060" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14406" . obo:CHEBI_103061 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33N3O5S" ; chebi:inchi "InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)27-14-8-7-13-26(27)25-12-6-4-11-24(25)20-38-28(21)18-32(3)39(36,37)29-15-9-5-10-23(29)16-31/h4-15,21-22,28,34H,17-20H2,1-3H3/t21-,22-,28-/m1/s1" ; chebi:inchikey "CWLJLYLZQZUHCH-DQCZWYHMSA-N" ; chebi:mass "547.667" ; chebi:monoisotopicmass "547.21409" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C#N)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103061" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14407" . obo:CHEBI_103062 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33ClN2O6S2" ; chebi:inchi "InChI=1S/C23H33ClN2O6S2/c1-17-9-11-21(12-10-17)33(28,29)25(4)15-23(32-5)18(2)14-26(19(3)16-27)34(30,31)22-8-6-7-20(24)13-22/h6-13,18-19,23,27H,14-16H2,1-5H3/t18-,19-,23-/m1/s1" ; chebi:inchikey "FYUSSFRUYFLLAK-DNVFCKCGSA-N" ; chebi:mass "533.104" ; chebi:monoisotopicmass "532.14686" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@H](C)CN([C@H](C)CO)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103062" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide" . obo:CHEBI_103063 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H33N3O6S" ; chebi:inchi "InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26-,28+/m0/s1" ; chebi:inchikey "IPBHQWGLWRAHKP-GYGTVUFYSA-N" ; chebi:mass "563.667" ; chebi:monoisotopicmass "563.20901" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103063" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_103064 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H30N4O5" ; chebi:inchi "InChI=1S/C22H30N4O5/c1-13-10-23-14(2)12-30-19-7-6-16(24-21(27)18-8-15(3)31-25-18)9-17(19)22(28)26(4)11-20(13)29-5/h6-9,13-14,20,23H,10-12H2,1-5H3,(H,24,27)/t13-,14-,20-/m1/s1" ; chebi:inchikey "JSRBXIHVEPNVJQ-ARGWCVDVSA-N" ; chebi:mass "430.498" ; chebi:monoisotopicmass "430.22162" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103064" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_103065 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-28-23(16-21(36-25)17-26(34)30-10-13-32-11-2-1-3-12-32)22-15-20(4-5-24(22)37-28)31-27(35)14-19-6-8-29-9-7-19/h4-9,15,21,23,25,28,33H,1-3,10-14,16-18H2,(H,30,34)(H,31,35)/t21-,23+,25+,28-/m1/s1" ; chebi:inchikey "FBZDSUDTYUQYGJ-IBFWWDTPSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103065" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_103066 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_59111 ; owl:deprecated true . obo:CHEBI_103067 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; rdfs:subClassOf obo:CHEBI_24373 ; rdfs:subClassOf obo:CHEBI_29347 ; rdfs:subClassOf obo:CHEBI_48208 . _:b258 rdf:type owl:Restriction . obo:CHEBI_103067 rdfs:subClassOf _:b258 . _:b258 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b259 rdf:type owl:Restriction . obo:CHEBI_103067 rdfs:subClassOf _:b259 . _:b259 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17713 . obo:CHEBI_103067 obo:IAO_0000115 "A nucleoside monophosphate analogue that is dAMP in which one of the exocyclic amino hydrogens is replaced by a carbamoylmethyl group." ; chebi:charge "0" ; chebi:formula "C12H17N6O7P" ; chebi:inchi "InChI=1S/C12H17N6O7P/c13-8(20)2-14-11-10-12(16-4-15-11)18(5-17-10)9-1-6(19)7(25-9)3-24-26(21,22)23/h4-7,9,19H,1-3H2,(H2,13,20)(H,14,15,16)(H2,21,22,23)/t6-,7+,9+/m0/s1" ; chebi:inchikey "QIZONDXKUQRKHI-LKEWCRSYSA-N" ; chebi:mass "388.274" ; chebi:monoisotopicmass "388.08963" ; chebi:smiles "N(C1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)C3)CC(=O)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103067" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N(6)-carbamoylmethyl-2'-deoxyadenosine 5'-monophosphate" . obo:CHEBI_103068 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H26N2O7S" ; chebi:inchi "InChI=1S/C23H26N2O7S/c1-14-5-3-4-6-21(14)33(29,30)24-15-7-10-19-17(11-15)23(28)25(2)18-9-8-16(12-22(26)27)32-20(18)13-31-19/h3-7,10-11,16,18,20,24H,8-9,12-13H2,1-2H3,(H,26,27)/t16-,18-,20+/m1/s1" ; chebi:inchikey "RXPZKEATMSRBBD-POAQFYNOSA-N" ; chebi:mass "474.529" ; chebi:monoisotopicmass "474.14607" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)O)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103068" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_103069 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C29H32ClN5O6" ; chebi:inchi "InChI=1S/C29H32ClN5O6/c1-16-27(17(2)41-34-16)33-29(38)32-20-8-11-24-22(12-20)28(37)35(3)23-10-9-21(40-25(23)15-39-24)13-26(36)31-14-18-4-6-19(30)7-5-18/h4-8,11-12,21,23,25H,9-10,13-15H2,1-3H3,(H,31,36)(H2,32,33,38)/t21-,23+,25-/m1/s1" ; chebi:inchikey "VDMGESCZGFUZFC-NMVJMZGASA-N" ; chebi:mass "582.048" ; chebi:monoisotopicmass "581.20411" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@@H](O4)CC(=O)NCC5=CC=C(C=C5)Cl)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103069" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_10307 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16565 ; owl:deprecated true . obo:CHEBI_103070 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H26F2N2O4" ; chebi:inchi "InChI=1S/C23H26F2N2O4/c1-27(2)15-4-6-20-17(8-15)18-9-16(30-21(12-28)23(18)31-20)10-22(29)26-11-13-7-14(24)3-5-19(13)25/h3-8,16,18,21,23,28H,9-12H2,1-2H3,(H,26,29)/t16-,18-,21+,23+/m1/s1" ; chebi:inchikey "PXUWSZVSXCWDJI-XKAWVMRWSA-N" ; chebi:mass "432.461" ; chebi:monoisotopicmass "432.18606" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103070" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_103071 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18+,19+,20-/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-XFWGSAIBSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103071" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_103072 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C29H35N3O3" ; chebi:inchi "InChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-24(25)20-35-28(21)18-31(3)17-23-12-14-30-15-13-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22-,28-/m1/s1" ; chebi:inchikey "KEOFNYFHDQHRAV-DQCZWYHMSA-N" ; chebi:mass "473.608" ; chebi:monoisotopicmass "473.26784" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103072" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14417" . obo:CHEBI_103073 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H27N3O7" ; chebi:inchi "InChI=1S/C28H27N3O7/c32-14-25-27-21(11-19(37-25)12-26(33)30-13-18-3-1-2-8-29-18)20-10-17(5-7-22(20)38-27)31-28(34)16-4-6-23-24(9-16)36-15-35-23/h1-10,19,21,25,27,32H,11-15H2,(H,30,33)(H,31,34)/t19-,21+,25+,27-/m0/s1" ; chebi:inchikey "FEEKZGTVSGSFLP-UTMJBXDJSA-N" ; chebi:mass "517.531" ; chebi:monoisotopicmass "517.18490" ; chebi:smiles "C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=CC=N6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103073" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_103074 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H35N3O4S" ; chebi:inchi "InChI=1S/C29H35N3O4S/c1-29(2,3)37(35)32-18-22-17-24(28(34)31(4)5)30-27(26(22)25(32)13-14-33)21-11-7-9-19(15-21)20-10-8-12-23(16-20)36-6/h7-12,15-17,25,33H,13-14,18H2,1-6H3/t25-,37-/m1/s1" ; chebi:inchikey "FLZDWOWASDTEHK-TWEZTRHFSA-N" ; chebi:mass "521.673" ; chebi:monoisotopicmass "521.23483" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103074" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_103075 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H32N2O5S2" ; chebi:inchi "InChI=1S/C27H32N2O5S2/c1-19-15-29(20(2)17-30)27(31)24-12-7-6-11-23(24)22-10-5-4-9-21(22)18-34-25(19)16-28(3)36(32,33)26-13-8-14-35-26/h4-14,19-20,25,30H,15-18H2,1-3H3/t19-,20-,25-/m0/s1" ; chebi:inchikey "YEGLVGBFCXLPBD-RLSLOFABSA-N" ; chebi:mass "528.687" ; chebi:monoisotopicmass "528.17526" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CS4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103075" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14420" . obo:CHEBI_103076 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C22H29N5O5S" ; chebi:inchi "InChI=1S/C22H29N5O5S/c1-25-14-21(23-16-25)33(30,31)24-19-8-7-18(32-20(19)15-28)13-22(29)27-11-9-26(10-12-27)17-5-3-2-4-6-17/h2-8,14,16,18-20,24,28H,9-13,15H2,1H3/t18-,19-,20+/m1/s1" ; chebi:inchikey "ADNYLXRIKBBTKJ-AQNXPRMDSA-N" ; chebi:mass "475.563" ; chebi:monoisotopicmass "475.18894" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)N3CCN(CC3)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103076" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103077 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H38N4O4S" ; chebi:inchi "InChI=1S/C31H38N4O4S/c1-31(2,3)40(39)35-19-24-18-25(30(38)34(6)7)32-28(27(24)26(35)15-16-36)23-10-8-9-22(17-23)20-11-13-21(14-12-20)29(37)33(4)5/h8-14,17-18,26,36H,15-16,19H2,1-7H3/t26-,40-/m0/s1" ; chebi:inchikey "WMNVIWBOXVWRSQ-YKPJRVAWSA-N" ; chebi:mass "562.725" ; chebi:monoisotopicmass "562.26138" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103077" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_103078 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-34-23-5-3-2-4-21(23)29-26(33)30-15-19(31)16-35-17-24-22(30)7-6-20(36-24)14-25(32)28-13-10-18-8-11-27-12-9-18/h2-5,8-9,11-12,19-20,22,24,31H,6-7,10,13-17H2,1H3,(H,28,32)(H,29,33)/t19-,20+,22-,24+/m1/s1" ; chebi:inchikey "YKBSBMDVZJDWJN-ADGBJGEGSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCCC4=CC=NC=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103078" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_103079 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H33N5O5" ; chebi:inchi "InChI=1S/C26H33N5O5/c32-20-16-31(26(34)22-15-27-8-9-28-22)23-7-6-21(36-24(23)18-35-17-20)14-25(33)30-12-10-29(11-13-30)19-4-2-1-3-5-19/h1-5,8-9,15,20-21,23-24,32H,6-7,10-14,16-18H2/t20-,21+,23-,24+/m0/s1" ; chebi:inchikey "LCHNJAZNAXXEPD-SGKWCMOWSA-N" ; chebi:mass "495.572" ; chebi:monoisotopicmass "495.24817" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=NC=CN=C3)O)O[C@H]1CC(=O)N4CCN(CC4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103079" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_103080 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c1-3-5-25(32)30-19-8-11-23-21(13-19)27(34)31(2)22-10-9-20(36-24(22)16-35-23)14-26(33)29-15-17-6-4-7-18(28)12-17/h4,6-8,11-13,20,22,24H,3,5,9-10,14-16H2,1-2H3,(H,29,33)(H,30,32)/t20-,22+,24+/m1/s1" ; chebi:inchikey "BYJFOJVMGKORHN-SFLYRZDNSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC(=CC=C4)F)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103080" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide" . obo:CHEBI_103081 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28F3N3O6" ; chebi:inchi "InChI=1S/C25H28F3N3O6/c1-35-9-8-29-22(33)12-17-11-19-18-10-16(6-7-20(18)37-23(19)21(13-32)36-17)31-24(34)30-15-4-2-14(3-5-15)25(26,27)28/h2-7,10,17,19,21,23,32H,8-9,11-13H2,1H3,(H,29,33)(H2,30,31,34)/t17-,19+,21+,23-/m0/s1" ; chebi:inchikey "JDHDHCLBKAEOSQ-GBPFJNKXSA-N" ; chebi:mass "523.502" ; chebi:monoisotopicmass "523.19302" ; chebi:smiles "COCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103081" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_103082 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c1-15-9-16(2)11-18(10-15)28-26(32)27-17-5-8-22-20(12-17)25(31)29(3)21-7-6-19(13-24(30)33-4)35-23(21)14-34-22/h5,8-12,19,21,23H,6-7,13-14H2,1-4H3,(H2,27,28,32)/t19-,21-,23+/m1/s1" ; chebi:inchikey "ANPNCKARMDTJMY-LSWJPFSZSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)OC)N(C3=O)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103082" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_103083 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H34N2O6" ; chebi:inchi "InChI=1S/C25H34N2O6/c28-15-22-24-20(13-18(32-22)14-23(29)27-8-2-1-3-9-27)19-12-17(4-5-21(19)33-24)26-25(30)16-6-10-31-11-7-16/h4-5,12,16,18,20,22,24,28H,1-3,6-11,13-15H2,(H,26,30)/t18-,20+,22-,24-/m1/s1" ; chebi:inchikey "SADUCKDCBXEUGG-USHXRURQSA-N" ; chebi:mass "458.548" ; chebi:monoisotopicmass "458.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103083" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_103084 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-17-14-26-18(2)16-32-22-11-10-20(27-24(29)12-19-8-6-5-7-9-19)13-21(22)25(30)28(3)15-23(17)31-4/h5-11,13,17-18,23,26H,12,14-16H2,1-4H3,(H,27,29)/t17-,18+,23-/m1/s1" ; chebi:inchikey "RIFMDYVXBSMSIP-IEGUWTFLSA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103084" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_103085 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30ClFN2O6S2" ; chebi:inchi "InChI=1S/C22H30ClFN2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-18(23)12-21)22(32-4)14-25(3)33(28,29)20-10-8-19(24)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22-/m1/s1" ; chebi:inchikey "KNLROJRONDBMAV-HYFFOGBASA-N" ; chebi:mass "537.068" ; chebi:monoisotopicmass "536.12178" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103085" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_103086 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H44N4O4" ; chebi:inchi "InChI=1S/C33H44N4O4/c1-22-18-37(23(2)20-38)32(39)31-30(27-16-10-11-17-28(27)36(31)4)26-15-9-8-12-24(26)21-41-29(22)19-35(3)33(40)34-25-13-6-5-7-14-25/h8-12,15-17,22-23,25,29,38H,5-7,13-14,18-21H2,1-4H3,(H,34,40)/t22-,23+,29+/m1/s1" ; chebi:inchikey "INXMEFHWZGRULI-AFKLWXAFSA-N" ; chebi:mass "560.728" ; chebi:monoisotopicmass "560.33626" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4CCCCC4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103086" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14431" . obo:CHEBI_103087 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H31FN2O7S" ; chebi:inchi "InChI=1S/C24H31FN2O7S/c1-16(12-27(17(2)14-28)35(30,31)20-8-6-19(25)7-9-20)23(32-4)13-26(3)24(29)18-5-10-21-22(11-18)34-15-33-21/h5-11,16-17,23,28H,12-15H2,1-4H3/t16-,17+,23-/m0/s1" ; chebi:inchikey "QPCRGZWITIZHEP-MFEFFIJZSA-N" ; chebi:mass "510.578" ; chebi:monoisotopicmass "510.18360" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103087" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_103088 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H36FN3O5" ; chebi:inchi "InChI=1S/C29H36FN3O5/c1-18-15-33(27(34)13-20-5-6-20)19(2)17-38-25-14-23(31-28(35)21-7-9-22(30)10-8-21)11-12-24(25)29(36)32(3)16-26(18)37-4/h7-12,14,18-20,26H,5-6,13,15-17H2,1-4H3,(H,31,35)/t18-,19+,26+/m1/s1" ; chebi:inchikey "QTFKJTMJQVNOKY-MVYHEMRASA-N" ; chebi:mass "525.613" ; chebi:monoisotopicmass "525.26390" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103088" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide" . obo:CHEBI_103089 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H33N3O4S2" ; chebi:inchi "InChI=1S/C21H33N3O4S2/c1-16-6-8-19(9-7-16)30(26,27)24(18(3)15-25)12-17(2)20(28-5)13-23(4)14-21-22-10-11-29-21/h6-11,17-18,20,25H,12-15H2,1-5H3/t17-,18+,20+/m1/s1" ; chebi:inchikey "APKXKRHWPGHKNH-HBFSDRIKSA-N" ; chebi:mass "455.637" ; chebi:monoisotopicmass "455.19125" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@H](CN(C)CC2=NC=CS2)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103089" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]-4-methylbenzenesulfonamide" . obo:CHEBI_10309 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_36528 ; owl:deprecated true . obo:CHEBI_103090 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C9H17NO4" ; chebi:inchi "InChI=1S/C9H17NO4/c1-13-9(12)4-6-2-3-7(10)8(5-11)14-6/h6-8,11H,2-5,10H2,1H3/t6-,7+,8-/m1/s1" ; chebi:inchikey "OCLDGUCQSRMFDC-GJMOJQLCSA-N" ; chebi:mass "203.236" ; chebi:monoisotopicmass "203.11576" ; chebi:smiles "COC(=O)C[C@H]1CC[C@@H]([C@H](O1)CO)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103090" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6S)-5-amino-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester" . obo:CHEBI_103091 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S" ; chebi:inchi "InChI=1S/C27H36N2O6S/c1-34-22-7-10-24(11-8-22)36(32,33)28-25-12-9-23(35-26(25)19-30)18-27(31)29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-8,10-11,21,23,25-26,28,30H,9,12-19H2,1H3/t23-,25+,26+/m1/s1" ; chebi:inchikey "JXWMWOXWMMUZLT-AFESJLNVSA-N" ; chebi:mass "516.652" ; chebi:monoisotopicmass "516.22941" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103091" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103092 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37N5O4" ; chebi:inchi "InChI=1S/C30H37N5O4/c1-21-18-35(15-12-23-8-6-5-7-9-23)22(2)20-39-27-16-24(33-29(36)26-17-31-13-14-32-26)10-11-25(27)30(37)34(3)19-28(21)38-4/h5-11,13-14,16-17,21-22,28H,12,15,18-20H2,1-4H3,(H,33,36)/t21-,22-,28-/m1/s1" ; chebi:inchikey "BQPYXUUVDOUQTE-DQCZWYHMSA-N" ; chebi:mass "531.647" ; chebi:monoisotopicmass "531.28455" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103092" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_103093 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-23(2)20(26)10-14-9-16-15-8-13(22-19(25)7-12-3-4-12)5-6-17(15)28-21(16)18(11-24)27-14/h5-6,8,12,14,16,18,21,24H,3-4,7,9-11H2,1-2H3,(H,22,25)/t14-,16-,18+,21+/m1/s1" ; chebi:inchikey "PPHZKQYZEIZDOF-GXLIZGDTSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103093" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_103094 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-16-12-30(13-19-6-7-19)17(2)15-34-23-9-8-20(27-25(31)22-10-18(3)35-28-22)11-21(23)26(32)29(4)14-24(16)33-5/h8-11,16-17,19,24H,6-7,12-15H2,1-5H3,(H,27,31)/t16-,17-,24+/m1/s1" ; chebi:inchikey "VFFXTZRIOLHXNX-OJLQRUNKSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103094" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_103095 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22-,29+/m1/s1" ; chebi:inchikey "GTRXSASKUSVSHJ-QLVXXPONSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103095" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14440" . obo:CHEBI_103096 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O4" ; chebi:inchi "InChI=1S/C27H36N4O4/c1-18-14-31(15-20-9-11-28-12-10-20)19(2)17-35-24-13-22(29-26(32)21-5-6-21)7-8-23(24)27(33)30(3)16-25(18)34-4/h7-13,18-19,21,25H,5-6,14-17H2,1-4H3,(H,29,32)/t18-,19-,25-/m0/s1" ; chebi:inchikey "RHXUULWZVSTJED-MHPIHPPYSA-N" ; chebi:mass "480.600" ; chebi:monoisotopicmass "480.27366" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103096" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_103097 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H29N3O5" ; chebi:inchi "InChI=1S/C20H29N3O5/c1-27-15-7-5-14(6-8-15)22-20(26)23-17-10-9-16(28-18(17)12-24)11-19(25)21-13-3-2-4-13/h5-8,13,16-18,24H,2-4,9-12H2,1H3,(H,21,25)(H2,22,23,26)/t16-,17-,18+/m1/s1" ; chebi:inchikey "OPNJNCHASNUPJL-KURKYZTESA-N" ; chebi:mass "391.462" ; chebi:monoisotopicmass "391.21072" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)NC3CCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103097" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-cyclobutyl-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_103098 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C26H28N4O3" ; chebi:inchi "InChI=1S/C26H28N4O3/c31-17-20-22-16-29-21(10-6-11-23(29)32)25(30(22)15-19-9-4-5-13-27-19)24(20)26(33)28-14-12-18-7-2-1-3-8-18/h1-11,13,20,22,24-25,31H,12,14-17H2,(H,28,33)/t20-,22-,24+,25+/m1/s1" ; chebi:inchikey "ZMVBPFYUTZNCSY-KAKDDGLXSA-N" ; chebi:mass "444.527" ; chebi:monoisotopicmass "444.21614" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2CC3=CC=CC=N3)C4=CC=CC(=O)N41)C(=O)NCCC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103098" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14443" . obo:CHEBI_103099 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H34ClN3O6S" ; chebi:inchi "InChI=1S/C22H34ClN3O6S/c1-25(2)11-3-10-24-22(28)12-18-6-9-20-21(32-18)15-31-14-17(27)13-26(20)33(29,30)19-7-4-16(23)5-8-19/h4-5,7-8,17-18,20-21,27H,3,6,9-15H2,1-2H3,(H,24,28)/t17-,18-,20+,21-/m0/s1" ; chebi:inchikey "NJKGITFUOGWCFU-MMKMLUHNSA-N" ; chebi:mass "504.042" ; chebi:monoisotopicmass "503.18568" ; chebi:smiles "CN(C)CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2S(=O)(=O)C3=CC=C(C=C3)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103099" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-(4-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide" . obo:CHEBI_1031 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16166 ; owl:deprecated true . obo:CHEBI_10310 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16361 ; owl:deprecated true . obo:CHEBI_103100 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-13(2)24-21(27)25-18(11-23)20(19(25)12-26)16-5-3-14(4-6-16)15-7-9-17(22)10-8-15/h3-10,13,18-20,26H,12H2,1-2H3,(H,24,27)/t18-,19-,20-/m0/s1" ; chebi:inchikey "GQNJFXBZXQABNJ-UFYCRDLUSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CC(C)NC(=O)N1[C@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103100" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide" . obo:CHEBI_103101 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C24H25N3O2" ; chebi:inchi "InChI=1S/C24H25N3O2/c25-15-21-24(20-8-6-19(7-9-20)18-4-2-1-3-5-18)22(16-28)27(21)23(29)14-17-10-12-26-13-11-17/h4,6-13,21-22,24,28H,1-3,5,14,16H2/t21-,22+,24-/m0/s1" ; chebi:inchikey "GMLMGXOKFZUTJK-ZDXQCDESSA-N" ; chebi:mass "387.475" ; chebi:monoisotopicmass "387.19468" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@H](N([C@H]3C#N)C(=O)CC4=CC=NC=C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103101" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile" . obo:CHEBI_103102 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O5" ; chebi:inchi "InChI=1S/C27H36N2O5/c1-18(2)34-27(32)28(5)15-25-19(3)14-29(20(4)16-30)26(31)24-13-9-8-12-23(24)22-11-7-6-10-21(22)17-33-25/h6-13,18-20,25,30H,14-17H2,1-5H3/t19-,20-,25-/m0/s1" ; chebi:inchikey "JTQSYHMCCHKQKK-RLSLOFABSA-N" ; chebi:mass "468.586" ; chebi:monoisotopicmass "468.26242" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OC(C)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103102" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14447" . obo:CHEBI_103103 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C29H30N4O4" ; chebi:inchi "InChI=1S/C29H30N4O4/c1-2-14-31-27(35)25-22(18-34)24-17-32-23(26(25)33(24)29(37)21-12-15-30-16-13-21)11-10-20(28(32)36)9-8-19-6-4-3-5-7-19/h3-13,15-16,22,24-26,34H,2,14,17-18H2,1H3,(H,31,35)/t22-,24-,25+,26+/m0/s1" ; chebi:inchikey "QXUUMNXHRNLNCE-ADXHGGABSA-N" ; chebi:mass "498.574" ; chebi:monoisotopicmass "498.22671" ; chebi:smiles "CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]1N2C(=O)C5=CC=NC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103103" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14448" . obo:CHEBI_103104 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-19-6-4-7-21(12-19)39(34,35)31-18-9-10-25-22(11-18)23-13-20(37-26(16-32)28(23)38-25)14-27(33)30-15-17-5-2-3-8-24(17)29/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23+,26+,28-/m0/s1" ; chebi:inchikey "UQAGOAYYXRCKNS-NZIYMESCSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103104" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_103105 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c31-23-17-30(16-20-2-1-3-22(14-20)21-6-8-28-9-7-21)25-5-4-24(35-26(25)19-34-18-23)15-27(32)29-10-12-33-13-11-29/h1-3,6-9,14,23-26,31H,4-5,10-13,15-19H2/t23-,24-,25-,26+/m1/s1" ; chebi:inchikey "VMOCTUISBGPURH-POTDNYQPSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC=CC(=C3)C4=CC=NC=C4)O)O[C@H]1CC(=O)N5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103105" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone" . obo:CHEBI_103106 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O7" ; chebi:inchi "InChI=1S/C28H37N3O7/c1-18-14-31(26(32)17-35-4)19(2)16-38-24-13-21(29-27(33)20-7-10-22(36-5)11-8-20)9-12-23(24)28(34)30(3)15-25(18)37-6/h7-13,18-19,25H,14-17H2,1-6H3,(H,29,33)/t18-,19-,25+/m1/s1" ; chebi:inchikey "YQOYUVQVCGNRJC-RRQZXNHTSA-N" ; chebi:mass "527.610" ; chebi:monoisotopicmass "527.26315" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103106" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-methoxy-N-[(5R,6R,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_103107 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C31H40N4O7" ; chebi:inchi "InChI=1S/C31H40N4O7/c1-34-26-9-8-24(19-29(36)32-11-4-12-35-13-15-40-16-14-35)42-28(26)20-41-27-10-7-22(18-25(27)31(34)38)33-30(37)21-5-3-6-23(17-21)39-2/h3,5-7,10,17-18,24,26,28H,4,8-9,11-16,19-20H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,28+/m1/s1" ; chebi:inchikey "ADKYEMYUARXISC-INOCPDNRSA-N" ; chebi:mass "580.673" ; chebi:monoisotopicmass "580.28970" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103107" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide" . obo:CHEBI_103108 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H38N4O6" ; chebi:inchi "InChI=1S/C34H38N4O6/c1-21-16-38(22(2)18-39)33(40)32-31(26-11-7-8-12-27(26)37(32)4)25-10-6-5-9-23(25)19-42-30(21)17-36(3)34(41)35-24-13-14-28-29(15-24)44-20-43-28/h5-15,21-22,30,39H,16-20H2,1-4H3,(H,35,41)/t21-,22-,30+/m1/s1" ; chebi:inchikey "KFLLAZWDLYDTFJ-WOGZVKCMSA-N" ; chebi:mass "598.690" ; chebi:monoisotopicmass "598.27913" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103108" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14453" . obo:CHEBI_103109 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C15H24F3NO5" ; chebi:inchi "InChI=1S/C15H24F3NO5/c1-22-14(21)6-11-2-3-12-13(24-11)9-23-8-10(20)7-19(12)5-4-15(16,17)18/h10-13,20H,2-9H2,1H3/t10-,11-,12+,13-/m0/s1" ; chebi:inchikey "NGKDTDLAKVOKMV-RVMXOQNASA-N" ; chebi:mass "355.351" ; chebi:monoisotopicmass "355.16066" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2CCC(F)(F)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103109" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_10311 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C25H41N2O19R" ; chebi:mass "673.596" ; chebi:monoisotopicmass "673.23035" ; chebi:smiles "CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[*]" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10311" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein" . obo:CHEBI_103110 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-35-20-10-7-18(8-11-20)30-28(34)31-19-9-12-24-22(13-19)23-14-21(36-25(16-32)27(23)37-24)15-26(33)29-17-5-3-2-4-6-17/h7-13,17,21,23,25,27,32H,2-6,14-16H2,1H3,(H,29,33)(H2,30,31,34)/t21-,23-,25-,27+/m0/s1" ; chebi:inchikey "ATPIYVGDEBDNGC-NTYBTQPHSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103110" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_103111 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C21H25F2N3O4S" ; chebi:inchi "InChI=1S/C21H25F2N3O4S/c22-14-5-13(6-15(23)7-14)9-26-10-16(27)11-29-12-19-18(26)2-1-17(30-19)8-20(28)25-21-24-3-4-31-21/h3-7,16-19,27H,1-2,8-12H2,(H,24,25,28)/t16-,17-,18-,19+/m1/s1" ; chebi:inchikey "HLMLEGKKEQKEEG-MKXGPGLRSA-N" ; chebi:mass "453.505" ; chebi:monoisotopicmass "453.15338" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC(=CC(=C3)F)F)O)O[C@H]1CC(=O)NC4=NC=CS4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103111" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide" . obo:CHEBI_103112 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O4" ; chebi:inchi "InChI=1S/C28H40N4O4/c1-19(2)29-28(34)30-23-12-13-25-24(14-23)27(33)31(5)17-26(35-6)20(3)15-32(21(4)18-36-25)16-22-10-8-7-9-11-22/h7-14,19-21,26H,15-18H2,1-6H3,(H2,29,30,34)/t20-,21+,26+/m1/s1" ; chebi:inchikey "XLOJZIOISXYGBL-SWYRRKHMSA-N" ; chebi:mass "496.643" ; chebi:monoisotopicmass "496.30496" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103112" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_103113 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27Cl2N3O5" ; chebi:inchi "InChI=1S/C23H27Cl2N3O5/c1-32-20-5-3-2-4-18(20)27-23(31)28-19-9-7-15(33-21(19)13-29)11-22(30)26-12-14-6-8-16(24)17(25)10-14/h2-6,8,10,15,19,21,29H,7,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,19+,21+/m0/s1" ; chebi:inchikey "XCDRDXJNPKYISK-NYSBEXSLSA-N" ; chebi:mass "496.384" ; chebi:monoisotopicmass "495.13278" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103113" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_103114 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H33ClN4O5" ; chebi:inchi "InChI=1S/C31H33ClN4O5/c1-19-6-5-8-21(14-19)34-31(39)35-22-10-13-27-24(15-22)30(38)36(2)26-12-11-23(41-28(26)18-40-27)16-29(37)33-17-20-7-3-4-9-25(20)32/h3-10,13-15,23,26,28H,11-12,16-18H2,1-2H3,(H,33,37)(H2,34,35,39)/t23-,26-,28-/m1/s1" ; chebi:inchikey "SECMWWJMRQEFAV-KODFZCBSSA-N" ; chebi:mass "577.072" ; chebi:monoisotopicmass "576.21395" ; chebi:smiles "CC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@@H](O4)CC(=O)NCC5=CC=CC=C5Cl)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103114" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-8-[[(3-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_103115 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O7" ; chebi:inchi "InChI=1S/C23H34N4O7/c28-14-21-18(26-23(30)25-16-2-5-19-20(12-16)33-15-32-19)4-3-17(34-21)13-22(29)24-6-1-7-27-8-10-31-11-9-27/h2,5,12,17-18,21,28H,1,3-4,6-11,13-15H2,(H,24,29)(H2,25,26,30)/t17-,18+,21+/m1/s1" ; chebi:inchikey "WGFFUWNETOGMCB-LQWHRVPQSA-N" ; chebi:mass "478.540" ; chebi:monoisotopicmass "478.24275" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103115" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_103116 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C30H35N3O8" ; chebi:inchi "InChI=1S/C30H35N3O8/c1-33-23-5-4-21(14-28(34)31-15-18-2-6-25-26(12-18)40-17-39-25)41-27(23)16-38-24-7-3-20(13-22(24)30(33)36)32-29(35)19-8-10-37-11-9-19/h2-3,6-7,12-13,19,21,23,27H,4-5,8-11,14-17H2,1H3,(H,31,34)(H,32,35)/t21-,23+,27+/m1/s1" ; chebi:inchikey "JZWHDUCFLDKMHA-ZYVVXELTSA-N" ; chebi:mass "565.615" ; chebi:monoisotopicmass "565.24242" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103116" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_103117 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H28N4O5" ; chebi:inchi "InChI=1S/C21H28N4O5/c1-13-10-22-14(2)12-29-18-9-15(24-20(26)17-7-8-23-30-17)5-6-16(18)21(27)25(3)11-19(13)28-4/h5-9,13-14,19,22H,10-12H2,1-4H3,(H,24,26)/t13-,14-,19-/m0/s1" ; chebi:inchikey "UYCGUZMTEQILNL-NJSLBKSFSA-N" ; chebi:mass "416.472" ; chebi:monoisotopicmass "416.20597" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=NO3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103117" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide" . obo:CHEBI_103118 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22+,27-,28+/m0/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-ICLSSZMYSA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H]4CCCN4C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103118" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14463" . obo:CHEBI_103119 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O6S" ; chebi:inchi "InChI=1S/C22H32N4O6S/c1-13-10-23-14(2)12-31-19-8-7-17(9-18(19)22(27)26(5)11-20(13)30-6)25-33(28,29)21-15(3)24-32-16(21)4/h7-9,13-14,20,23,25H,10-12H2,1-6H3/t13-,14+,20-/m0/s1" ; chebi:inchikey "LINNEEFEDHMFDS-MNVSYLFESA-N" ; chebi:mass "480.580" ; chebi:monoisotopicmass "480.20426" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103119" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3,5-dimethyl-4-isoxazolesulfonamide" . obo:CHEBI_10312 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17725 ; owl:deprecated true . obo:CHEBI_103120 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H29FN2O6S" ; chebi:inchi "InChI=1S/C29H29FN2O6S/c30-20-5-8-23(9-6-20)39(35,36)31-21-7-10-26-24(13-21)25-14-22(37-27(17-33)29(25)38-26)15-28(34)32-12-11-18-3-1-2-4-19(18)16-32/h1-10,13,22,25,27,29,31,33H,11-12,14-17H2/t22-,25+,27+,29-/m0/s1" ; chebi:inchikey "RHYJRBPAXZYDBS-VWGZZBOQSA-N" ; chebi:mass "552.616" ; chebi:monoisotopicmass "552.17304" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NS(=O)(=O)C6=CC=C(C=C6)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103120" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-fluorobenzenesulfonamide" . obo:CHEBI_103121 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H30N2O5" ; chebi:inchi "InChI=1S/C23H30N2O5/c26-12-20-23-18(9-16(29-20)10-21(27)24-11-14-3-4-14)17-8-15(5-6-19(17)30-23)25-22(28)7-13-1-2-13/h5-6,8,13-14,16,18,20,23,26H,1-4,7,9-12H2,(H,24,27)(H,25,28)/t16-,18-,20+,23+/m0/s1" ; chebi:inchikey "WARQVQDGSWZACN-VSCJKUSUSA-N" ; chebi:mass "414.496" ; chebi:monoisotopicmass "414.21547" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103121" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_103122 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H41N3O5" ; chebi:inchi "InChI=1S/C35H41N3O5/c1-23-19-38(24(2)21-39)34(40)32-31(28-17-11-12-18-29(28)37(32)4)27-16-10-9-15-26(27)22-43-30(23)20-36(3)35(41)33(42-5)25-13-7-6-8-14-25/h6-18,23-24,30,33,39H,19-22H2,1-5H3/t23-,24+,30+,33+/m0/s1" ; chebi:inchikey "ZXKFKEACMTVYCV-OXGZXGIMSA-N" ; chebi:mass "583.718" ; chebi:monoisotopicmass "583.30462" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103122" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14467" . obo:CHEBI_103123 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C25H34N2O5" ; chebi:inchi "InChI=1S/C25H34N2O5/c1-18(13-27(19(2)16-28)25(29)21-8-6-5-7-9-21)24(30-4)15-26(3)14-20-10-11-22-23(12-20)32-17-31-22/h5-12,18-19,24,28H,13-17H2,1-4H3/t18-,19+,24+/m1/s1" ; chebi:inchikey "RDQYWFNTQPCNSM-IMWIBFENSA-N" ; chebi:mass "442.549" ; chebi:monoisotopicmass "442.24677" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)C1=CC=CC=C1)[C@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103123" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide" . obo:CHEBI_103124 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H31N3O6" ; chebi:inchi "InChI=1S/C21H31N3O6/c1-24(2)11-20(27)23-13-4-5-17-15(8-13)16-9-14(10-19(26)22-6-7-28-3)29-18(12-25)21(16)30-17/h4-5,8,14,16,18,21,25H,6-7,9-12H2,1-3H3,(H,22,26)(H,23,27)/t14-,16-,18+,21+/m1/s1" ; chebi:inchikey "ZSBYESKXZOGBOW-GXLIZGDTSA-N" ; chebi:mass "421.488" ; chebi:monoisotopicmass "421.22129" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103124" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_103125 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H38N4O5S" ; chebi:inchi "InChI=1S/C27H38N4O5S/c1-18-14-31(16-25-28-9-12-37-25)19(2)17-36-23-13-21(29-26(32)20-7-10-35-11-8-20)5-6-22(23)27(33)30(3)15-24(18)34-4/h5-6,9,12-13,18-20,24H,7-8,10-11,14-17H2,1-4H3,(H,29,32)/t18-,19+,24-/m1/s1" ; chebi:inchikey "FGARXSMYVPQAMN-YDIMBITNSA-N" ; chebi:mass "530.682" ; chebi:monoisotopicmass "530.25629" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4=NC=CS4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103125" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_103126 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39447 ; chebi:charge "0" ; chebi:formula "C23H20N4O2" ; chebi:inchi "InChI=1S/C23H20N4O2/c24-11-20-23(18-8-6-17(7-9-18)19-12-25-15-26-13-19)21(14-28)27(20)22(29)10-16-4-2-1-3-5-16/h1-9,12-13,15,20-21,23,28H,10,14H2/t20-,21+,23-/m1/s1" ; chebi:inchikey "OPKRCVVELWLOIA-FUPPJEDESA-N" ; chebi:mass "384.431" ; chebi:monoisotopicmass "384.15863" ; chebi:smiles "C1=CC=C(C=C1)CC(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CN=CN=C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103126" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-4-(hydroxymethyl)-1-(1-oxo-2-phenylethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_103127 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H32N2O8" ; chebi:inchi "InChI=1S/C28H32N2O8/c31-14-25-27-21(20-10-18(2-4-22(20)38-27)30-28(33)17-5-7-34-8-6-17)11-19(37-25)12-26(32)29-13-16-1-3-23-24(9-16)36-15-35-23/h1-4,9-10,17,19,21,25,27,31H,5-8,11-15H2,(H,29,32)(H,30,33)/t19-,21-,25+,27+/m0/s1" ; chebi:inchikey "MOISLORHFJLABX-ZTUCRWOVSA-N" ; chebi:mass "524.563" ; chebi:monoisotopicmass "524.21587" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103127" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_103128 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H29N3O6S" ; chebi:inchi "InChI=1S/C20H29N3O6S/c1-22-5-7-23(8-6-22)19(25)11-14-10-16-15-9-13(21-30(2,26)27)3-4-17(15)29-20(16)18(12-24)28-14/h3-4,9,14,16,18,20-21,24H,5-8,10-12H2,1-2H3/t14-,16-,18+,20+/m1/s1" ; chebi:inchikey "LHGLZDQGJZRLBC-BIJSTVTOSA-N" ; chebi:mass "439.528" ; chebi:monoisotopicmass "439.17771" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103128" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide" . obo:CHEBI_103129 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C32H32ClN3O5" ; chebi:inchi "InChI=1S/C32H32ClN3O5/c1-36-27-13-12-23(17-30(37)34-21-10-9-19-5-4-6-20(19)15-21)41-29(27)18-40-28-14-11-22(16-25(28)32(36)39)35-31(38)24-7-2-3-8-26(24)33/h2-3,7-11,14-16,23,27,29H,4-6,12-13,17-18H2,1H3,(H,34,37)(H,35,38)/t23-,27+,29-/m1/s1" ; chebi:inchikey "OTEDYSPKROHHLA-FNHKZSGOSA-N" ; chebi:mass "574.068" ; chebi:monoisotopicmass "573.20305" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl)CC(=O)NC5=CC6=C(CCC6)C=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103129" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide" . obo:CHEBI_10313 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15679 ; owl:deprecated true . obo:CHEBI_103130 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H38N4O6" ; chebi:inchi "InChI=1S/C27H38N4O6/c1-29-9-11-31(12-10-29)25(32)16-20-4-5-22-24(37-20)17-36-23-6-3-19(15-21(23)27(34)30(22)2)28-26(33)18-7-13-35-14-8-18/h3,6,15,18,20,22,24H,4-5,7-14,16-17H2,1-2H3,(H,28,33)/t20-,22-,24-/m0/s1" ; chebi:inchikey "HKYXYLDUIXPRSO-SSPYTLHUSA-N" ; chebi:mass "514.615" ; chebi:monoisotopicmass "514.27913" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103130" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_103131 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H34FN3O3S" ; chebi:inchi "InChI=1S/C30H34FN3O3S/c1-30(2,3)38(37)34-18-21-17-25(29(36)32-22-10-7-11-22)33-28(27(21)26(34)14-15-35)20-9-6-8-19(16-20)23-12-4-5-13-24(23)31/h4-6,8-9,12-13,16-17,22,26,35H,7,10-11,14-15,18H2,1-3H3,(H,32,36)/t26-,38-/m1/s1" ; chebi:inchikey "PZROTEJUFYWVHW-UOBPVEMNSA-N" ; chebi:mass "535.675" ; chebi:monoisotopicmass "535.23049" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4F)C(=O)NC5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103131" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_103132 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c1-22(2)13-5-6-17-15(7-13)16-8-14(25-18(11-23)20(16)26-17)9-19(24)21-10-12-3-4-12/h5-7,12,14,16,18,20,23H,3-4,8-11H2,1-2H3,(H,21,24)/t14-,16+,18-,20-/m0/s1" ; chebi:inchikey "JLJMCVQNTFDIRA-HUOQQOJOSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103132" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_103133 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O5S" ; chebi:inchi "InChI=1S/C25H35N3O5S/c1-17-9-7-8-10-24(17)34(30,31)26-20-11-12-21-22(13-20)33-16-19(3)27(4)14-18(2)23(32-6)15-28(5)25(21)29/h7-13,18-19,23,26H,14-16H2,1-6H3/t18-,19+,23-/m0/s1" ; chebi:inchikey "VMCYUUKPCWGJCJ-YYDVJCTNSA-N" ; chebi:mass "489.630" ; chebi:monoisotopicmass "489.22974" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103133" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide" . obo:CHEBI_103134 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20+,21+,22-/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-DOYHNPMNSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103134" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14479" . obo:CHEBI_103135 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O5S" ; chebi:inchi "InChI=1S/C25H36N4O5S/c1-6-35(31,32)27-20-10-11-23-22(13-20)25(30)28(4)16-24(33-5)18(2)14-29(19(3)17-34-23)15-21-9-7-8-12-26-21/h7-13,18-19,24,27H,6,14-17H2,1-5H3/t18-,19-,24-/m1/s1" ; chebi:inchikey "NFKQXDUJHPCZLU-KHCICDEESA-N" ; chebi:mass "504.644" ; chebi:monoisotopicmass "504.24064" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103135" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_103136 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C20H27FN4O4" ; chebi:inchi "InChI=1S/C20H27FN4O4/c1-24-8-10-25(11-9-24)19(27)12-14-6-7-17(18(13-26)29-14)23-20(28)22-16-5-3-2-4-15(16)21/h2-7,14,17-18,26H,8-13H2,1H3,(H2,22,23,28)/t14-,17+,18+/m1/s1" ; chebi:inchikey "ZHYLMLAAZLDJNG-JLSDUUJJSA-N" ; chebi:mass "406.452" ; chebi:monoisotopicmass "406.20163" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103136" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-fluorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea" . obo:CHEBI_103137 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O5" ; chebi:inchi "InChI=1S/C27H36FN3O5/c1-18-13-31(14-20-7-6-8-21(28)11-20)19(2)16-36-24-12-22(29-26(32)17-34-4)9-10-23(24)27(33)30(3)15-25(18)35-5/h6-12,18-19,25H,13-17H2,1-5H3,(H,29,32)/t18-,19-,25+/m1/s1" ; chebi:inchikey "KGYIFIZLZVXLPC-RRQZXNHTSA-N" ; chebi:mass "501.591" ; chebi:monoisotopicmass "501.26390" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103137" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_103138 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H33N3O5S" ; chebi:inchi "InChI=1S/C22H33N3O5S/c1-17-5-8-19(9-6-17)31(28,29)24-20-10-7-18(30-21(20)16-26)15-22(27)23-11-14-25-12-3-2-4-13-25/h5-10,18,20-21,24,26H,2-4,11-16H2,1H3,(H,23,27)/t18-,20+,21-/m0/s1" ; chebi:inchikey "VUOOERVJSWLFKU-TYPHKJRUSA-N" ; chebi:mass "451.581" ; chebi:monoisotopicmass "451.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCN3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103138" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_103139 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H31N5O3" ; chebi:inchi "InChI=1S/C28H31N5O3/c1-2-14-32-25-22(23(17-34)26(32)27(35)30-15-21-12-13-29-18-31-21)16-33-24(25)11-10-20(28(33)36)9-8-19-6-4-3-5-7-19/h3-13,18,22-23,25-26,34H,2,14-17H2,1H3,(H,30,35)/t22-,23-,25+,26-/m1/s1" ; chebi:inchikey "HXYTZOMMTUQQOD-VHCQPULKSA-N" ; chebi:mass "485.578" ; chebi:monoisotopicmass "485.24269" ; chebi:smiles "CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]([C@@H]1C(=O)NCC5=NC=NC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103139" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14484" . obo:CHEBI_10314 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17483 ; owl:deprecated true . obo:CHEBI_103140 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H37N3O4S" ; chebi:inchi "InChI=1S/C27H37N3O4S/c31-22-16-30(17-26-28-10-13-35-26)24-7-6-23(34-25(24)19-33-18-22)15-27(32)29-11-8-21(9-12-29)14-20-4-2-1-3-5-20/h1-5,10,13,21-25,31H,6-9,11-12,14-19H2/t22-,23-,24-,25+/m1/s1" ; chebi:inchikey "XKLJDQDBSRSGED-VPBXCIAMSA-N" ; chebi:mass "499.667" ; chebi:monoisotopicmass "499.25048" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103140" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone" . obo:CHEBI_103141 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C28H38N2O5" ; chebi:inchi "InChI=1S/C28H38N2O5/c1-19(2)17-35-28(33)29(5)15-26-20(3)14-30(21(4)16-31)27(32)25-13-9-8-12-24(25)23-11-7-6-10-22(23)18-34-26/h6-13,19-21,26,31H,14-18H2,1-5H3/t20-,21+,26+/m1/s1" ; chebi:inchikey "BBROUNWBLSFMDY-SWYRRKHMSA-N" ; chebi:mass "482.613" ; chebi:monoisotopicmass "482.27807" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OCC(C)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103141" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14486" . obo:CHEBI_103142 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33FN2O5S" ; chebi:inchi "InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-37-27(20)17-31(3)38(35,36)28-15-9-8-14-26(28)30/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21-,27+/m1/s1" ; chebi:inchikey "QWRJLEHIBFFHOL-GNMOFYLKSA-N" ; chebi:mass "540.648" ; chebi:monoisotopicmass "540.20942" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103142" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14487" . obo:CHEBI_103143 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18+,20+,22-,25-/m0/s1" ; chebi:inchikey "ALLGXHRZPBERLG-OOKMIWCSSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103143" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_103144 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30N4O5S" ; chebi:inchi "InChI=1S/C21H30N4O5S/c1-16(20(30-4)14-24(3)21(27)19-12-22-10-11-23-19)13-25(17(2)15-26)31(28,29)18-8-6-5-7-9-18/h5-12,16-17,20,26H,13-15H2,1-4H3/t16-,17-,20-/m1/s1" ; chebi:inchikey "RULZJLKRRRCHIA-MBOZVWFJSA-N" ; chebi:mass "450.554" ; chebi:monoisotopicmass "450.19369" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103144" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_103145 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H33N5O6S" ; chebi:inchi "InChI=1S/C23H33N5O6S/c1-15-10-28(35(31,32)22-12-26(4)14-24-22)16(2)13-34-20-8-7-18(25-17(3)29)9-19(20)23(30)27(5)11-21(15)33-6/h7-9,12,14-16,21H,10-11,13H2,1-6H3,(H,25,29)/t15-,16-,21-/m0/s1" ; chebi:inchikey "QWCMRWQEQWRTJY-QYWGDWMGSA-N" ; chebi:mass "507.605" ; chebi:monoisotopicmass "507.21515" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C3=CN(C=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103145" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-5-[(1-methyl-4-imidazolyl)sulfonyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_103146 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O4S" ; chebi:inchi "InChI=1S/C25H36N4O4S/c1-6-7-23(30)27-19-8-9-21-20(12-19)25(31)28(4)14-22(32-5)17(2)13-29(18(3)16-33-21)15-24-26-10-11-34-24/h8-12,17-18,22H,6-7,13-16H2,1-5H3,(H,27,30)/t17-,18-,22-/m0/s1" ; chebi:inchikey "LLNFNSHBDLACGS-SPEDKVCISA-N" ; chebi:mass "488.645" ; chebi:monoisotopicmass "488.24573" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103146" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_103147 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26FN3O5S" ; chebi:inchi "InChI=1S/C19H26FN3O5S/c1-22-7-9-23(10-8-22)19(25)12-15-5-6-17(18(13-24)28-15)21-29(26,27)16-4-2-3-14(20)11-16/h2-6,11,15,17-18,21,24H,7-10,12-13H2,1H3/t15-,17-,18+/m0/s1" ; chebi:inchikey "BAJOMULNWMTCGT-RYQLBKOJSA-N" ; chebi:mass "427.492" ; chebi:monoisotopicmass "427.15772" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103147" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]benzenesulfonamide" . obo:CHEBI_103148 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H28N4O4" ; chebi:inchi "InChI=1S/C22H28N4O4/c27-15-20-19(26-22(29)13-17-3-1-2-9-24-17)5-4-18(30-20)14-21(28)25-12-8-16-6-10-23-11-7-16/h1-3,6-7,9-11,18-20,27H,4-5,8,12-15H2,(H,25,28)(H,26,29)/t18-,19+,20+/m1/s1" ; chebi:inchikey "GUCCOCGWZUYAMY-AABGKKOBSA-N" ; chebi:mass "412.483" ; chebi:monoisotopicmass "412.21106" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103148" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_103149 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O6" ; chebi:inchi "InChI=1S/C20H28N2O6/c1-3-6-21-18(24)9-13-8-15-14-7-12(22-19(25)11-26-2)4-5-16(14)28-20(15)17(10-23)27-13/h4-5,7,13,15,17,20,23H,3,6,8-11H2,1-2H3,(H,21,24)(H,22,25)/t13-,15+,17-,20-/m1/s1" ; chebi:inchikey "ZWJVDCAUIXXXGX-YBLQJDFOSA-N" ; chebi:mass "392.447" ; chebi:monoisotopicmass "392.19474" ; chebi:smiles "CCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103149" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_10315 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16401 ; owl:deprecated true . obo:CHEBI_103150 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29ClN2O7S" ; chebi:inchi "InChI=1S/C28H29ClN2O7S/c1-36-20-3-2-4-22(12-20)39(34,35)31-19-9-10-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-5-7-18(29)8-6-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24-,26-,28+/m1/s1" ; chebi:inchikey "XHFXJTPXFPIUNX-XILASOBOSA-N" ; chebi:mass "573.059" ; chebi:monoisotopicmass "572.13840" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103150" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_103151 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21+,22+,23+/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-JWRSUQAPSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103151" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14496" . obo:CHEBI_103152 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c1-17(18-5-3-2-4-6-18)31-28(34)14-21-13-23-22-12-20(8-10-24(22)39-29(23)27(15-33)38-21)32-30(35)19-7-9-25-26(11-19)37-16-36-25/h2-12,17,21,23,27,29,33H,13-16H2,1H3,(H,31,34)(H,32,35)/t17-,21-,23+,27-,29-/m1/s1" ; chebi:inchikey "PKVMSJKEIKOOIO-QCDCGYHRSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103152" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_103153 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H30FN3O4" ; chebi:inchi "InChI=1S/C21H30FN3O4/c22-16-5-3-4-15(12-16)21(28)24-18-7-6-17(29-19(18)14-26)13-20(27)23-8-11-25-9-1-2-10-25/h3-5,12,17-19,26H,1-2,6-11,13-14H2,(H,23,27)(H,24,28)/t17-,18+,19+/m1/s1" ; chebi:inchikey "DCVAKYLGJMAIQD-QYZOEREBSA-N" ; chebi:mass "407.480" ; chebi:monoisotopicmass "407.22203" ; chebi:smiles "C1CCN(C1)CCNC(=O)C[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103153" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-pyrrolidinyl)ethylamino]ethyl]-3-oxanyl]benzamide" . obo:CHEBI_103154 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C21H21F2N3O4" ; chebi:inchi "InChI=1S/C21H21F2N3O4/c22-14-7-13(8-15(23)9-14)11-25-20(28)10-16-4-5-17(19(12-27)30-16)26-21(29)18-3-1-2-6-24-18/h1-9,16-17,19,27H,10-12H2,(H,25,28)(H,26,29)/t16-,17+,19+/m1/s1" ; chebi:inchikey "UVJMALWFIRFJAR-AOIWGVFYSA-N" ; chebi:mass "417.407" ; chebi:monoisotopicmass "417.15001" ; chebi:smiles "C1=CC=NC(=C1)C(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=CC(=C3)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103154" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide" . obo:CHEBI_103155 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H32F3N3O3" ; chebi:inchi "InChI=1S/C24H32F3N3O3/c1-16(23(33-4)14-29(3)13-18-11-20(26)7-10-22(18)27)12-30(17(2)15-31)24(32)28-21-8-5-19(25)6-9-21/h5-11,16-17,23,31H,12-15H2,1-4H3,(H,28,32)/t16-,17+,23+/m1/s1" ; chebi:inchikey "FEKMHVLVYAIVTJ-DGGJZMOXSA-N" ; chebi:mass "467.525" ; chebi:monoisotopicmass "467.23958" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103155" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_103156 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27FN4O6S" ; chebi:inchi "InChI=1S/C22H27FN4O6S/c23-15-2-1-3-19(8-15)34(30,31)27-11-17(28)12-32-13-21-20(27)5-4-18(33-21)9-22(29)25-10-16-6-7-24-14-26-16/h1-3,6-8,14,17-18,20-21,28H,4-5,9-13H2,(H,25,29)/t17-,18-,20-,21+/m0/s1" ; chebi:inchikey "FPMJOPUHYZGMQU-JYAXBFRTSA-N" ; chebi:mass "494.538" ; chebi:monoisotopicmass "494.16353" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2S(=O)(=O)C3=CC=CC(=C3)F)O)O[C@@H]1CC(=O)NCC4=NC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103156" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide" . obo:CHEBI_103157 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H39N3O6" ; chebi:inchi "InChI=1S/C30H39N3O6/c1-20-17-33(29(35)23-8-6-5-7-9-23)21(2)19-39-26-16-24(31-28(34)22-12-14-38-15-13-22)10-11-25(26)30(36)32(3)18-27(20)37-4/h5-11,16,20-22,27H,12-15,17-19H2,1-4H3,(H,31,34)/t20-,21-,27-/m1/s1" ; chebi:inchikey "ZEGIYGLHXRHVDM-LGVUCKNBSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.28389" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103157" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_103158 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H32N4O6" ; chebi:inchi "InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16+,17+,18-/m0/s1" ; chebi:inchikey "XOXZVIQHUYDNGA-MLHJIOFPSA-N" ; chebi:mass "436.503" ; chebi:monoisotopicmass "436.23218" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4CC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103158" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8R,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_103159 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN4O5" ; chebi:inchi "InChI=1S/C21H27FN4O5/c1-12-19(13(2)31-26-12)25-21(29)23-10-9-16-7-8-17(18(11-27)30-16)24-20(28)14-3-5-15(22)6-4-14/h3-6,16-18,27H,7-11H2,1-2H3,(H,24,28)(H2,23,25,29)/t16-,17+,18-/m0/s1" ; chebi:inchikey "VZLRHERICGIZBB-KSZLIROESA-N" ; chebi:mass "434.462" ; chebi:monoisotopicmass "434.19655" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103159" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide" . obo:CHEBI_10316 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16376 ; owl:deprecated true . obo:CHEBI_103160 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C16H23N3O3" ; chebi:inchi "InChI=1S/C16H23N3O3/c1-3-7-17-16(22)15-11(9-20)10-8-19-12(14(10)18(15)2)5-4-6-13(19)21/h4-6,10-11,14-15,20H,3,7-9H2,1-2H3,(H,17,22)/t10-,11-,14+,15-/m1/s1" ; chebi:inchikey "MRYDESPSWZCGBB-HKCMKHECSA-N" ; chebi:mass "305.373" ; chebi:monoisotopicmass "305.17394" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@H]2N1C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103160" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methyl-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_103161 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O7" ; chebi:inchi "InChI=1S/C21H28N2O7/c1-27-12-19(25)22-13-2-3-17-15(8-13)16-9-14(29-18(11-24)21(16)30-17)10-20(26)23-4-6-28-7-5-23/h2-3,8,14,16,18,21,24H,4-7,9-12H2,1H3,(H,22,25)/t14-,16+,18+,21-/m0/s1" ; chebi:inchikey "YLZXNIXKCHRFQK-QYDULMRYSA-N" ; chebi:mass "420.457" ; chebi:monoisotopicmass "420.18965" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)N4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103161" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-methoxyacetamide" . obo:CHEBI_103162 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35F2N3O4" ; chebi:inchi "InChI=1S/C28H35F2N3O4/c1-17-13-33(14-20-11-21(29)7-10-24(20)30)18(2)16-37-25-12-22(31-27(34)19-5-6-19)8-9-23(25)28(35)32(3)15-26(17)36-4/h7-12,17-19,26H,5-6,13-16H2,1-4H3,(H,31,34)/t17-,18-,26-/m1/s1" ; chebi:inchikey "MHGGQJRIOQBKBK-UYPAYLBCSA-N" ; chebi:mass "515.593" ; chebi:monoisotopicmass "515.25956" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103162" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-[(2,5-difluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_103163 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-15(16-7-5-4-6-8-16)25-23(28)13-18-12-20-19-11-17(26(2)3)9-10-21(19)30-24(20)22(14-27)29-18/h4-11,15,18,20,22,24,27H,12-14H2,1-3H3,(H,25,28)/t15-,18-,20-,22+,24+/m0/s1" ; chebi:inchikey "LSNSUZUVRXFZLV-GFUUYCAGSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103163" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_103164 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H42N4O4" ; chebi:inchi "InChI=1S/C31H42N4O4/c1-21-17-35(22(2)19-36)31(38)30-29(25-13-9-10-14-26(25)34(30)6)24-12-8-7-11-23(24)20-39-27(21)18-33(5)28(37)15-16-32(3)4/h7-14,21-22,27,36H,15-20H2,1-6H3/t21-,22-,27+/m0/s1" ; chebi:inchikey "UPHSEAQPRHOHRJ-BCQCSXDESA-N" ; chebi:mass "534.691" ; chebi:monoisotopicmass "534.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCN(C)C)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103164" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14509" . obo:CHEBI_103165 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O6" ; chebi:inchi "InChI=1S/C35H42N4O6/c1-22-18-39(23(2)20-40)34(41)33-32(27-13-9-10-14-29(27)38(33)4)26-12-8-7-11-24(26)21-45-31(22)19-37(3)35(42)36-28-16-15-25(43-5)17-30(28)44-6/h7-17,22-23,31,40H,18-21H2,1-6H3,(H,36,42)/t22-,23-,31-/m1/s1" ; chebi:inchikey "NTGYADANNGAILP-CEFNRUSXSA-N" ; chebi:mass "614.733" ; chebi:monoisotopicmass "614.31044" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103165" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14510" . obo:CHEBI_103166 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27N3O6S" ; chebi:inchi "InChI=1S/C22H27N3O6S/c1-30-17-2-5-19(6-3-17)32(28,29)25-20-7-4-18(31-21(20)15-26)14-22(27)24-13-10-16-8-11-23-12-9-16/h2-9,11-12,18,20-21,25-26H,10,13-15H2,1H3,(H,24,27)/t18-,20+,21+/m1/s1" ; chebi:inchikey "SKMIIEGWSYGYOW-GIVPXCGWSA-N" ; chebi:mass "461.533" ; chebi:monoisotopicmass "461.16206" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103166" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_103167 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H30Cl2FN3O4" ; chebi:inchi "InChI=1S/C24H30Cl2FN3O4/c1-15(12-30(16(2)14-31)24(33)28-21-7-5-20(27)6-8-21)22(34-4)13-29(3)23(32)17-9-18(25)11-19(26)10-17/h5-11,15-16,22,31H,12-14H2,1-4H3,(H,28,33)/t15-,16+,22+/m0/s1" ; chebi:inchikey "IBBRHRMMLVXSHB-WJONJSRFSA-N" ; chebi:mass "514.418" ; chebi:monoisotopicmass "513.15974" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC(=CC(=C2)Cl)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103167" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,5-dichloro-N-[(2S,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_103168 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c31-23-17-30(16-20-2-1-3-22(14-20)21-6-8-28-9-7-21)25-5-4-24(35-26(25)19-34-18-23)15-27(32)29-10-12-33-13-11-29/h1-3,6-9,14,23-26,31H,4-5,10-13,15-19H2/t23-,24-,25-,26+/m0/s1" ; chebi:inchikey "VMOCTUISBGPURH-ASDGIDEWSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=CC=CC(=C3)C4=CC=NC=C4)O)O[C@@H]1CC(=O)N5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103168" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone" . obo:CHEBI_103169 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-6-27(32)29-23-12-13-24-25(16-23)35-19-21(3)31(15-14-22-10-8-7-9-11-22)17-20(2)26(34-5)18-30(4)28(24)33/h7-13,16,20-21,26H,6,14-15,17-19H2,1-5H3,(H,29,32)/t20-,21+,26-/m1/s1" ; chebi:inchikey "IOFIBAZLXDARLU-YZIHRLCOSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CCC3=CC=CC=C3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103169" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_10317 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17884 ; owl:deprecated true . obo:CHEBI_103170 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25N3O5" ; chebi:inchi "InChI=1S/C18H25N3O5/c22-12-16-14(20-18(24)15-3-1-2-6-19-15)5-4-13(26-16)11-17(23)21-7-9-25-10-8-21/h1-3,6,13-14,16,22H,4-5,7-12H2,(H,20,24)/t13-,14+,16-/m1/s1" ; chebi:inchikey "QWCXAENNPFGWBU-IJEWVQPXSA-N" ; chebi:mass "363.409" ; chebi:monoisotopicmass "363.17942" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103170" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_103171 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H44N4O4" ; chebi:inchi "InChI=1S/C33H44N4O4/c1-22-18-37(23(2)20-38)32(39)31-30(27-16-10-11-17-28(27)36(31)4)26-15-9-8-12-24(26)21-41-29(22)19-35(3)33(40)34-25-13-6-5-7-14-25/h8-12,15-17,22-23,25,29,38H,5-7,13-14,18-21H2,1-4H3,(H,34,40)/t22-,23-,29+/m0/s1" ; chebi:inchikey "INXMEFHWZGRULI-SBZVUBOMSA-N" ; chebi:mass "560.728" ; chebi:monoisotopicmass "560.33626" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4CCCCC4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103171" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14516" . obo:CHEBI_103172 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O5S" ; chebi:inchi "InChI=1S/C24H33N3O5S/c1-17-13-25-18(2)15-32-22-11-10-20(12-21(22)24(28)27(3)14-23(17)31-4)26-33(29,30)16-19-8-6-5-7-9-19/h5-12,17-18,23,25-26H,13-16H2,1-4H3/t17-,18-,23-/m1/s1" ; chebi:inchikey "ITUDOLAPOXZKHG-PMAPCBKXSA-N" ; chebi:mass "475.603" ; chebi:monoisotopicmass "475.21409" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103172" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide" . obo:CHEBI_103173 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O5" ; chebi:inchi "InChI=1S/C27H33F3N2O5/c28-27(29,30)12-13-32-16-20(33)17-35-18-25-24(32)11-10-23(37-25)14-26(34)31-15-19-6-8-22(9-7-19)36-21-4-2-1-3-5-21/h1-9,20,23-25,33H,10-18H2,(H,31,34)/t20-,23-,24+,25-/m1/s1" ; chebi:inchikey "HZAABOSBDYXUMN-ZBCONREDSA-N" ; chebi:mass "522.558" ; chebi:monoisotopicmass "522.23416" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CCC(F)(F)F)O)O[C@H]1CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103173" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_103174 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H33Cl2N3O3" ; chebi:inchi "InChI=1S/C24H33Cl2N3O3/c1-17(13-29(18(2)16-30)14-19-7-5-6-8-22(19)26)23(32-4)15-28(3)24(31)27-21-11-9-20(25)10-12-21/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,27,31)/t17-,18+,23+/m0/s1" ; chebi:inchikey "REZGKQRSIIUNQT-YZZKKUAISA-N" ; chebi:mass "482.444" ; chebi:monoisotopicmass "481.18990" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103174" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-chlorophenyl)-1-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methylurea" . obo:CHEBI_103175 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21-,22-,27+/m1/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-RKGZYEPBSA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@H](C)C(C)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103175" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14520" . obo:CHEBI_103176 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F5N3O3" ; chebi:inchi "InChI=1S/C25H32F5N3O3/c1-16(23(36-4)14-32(3)13-18-11-20(26)7-10-22(18)27)12-33(17(2)15-34)24(35)31-21-8-5-19(6-9-21)25(28,29)30/h5-11,16-17,23,34H,12-15H2,1-4H3,(H,31,35)/t16-,17+,23+/m0/s1" ; chebi:inchikey "JTIGHJUHEGWKGG-YGKZAACZSA-N" ; chebi:mass "517.533" ; chebi:monoisotopicmass "517.23638" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103176" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_103177 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H36N4O6" ; chebi:inchi "InChI=1S/C32H36N4O6/c1-36-27-13-12-25(19-30(37)33-16-15-21-7-4-3-5-8-21)42-29(27)20-41-28-14-11-23(18-26(28)31(36)38)35-32(39)34-22-9-6-10-24(17-22)40-2/h3-11,14,17-18,25,27,29H,12-13,15-16,19-20H2,1-2H3,(H,33,37)(H2,34,35,39)/t25-,27-,29+/m0/s1" ; chebi:inchikey "UEIQSFPBDLFQGU-MDZVADFISA-N" ; chebi:mass "572.653" ; chebi:monoisotopicmass "572.26348" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)OC)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103177" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_103178 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H38N4O6S" ; chebi:inchi "InChI=1S/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20+,27+/m1/s1" ; chebi:inchikey "HAVPCKYPPPKWEI-JVAFGIKQSA-N" ; chebi:mass "594.724" ; chebi:monoisotopicmass "594.25121" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103178" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14523" . obo:CHEBI_103179 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-3-40(36,37)31-21-9-12-26-24(15-21)29(35)32(2)25-11-10-23(39-27(25)19-38-26)16-28(34)30-22-13-14-33(18-22)17-20-7-5-4-6-8-20/h4-9,12,15,22-23,25,27,31H,3,10-11,13-14,16-19H2,1-2H3,(H,30,34)/t22-,23-,25-,27-/m1/s1" ; chebi:inchikey "IJWLFSVDDGQQHF-JTOATPROSA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103179" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_10318 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_22440 ; owl:deprecated true . obo:CHEBI_103180 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C34H43N3O4" ; chebi:inchi "InChI=1S/C34H43N3O4/c1-24-20-37(25(2)22-38)33(39)30-18-12-11-17-29(30)28-16-10-9-15-27(28)23-41-32(24)21-36(5)34(40)31(35(3)4)19-26-13-7-6-8-14-26/h6-18,24-25,31-32,38H,19-23H2,1-5H3/t24-,25-,31-,32+/m0/s1" ; chebi:inchikey "ZQFGNRPCSITOFH-PJKYEMGBSA-N" ; chebi:mass "557.724" ; chebi:monoisotopicmass "557.32536" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103180" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14525" . obo:CHEBI_103181 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H38N4O3" ; chebi:inchi "InChI=1S/C32H38N4O3/c1-22-17-36(23(2)20-37)32(38)31-30(27-13-7-8-14-28(27)35(31)4)26-12-6-5-11-25(26)21-39-29(22)19-34(3)18-24-10-9-15-33-16-24/h5-16,22-23,29,37H,17-21H2,1-4H3/t22-,23+,29-/m0/s1" ; chebi:inchikey "RPGWXCDGQSLPTH-CTWZREHQSA-N" ; chebi:mass "526.670" ; chebi:monoisotopicmass "526.29439" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)CC4=CN=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103181" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14526" . obo:CHEBI_103182 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H28ClN5O3" ; chebi:inchi "InChI=1S/C24H28ClN5O3/c25-18-7-4-8-19(14-18)26-24(32)27-22-10-9-21(33-23(22)16-31)11-12-30-15-20(28-29-30)13-17-5-2-1-3-6-17/h1-8,14-15,21-23,31H,9-13,16H2,(H2,26,27,32)/t21-,22-,23+/m0/s1" ; chebi:inchikey "QIJBHKKZJCMHEO-RJGXRXQPSA-N" ; chebi:mass "469.965" ; chebi:monoisotopicmass "469.18807" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NC(=O)NC4=CC(=CC=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103182" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]urea" . obo:CHEBI_103183 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C24H30N4O3" ; chebi:inchi "InChI=1S/C24H30N4O3/c1-2-11-27-21-18(19(14-29)22(27)23(30)26-16-6-3-7-16)13-28-20(21)9-8-17(24(28)31)15-5-4-10-25-12-15/h4-5,8-10,12,16,18-19,21-22,29H,2-3,6-7,11,13-14H2,1H3,(H,26,30)/t18-,19-,21+,22-/m0/s1" ; chebi:inchikey "FSWHIZWXGPVXBM-MPJJRAAHSA-N" ; chebi:mass "422.521" ; chebi:monoisotopicmass "422.23179" ; chebi:smiles "CCCN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CN=CC=C4)[C@@H]([C@H]1C(=O)NC5CCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103183" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-cyclobutyl-3-(hydroxymethyl)-6-oxo-1-propyl-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_103184 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "DIIJYNJFSHJSFY-LJCOXQHRSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "CN1C[C@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103184" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14529" . obo:CHEBI_103185 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H35F3N4O3" ; chebi:inchi "InChI=1S/C25H35F3N4O3/c1-30(2)12-5-11-29-23(34)22-19(15-33)18-14-32-20(21(18)31(22)13-10-25(26,27)28)9-8-17(24(32)35)16-6-3-4-7-16/h6,8-9,18-19,21-22,33H,3-5,7,10-15H2,1-2H3,(H,29,34)/t18-,19-,21+,22-/m0/s1" ; chebi:inchikey "VFQPYNAQKZTJPV-MPJJRAAHSA-N" ; chebi:mass "496.567" ; chebi:monoisotopicmass "496.26613" ; chebi:smiles "CN(C)CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@@H]2N1CCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103185" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_103186 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c28-21-8-4-5-9-22(21)31-27(34)30-17-10-11-23-19(12-17)20-13-18(35-24(15-32)26(20)36-23)14-25(33)29-16-6-2-1-3-7-16/h4-5,8-12,16,18,20,24,26,32H,1-3,6-7,13-15H2,(H,29,33)(H2,30,31,34)/t18-,20-,24+,26+/m1/s1" ; chebi:inchikey "GAKFIKLLFOVZGV-ODQDCYGBSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103186" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_103187 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H22N2O3S" ; chebi:inchi "InChI=1S/C23H22N2O3S/c1-16-4-2-3-5-22(16)29(27,28)25-20(14-24)23(21(25)15-26)19-12-10-18(11-13-19)9-8-17-6-7-17/h2-5,10-13,17,20-21,23,26H,6-7,15H2,1H3/t20-,21+,23-/m1/s1" ; chebi:inchikey "WYRXOKNMJBDANC-FUPPJEDESA-N" ; chebi:mass "406.499" ; chebi:monoisotopicmass "406.13511" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C#CC4CC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103187" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-(2-methylphenyl)sulfonyl-2-azetidinecarbonitrile" . obo:CHEBI_103188 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C32H39N3O4" ; chebi:inchi "InChI=1S/C32H39N3O4/c1-22-18-35(23(2)20-36)31(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-39-30(22)19-34(4)32(38)33-24(3)25-12-6-5-7-13-25/h5-17,22-24,30,36H,18-21H2,1-4H3,(H,33,38)/t22-,23+,24-,30-/m0/s1" ; chebi:inchikey "VBARFQGDBKSOKL-PUMORYBASA-N" ; chebi:mass "529.671" ; chebi:monoisotopicmass "529.29406" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103188" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14533" . obo:CHEBI_103189 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-15(16-7-5-4-6-8-16)25-23(28)13-18-12-20-19-11-17(26(2)3)9-10-21(19)30-24(20)22(14-27)29-18/h4-11,15,18,20,22,24,27H,12-14H2,1-3H3,(H,25,28)/t15-,18+,20+,22-,24-/m1/s1" ; chebi:inchikey "LSNSUZUVRXFZLV-MOXAOEEZSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103189" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_10319 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35682 . _:b260 rdf:type owl:Restriction . obo:CHEBI_10319 rdfs:subClassOf _:b260 . _:b260 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50902 . _:b261 rdf:type owl:Restriction . obo:CHEBI_10319 rdfs:subClassOf _:b261 . _:b261 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76967 . obo:CHEBI_10319 obo:IAO_0000115 "A naphthol carrying a hydroxy group at position 1." ; chebi:charge "0" ; chebi:formula "C10H8O" ; chebi:inchi "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" ; chebi:inchikey "KJCVRFUGPWSIIH-UHFFFAOYSA-N" ; chebi:mass "144.16992" ; chebi:monoisotopicmass "144.05751" ; chebi:smiles "Oc1cccc2ccccc12" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10319" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "1-naphthol" . obo:CHEBI_103190 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-35-26-12-11-23(17-30(36)33-22-14-19-6-2-3-7-20(19)15-22)41-28(26)18-40-27-13-10-21(16-24(27)31(35)37)34-42(38,39)29-9-5-4-8-25(29)32/h2-10,13,16,22-23,26,28,34H,11-12,14-15,17-18H2,1H3,(H,33,36)/t23-,26+,28-/m0/s1" ; chebi:inchikey "WCNQFBRPFNRKRV-AQHOXQCLSA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103190" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_103191 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H43N5O4" ; chebi:inchi "InChI=1S/C33H43N5O4/c1-6-16-35-33(40)36-27-14-15-30-28(18-27)32(39)37(4)21-31(41-5)23(2)19-38(24(3)22-42-30)20-25-10-12-26(13-11-25)29-9-7-8-17-34-29/h7-15,17-18,23-24,31H,6,16,19-22H2,1-5H3,(H2,35,36,40)/t23-,24+,31-/m0/s1" ; chebi:inchikey "DHPIXDXHWYRYQT-JLELKNTQSA-N" ; chebi:mass "573.727" ; chebi:monoisotopicmass "573.33150" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=C(C=C3)C4=CC=CC=N4)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103191" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[[4-(2-pyridinyl)phenyl]methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_103192 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H21FN2O2" ; chebi:inchi "InChI=1S/C23H21FN2O2/c1-15(2)6-7-16-8-10-17(11-9-16)22-20(13-25)26(21(22)14-27)23(28)18-4-3-5-19(24)12-18/h3-5,8-12,15,20-22,27H,14H2,1-2H3/t20-,21-,22+/m0/s1" ; chebi:inchikey "DGEMMPDKDCWCNC-FDFHNCONSA-N" ; chebi:mass "376.424" ; chebi:monoisotopicmass "376.15871" ; chebi:smiles "CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)C(=O)C3=CC(=CC=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103192" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_103193 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H16FN3O2" ; chebi:inchi "InChI=1S/C18H16FN3O2/c19-13-7-4-8-14(9-13)21-18(24)22-15(10-20)17(16(22)11-23)12-5-2-1-3-6-12/h1-9,15-17,23H,11H2,(H,21,24)/t15-,16+,17+/m1/s1" ; chebi:inchikey "NDKYDEPQZPJKDZ-IKGGRYGDSA-N" ; chebi:mass "325.338" ; chebi:monoisotopicmass "325.12265" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@@H](N([C@@H]2C#N)C(=O)NC3=CC(=CC=C3)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103193" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide" . obo:CHEBI_103194 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H42N4O6" ; chebi:inchi "InChI=1S/C27H42N4O6/c1-6-11-28-27(34)29-21-7-8-22-23(14-21)37-17-19(3)31(25(32)20-9-12-36-13-10-20)15-18(2)24(35-5)16-30(4)26(22)33/h7-8,14,18-20,24H,6,9-13,15-17H2,1-5H3,(H2,28,29,34)/t18-,19+,24-/m1/s1" ; chebi:inchikey "NYJPVGKIWASVOA-YDIMBITNSA-N" ; chebi:mass "518.647" ; chebi:monoisotopicmass "518.31044" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)C(=O)C3CCOCC3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103194" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_103195 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H22F3N3O5" ; chebi:inchi "InChI=1S/C22H22F3N3O5/c23-22(24,25)11-27-19(30)8-14-7-16-15-6-13(28-21(31)12-2-1-5-26-9-12)3-4-17(15)33-20(16)18(10-29)32-14/h1-6,9,14,16,18,20,29H,7-8,10-11H2,(H,27,30)(H,28,31)/t14-,16+,18+,20-/m1/s1" ; chebi:inchikey "ILIPRRONQGJVHL-VKSDOSABSA-N" ; chebi:mass "465.423" ; chebi:monoisotopicmass "465.15116" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103195" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_103196 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H15FN2O2" ; chebi:inchi "InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16+,17-/m1/s1" ; chebi:inchikey "BPKNALSRVQDTLI-IXDOHACOSA-N" ; chebi:mass "310.323" ; chebi:monoisotopicmass "310.11176" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2C#N)C(=O)C3=CC=CC=C3F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103196" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_103197 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O7" ; chebi:inchi "InChI=1S/C23H34N4O7/c28-14-21-18(26-23(30)25-16-2-5-19-20(12-16)33-15-32-19)4-3-17(34-21)13-22(29)24-6-1-7-27-8-10-31-11-9-27/h2,5,12,17-18,21,28H,1,3-4,6-11,13-15H2,(H,24,29)(H2,25,26,30)/t17-,18-,21+/m0/s1" ; chebi:inchikey "WGFFUWNETOGMCB-BBTUJRGHSA-N" ; chebi:mass "478.540" ; chebi:monoisotopicmass "478.24275" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103197" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_103198 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H32N4O6" ; chebi:inchi "InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16+,17+,18-/m1/s1" ; chebi:inchikey "XOXZVIQHUYDNGA-VSZNYVQBSA-N" ; chebi:mass "436.503" ; chebi:monoisotopicmass "436.23218" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4CC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103198" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8S,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_103199 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N5O5S" ; chebi:inchi "InChI=1S/C24H37N5O5S/c1-7-10-29-12-17(2)22(33-6)13-28(5)24(30)20-9-8-19(11-21(20)34-15-18(29)3)26-35(31,32)23-14-27(4)16-25-23/h8-9,11,14,16-18,22,26H,7,10,12-13,15H2,1-6H3/t17-,18+,22-/m1/s1" ; chebi:inchikey "LWIIWTGMFNHRDM-KGVIQGDOSA-N" ; chebi:mass "507.648" ; chebi:monoisotopicmass "507.25154" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103199" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_1032 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28365 ; owl:deprecated true . obo:CHEBI_10320 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24302 ; chebi:charge "0" ; chebi:formula "C16H16O7" ; chebi:inchi "InChI=1S/C16H16O7/c17-11-12(18)14(15(20)21)23-16(13(11)19)22-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-14,16-19H,(H,20,21)/t11-,12-,13+,14-,16+/m0/s1" ; chebi:inchikey "KEQWBZWOGRCILF-JHZZJYKESA-N" ; chebi:mass "320.295" ; chebi:monoisotopicmass "320.08960" ; chebi:smiles "O[C@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10320" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Naphthyl-beta-D-glucuronide" . obo:CHEBI_103200 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H33N3O5S" ; chebi:inchi "InChI=1S/C20H33N3O5S/c1-15-5-8-17(9-6-15)29(26,27)22-18-10-7-16(28-19(18)14-24)13-20(25)21-11-4-12-23(2)3/h5-6,8-9,16,18-19,22,24H,4,7,10-14H2,1-3H3,(H,21,25)/t16-,18+,19-/m0/s1" ; chebi:inchikey "ZAZOOTZCNDNOOW-UHOSZYNNSA-N" ; chebi:mass "427.560" ; chebi:monoisotopicmass "427.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103200" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_103201 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H39N3O7S" ; chebi:inchi "InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23-,25-,27+,28-/m1/s1" ; chebi:inchikey "IXXIZSABFJAVRH-GLXJXMGJSA-N" ; chebi:mass "573.703" ; chebi:monoisotopicmass "573.25087" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103201" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_103202 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35F2N3O5" ; chebi:inchi "InChI=1S/C27H35F2N3O5/c1-17-12-32(13-19-10-20(28)6-8-23(19)29)18(2)15-37-24-9-7-21(30-26(33)16-35-4)11-22(24)27(34)31(3)14-25(17)36-5/h6-11,17-18,25H,12-16H2,1-5H3,(H,30,33)/t17-,18+,25+/m1/s1" ; chebi:inchikey "ZVOSTPFCAQQCID-UZEJHQAJSA-N" ; chebi:mass "519.582" ; chebi:monoisotopicmass "519.25448" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=C(C=CC(=C3)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103202" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_103203 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23-,25-,26-/m0/s1" ; chebi:inchikey "DIIJYNJFSHJSFY-LCGRTSHQSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "CN1C[C@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103203" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14548" . obo:CHEBI_103204 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H36F3N3O4" ; chebi:inchi "InChI=1S/C30H36F3N3O4/c1-19-15-36(20(2)17-37)29(39)28-27(23-11-7-8-12-24(23)35(28)4)22-10-6-5-9-21(22)18-40-25(19)16-34(3)26(38)13-14-30(31,32)33/h5-12,19-20,25,37H,13-18H2,1-4H3/t19-,20-,25-/m1/s1" ; chebi:inchikey "RDYUFLZMPZQAJV-UMEGOILYSA-N" ; chebi:mass "559.621" ; chebi:monoisotopicmass "559.26579" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103204" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14549" . obo:CHEBI_103205 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-38-28(21)18-31(3)39(35,36)29-16-10-9-15-27(29)37-4/h5-16,21-22,28,33H,17-20H2,1-4H3/t21-,22-,28+/m1/s1" ; chebi:inchikey "IDILRECQKBLRIF-XJGOYTCSSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103205" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14550" . obo:CHEBI_103206 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C17H15FN2O" ; chebi:inchi "InChI=1S/C17H15FN2O/c18-14-3-1-2-13(8-14)11-4-6-12(7-5-11)17-15(9-19)20-16(17)10-21/h1-8,15-17,20-21H,10H2/t15-,16-,17+/m1/s1" ; chebi:inchikey "WYIJFLWERXFFKQ-ZACQAIPSSA-N" ; chebi:mass "282.313" ; chebi:monoisotopicmass "282.11684" ; chebi:smiles "C1=CC(=CC(=C1)F)C2=CC=C(C=C2)[C@@H]3[C@H](N[C@@H]3C#N)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103206" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_103207 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H33ClN2O4" ; chebi:inchi "InChI=1S/C26H33ClN2O4/c27-21-8-6-20(7-9-21)15-29-16-22(30)17-32-18-25-24(29)11-10-23(33-25)14-26(31)28-13-12-19-4-2-1-3-5-19/h1-9,22-25,30H,10-18H2,(H,28,31)/t22-,23-,24-,25+/m0/s1" ; chebi:inchikey "CXJRMLHIKXWLHJ-OJJQZRKESA-N" ; chebi:mass "473.005" ; chebi:monoisotopicmass "472.21289" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=CC=C(C=C3)Cl)O)O[C@@H]1CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103207" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_103208 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H29N3O6S" ; chebi:inchi "InChI=1S/C22H29N3O6S/c1-30-20-10-6-5-9-18(20)24-22(27)25-19-12-11-16(31-21(19)15-26)13-14-23-32(28,29)17-7-3-2-4-8-17/h2-10,16,19,21,23,26H,11-15H2,1H3,(H2,24,25,27)/t16-,19+,21-/m0/s1" ; chebi:inchikey "XDPGLRIFEVLTPI-SCWSEQNSSA-N" ; chebi:mass "463.549" ; chebi:monoisotopicmass "463.17771" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103208" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_103209 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H40N4O5" ; chebi:inchi "InChI=1S/C34H40N4O5/c1-22-18-38(23(2)20-39)33(40)32-31(28-15-8-9-16-29(28)37(32)4)27-14-7-6-11-24(27)21-43-30(22)19-36(3)34(41)35-25-12-10-13-26(17-25)42-5/h6-17,22-23,30,39H,18-21H2,1-5H3,(H,35,41)/t22-,23+,30+/m0/s1" ; chebi:inchikey "FNKQMQRSMOAQIH-DDFCPOBKSA-N" ; chebi:mass "584.706" ; chebi:monoisotopicmass "584.29987" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103209" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14554" . obo:CHEBI_10321 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_73237 ; owl:deprecated true . obo:CHEBI_103210 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36609 ; rdfs:subClassOf obo:CHEBI_47022 . _:b262 rdf:type owl:Restriction . obo:CHEBI_103210 rdfs:subClassOf _:b262 . _:b262 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50904 . obo:CHEBI_103210 obo:IAO_0000115 "A cyclic dicarboxylic anhydride that is the cyclic anhydride of hexahydrophthalic acid." ; chebi:charge "0" ; chebi:formula "C8H10O3" ; chebi:inchi "InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2" ; chebi:inchikey "MUTGBJKUEZFXGO-UHFFFAOYSA-N" ; chebi:mass "154.16320" ; chebi:monoisotopicmass "154.06299" ; chebi:smiles "O=C1OC(=O)C2CCCCC12" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103210" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "hexahydrophthalic anhydride" . obo:CHEBI_103211 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_17962 . _:b263 rdf:type owl:Restriction . obo:CHEBI_103211 rdfs:subClassOf _:b263 . _:b263 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b264 rdf:type owl:Restriction . obo:CHEBI_103211 rdfs:subClassOf _:b264 . _:b264 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_28875 . obo:CHEBI_103211 obo:IAO_0000115 "A CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as tetradecanoyl." ; chebi:charge "0" ; chebi:formula "C40H73N3O15P2" ; chebi:inchi "InChI=1S/C40H73N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-35(44)53-29-32(56-36(45)26-24-22-20-18-16-14-12-10-8-6-4-2)30-54-59(49,50)58-60(51,52)55-31-33-37(46)38(47)39(57-33)43-28-27-34(41)42-40(43)48/h27-28,32-33,37-39,46-47H,3-26,29-31H2,1-2H3,(H,49,50)(H,51,52)(H2,41,42,48)/t32-,33-,37-,38-,39-/m1/s1" ; chebi:inchikey "ICFWXMWHAMIZGF-WNAWUNHNSA-N" ; chebi:mass "897.968" ; chebi:monoisotopicmass "897.45169" ; chebi:smiles "O(C[C@@H](COC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O)P(OP(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(N=C(C=C2)N)=O)(=O)O)(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103211" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "1,2-ditetradecanoyl-sn-glycero-3-cytidine 5'-diphosphate" . obo:CHEBI_103212 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30ClFN2O6S2" ; chebi:inchi "InChI=1S/C22H30ClFN2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-18(23)12-21)22(32-4)14-25(3)33(28,29)20-10-8-19(24)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "KNLROJRONDBMAV-GSHUGGBRSA-N" ; chebi:mass "537.068" ; chebi:monoisotopicmass "536.12178" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103212" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3S)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_103213 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-10-6-8-19(24)12-21)22(32-4)14-25(3)33(28,29)20-9-5-7-18(23)11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17-,22+/m1/s1" ; chebi:inchikey "WFGAJOALFFTPKS-YVHKJVDXSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103213" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2R,3R)-4-[(3-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_103214 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H26N6O4" ; chebi:inchi "InChI=1S/C22H26N6O4/c1-31-20-5-3-2-4-16(20)19-13-28(27-26-19)11-8-15-6-7-17(21(14-29)32-15)25-22(30)18-12-23-9-10-24-18/h2-5,9-10,12-13,15,17,21,29H,6-8,11,14H2,1H3,(H,25,30)/t15-,17+,21-/m0/s1" ; chebi:inchikey "WCJFLIIYNCSVNP-XPIZARPCSA-N" ; chebi:mass "438.480" ; chebi:monoisotopicmass "438.20155" ; chebi:smiles "COC1=CC=CC=C1C2=CN(N=N2)CC[C@@H]3CC[C@H]([C@@H](O3)CO)NC(=O)C4=NC=CN=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103214" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyrazinecarboxamide" . obo:CHEBI_103215 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O7" ; chebi:inchi "InChI=1S/C21H28N2O7/c1-27-12-19(25)22-13-2-3-17-15(8-13)16-9-14(29-18(11-24)21(16)30-17)10-20(26)23-4-6-28-7-5-23/h2-3,8,14,16,18,21,24H,4-7,9-12H2,1H3,(H,22,25)/t14-,16-,18+,21+/m1/s1" ; chebi:inchikey "YLZXNIXKCHRFQK-GXLIZGDTSA-N" ; chebi:mass "420.457" ; chebi:monoisotopicmass "420.18965" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)N4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103215" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-methoxyacetamide" . obo:CHEBI_103216 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H32FN3O4" ; chebi:inchi "InChI=1S/C28H32FN3O4/c29-21-8-4-3-7-18(21)19-11-12-22-26-25(27(35)30-17-5-1-2-6-17)20(15-33)23(14-31(22)28(19)36)32(26)24(34)13-16-9-10-16/h3-4,7-8,11-12,16-17,20,23,25-26,33H,1-2,5-6,9-10,13-15H2,(H,30,35)/t20-,23-,25+,26+/m1/s1" ; chebi:inchikey "ISISPWKPTDWXNP-HDDJIDQQSA-N" ; chebi:mass "493.571" ; chebi:monoisotopicmass "493.23768" ; chebi:smiles "C1CCC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@@H]2N3C(=O)CC6CC6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103216" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14560" . obo:CHEBI_103217 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H21N3OS" ; chebi:inchi "InChI=1S/C19H21N3OS/c1-3-5-13-6-8-14(9-7-13)18-16(10-20)22(17(18)11-23)19-21-15(4-2)12-24-19/h3,5-9,12,16-18,23H,4,11H2,1-2H3/t16-,17+,18+/m0/s1" ; chebi:inchikey "SLFKQKCTISPXPS-RCCFBDPRSA-N" ; chebi:mass "339.456" ; chebi:monoisotopicmass "339.14053" ; chebi:smiles "CCC1=CSC(=N1)N2[C@@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C=CC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103217" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14561" . obo:CHEBI_103218 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25ClN2O6" ; chebi:inchi "InChI=1S/C24H25ClN2O6/c1-27-19-8-7-17(12-22(28)31-2)33-21(19)13-32-20-9-6-16(11-18(20)24(27)30)26-23(29)14-4-3-5-15(25)10-14/h3-6,9-11,17,19,21H,7-8,12-13H2,1-2H3,(H,26,29)/t17-,19-,21+/m0/s1" ; chebi:inchikey "PZXWXIAUASIELU-HFSMHLIXSA-N" ; chebi:mass "472.919" ; chebi:monoisotopicmass "472.14011" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)CC(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103218" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_103219 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C9H17NO4" ; chebi:inchi "InChI=1S/C9H17NO4/c1-13-9(12)4-6-2-3-7(10)8(5-11)14-6/h6-8,11H,2-5,10H2,1H3/t6-,7-,8+/m1/s1" ; chebi:inchikey "OCLDGUCQSRMFDC-PRJMDXOYSA-N" ; chebi:mass "203.236" ; chebi:monoisotopicmass "203.11576" ; chebi:smiles "COC(=O)C[C@H]1CC[C@H]([C@@H](O1)CO)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103219" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6R)-5-amino-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester" . obo:CHEBI_10322 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C17H26N2O" ; chebi:inchi "InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12+,13-,17-/m1/s1" ; chebi:inchikey "HXJHQEWSHQXRPH-IPJQOSJUSA-N" ; chebi:mass "274.402" ; chebi:monoisotopicmass "274.20451" ; chebi:smiles "C[C@@H]1C[C@H]2CC3=C(CCC(=O)N3)[C@@]3(C1)[C@@H]2CCCN3C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10322" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Obscurine" . obo:CHEBI_103220 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C21H28Cl2N2O6" ; chebi:inchi "InChI=1S/C21H28Cl2N2O6/c1-29-5-4-24-20(27)9-17-2-3-18-19(31-17)12-30-11-16(26)10-25(18)21(28)13-6-14(22)8-15(23)7-13/h6-8,16-19,26H,2-5,9-12H2,1H3,(H,24,27)/t16-,17+,18-,19+/m0/s1" ; chebi:inchikey "GXFSXISHSMAVNQ-ZSYWTGECSA-N" ; chebi:mass "475.364" ; chebi:monoisotopicmass "474.13244" ; chebi:smiles "COCCNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103220" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_103221 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O5S2" ; chebi:inchi "InChI=1S/C22H32N4O5S2/c1-15-11-26(13-21-23-8-9-32-21)16(2)14-31-19-10-17(24-33(5,28)29)6-7-18(19)22(27)25(3)12-20(15)30-4/h6-10,15-16,20,24H,11-14H2,1-5H3/t15-,16+,20-/m1/s1" ; chebi:inchikey "ILRMXYQNFGXKSX-GQIGUUNPSA-N" ; chebi:mass "496.646" ; chebi:monoisotopicmass "496.18141" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103221" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_103222 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c1-2-9-26-22(30)12-15-11-17-16-10-14(7-8-20(16)33-23(17)21(13-29)32-15)27-24(31)28-19-6-4-3-5-18(19)25/h3-8,10,15,17,21,23,29H,2,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,17+,21-,23-/m0/s1" ; chebi:inchikey "KFOACEMMMUKWEO-KCLKCTNDSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "CCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103222" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_103223 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27FN4O6S" ; chebi:inchi "InChI=1S/C22H27FN4O6S/c23-15-2-1-3-19(8-15)34(30,31)27-11-17(28)12-32-13-21-20(27)5-4-18(33-21)9-22(29)25-10-16-6-7-24-14-26-16/h1-3,6-8,14,17-18,20-21,28H,4-5,9-13H2,(H,25,29)/t17-,18+,20-,21+/m0/s1" ; chebi:inchikey "FPMJOPUHYZGMQU-IZZBFERCSA-N" ; chebi:mass "494.538" ; chebi:monoisotopicmass "494.16353" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2S(=O)(=O)C3=CC=CC(=C3)F)O)O[C@H]1CC(=O)NCC4=NC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103223" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide" . obo:CHEBI_103224 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H40N4O4S" ; chebi:inchi "InChI=1S/C32H40N4O4S/c1-32(2,3)41(39)36-21-24-20-26(31(38)35-16-14-34(4)15-17-35)33-30(29(24)27(36)13-18-37)23-10-8-9-22(19-23)25-11-6-7-12-28(25)40-5/h6-12,19-20,27,37H,13-18,21H2,1-5H3/t27-,41-/m1/s1" ; chebi:inchikey "XPPDMEIYHITZLE-KWAZPYRMSA-N" ; chebi:mass "576.752" ; chebi:monoisotopicmass "576.27703" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4OC)C(=O)N5CCN(CC5)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103224" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_103225 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-15(16-7-5-4-6-8-16)25-23(28)13-18-12-20-19-11-17(26(2)3)9-10-21(19)30-24(20)22(14-27)29-18/h4-11,15,18,20,22,24,27H,12-14H2,1-3H3,(H,25,28)/t15-,18+,20+,22-,24-/m0/s1" ; chebi:inchikey "LSNSUZUVRXFZLV-PSKGUGQPSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103225" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_103226 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28F3N3O6" ; chebi:inchi "InChI=1S/C25H28F3N3O6/c1-35-9-8-29-22(33)12-17-11-19-18-10-16(6-7-20(18)37-23(19)21(13-32)36-17)31-24(34)30-15-4-2-14(3-5-15)25(26,27)28/h2-7,10,17,19,21,23,32H,8-9,11-13H2,1H3,(H,29,33)(H2,30,31,34)/t17-,19+,21+,23-/m1/s1" ; chebi:inchikey "JDHDHCLBKAEOSQ-QXPQREGVSA-N" ; chebi:mass "523.502" ; chebi:monoisotopicmass "523.19302" ; chebi:smiles "COCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103226" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_103227 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-27-16-7-2-4-14(10-16)12-22-20(25)11-17-8-9-18(19(13-24)28-17)23-21(26)15-5-3-6-15/h2,4,7-10,15,17-19,24H,3,5-6,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18+,19+/m1/s1" ; chebi:inchikey "QDYPPDFKKOAHDR-QYZOEREBSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)C3CCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103227" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide" . obo:CHEBI_103228 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(25(32)19-6-8-20(27)9-7-19)17(2)15-35-23-11-10-21(28-18(3)31)12-22(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,31)/t16-,17+,24+/m0/s1" ; chebi:inchikey "OZIBRDAYFOJMNO-OBWXTZQISA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103228" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-5-[(4-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_103229 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H34N4O4" ; chebi:inchi "InChI=1S/C21H34N4O4/c1-6-9-22-21(27)24-16-7-8-18-17(10-16)20(26)25(4)12-19(28-5)14(2)11-23-15(3)13-29-18/h7-8,10,14-15,19,23H,6,9,11-13H2,1-5H3,(H2,22,24,27)/t14-,15-,19+/m0/s1" ; chebi:inchikey "FSHWRMSUZBSSQF-YZVOILCLSA-N" ; chebi:mass "406.520" ; chebi:monoisotopicmass "406.25801" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](NC[C@@H]([C@@H](CN(C2=O)C)OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103229" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_10323 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18280 ; owl:deprecated true . obo:CHEBI_103230 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-9-8-19(11-20(21)23(30)29(3)13-22(15)32-4)28-24(31)27-18-7-5-6-17(25)10-18/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16+,22-/m1/s1" ; chebi:inchikey "WJKSFTDVZIMVMK-ZMPRRUGASA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103230" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_103231 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C30H41N3O4" ; chebi:inchi "InChI=1S/C30H41N3O4/c1-21-17-33(22(2)19-34)29(35)27-16-10-9-15-26(27)25-14-8-7-11-23(25)20-37-28(21)18-32(3)30(36)31-24-12-5-4-6-13-24/h7-11,14-16,21-22,24,28,34H,4-6,12-13,17-20H2,1-3H3,(H,31,36)/t21-,22+,28-/m0/s1" ; chebi:inchikey "FOMDXHZXOKRLRD-TYPXCFOJSA-N" ; chebi:mass "507.665" ; chebi:monoisotopicmass "507.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4CCCCC4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103231" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14575" . obo:CHEBI_103232 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H29N3O2" ; chebi:inchi "InChI=1S/C23H29N3O2/c1-16(2)25-23(28)26-20(14-24)22(21(26)15-27)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h10-13,16-17,20-22,27H,3-7,15H2,1-2H3,(H,25,28)/t20-,21+,22-/m0/s1" ; chebi:inchikey "FHQNTJUBGIRGFL-BDTNDASRSA-N" ; chebi:mass "379.496" ; chebi:monoisotopicmass "379.22598" ; chebi:smiles "CC(C)NC(=O)N1[C@@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C#CC3CCCCC3)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103232" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide" . obo:CHEBI_103233 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H29N5O4" ; chebi:inchi "InChI=1S/C28H29N5O4/c1-3-7-19-10-11-23-24-20(15-32(23)27(19)36)21(16-34)25(33(24)28(37)22-14-29-12-13-30-22)26(35)31-17(2)18-8-5-4-6-9-18/h3-14,17,20-21,24-25,34H,15-16H2,1-2H3,(H,31,35)/t17-,20-,21-,24+,25-/m0/s1" ; chebi:inchikey "GAGDVGIWPFJCDU-DDNPLQQISA-N" ; chebi:mass "499.562" ; chebi:monoisotopicmass "499.22195" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)C4=NC=CN=C4)C(=O)N[C@@H](C)C5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103233" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14577" . obo:CHEBI_103234 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H26FN3O4" ; chebi:inchi "InChI=1S/C24H26FN3O4/c1-4-5-14-8-11-18-21-20(24(32)26(2)3)17(13-29)19(12-27(18)22(14)30)28(21)23(31)15-6-9-16(25)10-7-15/h4-11,17,19-21,29H,12-13H2,1-3H3/t17-,19-,20+,21+/m0/s1" ; chebi:inchikey "QHTBDTJLVQLHTQ-MJUUVYJYSA-N" ; chebi:mass "439.480" ; chebi:monoisotopicmass "439.19073" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)C4=CC=C(C=C4)F)CN2C1=O)CO)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103234" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14578" . obo:CHEBI_103235 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O3" ; chebi:inchi "InChI=1S/C27H33N3O3/c1-2-8-19-13-14-23-24-21(16-29(23)27(19)33)22(17-31)25(30(24)15-18-9-6-7-10-18)26(32)28-20-11-4-3-5-12-20/h2-5,8,11-14,18,21-22,24-25,31H,6-7,9-10,15-17H2,1H3,(H,28,32)/t21-,22-,24+,25-/m1/s1" ; chebi:inchikey "QEPNFHJXKIVVNT-YQIMAOPZSA-N" ; chebi:mass "447.570" ; chebi:monoisotopicmass "447.25219" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CC4CCCC4)C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103235" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14579" . obo:CHEBI_103236 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H35N3O3" ; chebi:inchi "InChI=1S/C24H35N3O3/c1-3-7-17-10-11-19-22-21(23(29)25-12-4-2)18(15-28)20(14-27(19)24(17)30)26(22)13-16-8-5-6-9-16/h3,7,10-11,16,18,20-22,28H,4-6,8-9,12-15H2,1-2H3,(H,25,29)/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "GKHQQRXCSHYBEI-YJMBLLCNSA-N" ; chebi:mass "413.554" ; chebi:monoisotopicmass "413.26784" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1N2CC4CCCC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103236" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14580" . obo:CHEBI_103237 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H29N3O4" ; chebi:inchi "InChI=1S/C22H29N3O4/c1-3-5-14-8-9-17-19-15(11-24(17)22(14)29)16(12-26)20(21(28)23-4-2)25(19)18(27)10-13-6-7-13/h3,5,8-9,13,15-16,19-20,26H,4,6-7,10-12H2,1-2H3,(H,23,28)/t15-,16-,19+,20-/m0/s1" ; chebi:inchikey "HKPODECSJAYGRS-FEHORTKBSA-N" ; chebi:mass "399.484" ; chebi:monoisotopicmass "399.21581" ; chebi:smiles "CCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]2N1C(=O)CC4CC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103237" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14581" . obo:CHEBI_103238 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28F2N4O4" ; chebi:inchi "InChI=1S/C25H28F2N4O4/c1-3-5-14-6-9-19-22-21(23(33)28-10-4-2)16(13-32)20(12-30(19)24(14)34)31(22)25(35)29-18-11-15(26)7-8-17(18)27/h3,5-9,11,16,20-22,32H,4,10,12-13H2,1-2H3,(H,28,33)(H,29,35)/t16-,20-,21+,22+/m0/s1" ; chebi:inchikey "ICXYKFCCQOPFQC-FBEWHJACSA-N" ; chebi:mass "486.512" ; chebi:monoisotopicmass "486.20786" ; chebi:smiles "CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1N2C(=O)NC4=C(C=CC(=C4)F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103238" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14582" . obo:CHEBI_103239 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C22H26N4O3" ; chebi:inchi "InChI=1S/C22H26N4O3/c1-3-6-14-8-9-17-20-19(21(28)24-11-15-7-4-5-10-23-15)16(13-27)18(25(20)2)12-26(17)22(14)29/h3-10,16,18-20,27H,11-13H2,1-2H3,(H,24,28)/t16-,18-,19+,20+/m1/s1" ; chebi:inchikey "DXALFQYFVAIBRG-LMCOJAPRSA-N" ; chebi:mass "394.468" ; chebi:monoisotopicmass "394.20049" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C)CN2C1=O)CO)C(=O)NCC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103239" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14583" . obo:CHEBI_10324 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25036 ; rdfs:subClassOf obo:CHEBI_33853 ; rdfs:subClassOf obo:CHEBI_37581 ; rdfs:subClassOf obo:CHEBI_38163 ; rdfs:subClassOf obo:CHEBI_50307 . _:b265 rdf:type owl:Restriction . obo:CHEBI_10324 rdfs:subClassOf _:b265 . _:b265 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . _:b266 rdf:type owl:Restriction . obo:CHEBI_10324 rdfs:subClassOf _:b266 . _:b266 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . obo:CHEBI_10324 obo:IAO_0000115 "An organic heterotetracyclic compound that is 4'-demethylpodophyllotoxin which is substituted by a hydroxy group at position 10 but which is lacking the hydroxy group at position 9. It is found as a glucoside in the rhizomes of Podophyllum peltatum." ; chebi:charge "0" ; chebi:formula "C21H20O8" ; chebi:inchi "InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17-/m0/s1" ; chebi:inchikey "JGGWNGRBXJWAOC-HKJPBSJPSA-N" ; chebi:mass "400.37870" ; chebi:monoisotopicmass "400.11582" ; chebi:smiles "[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3c(O)c1C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10324" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-peltatin" . obo:CHEBI_103240 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33575 ; rdfs:subClassOf obo:CHEBI_46767 ; chebi:charge "0" ; chebi:formula "C22H30N2O5" ; chebi:inchi "InChI=1S/C22H30N2O5/c1-3-4-15-5-6-17-20-19(22(27)28-2)16(13-25)18(12-24(17)21(15)26)23(20)11-14-7-9-29-10-8-14/h3-6,14,16,18-20,25H,7-13H2,1-2H3/t16-,18-,19+,20+/m1/s1" ; chebi:inchikey "YYKXHGZVSNLVER-LMCOJAPRSA-N" ; chebi:mass "402.485" ; chebi:monoisotopicmass "402.21547" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CC4CCOCC4)CN2C1=O)CO)C(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103240" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14584" . obo:CHEBI_103241 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H29N3O4" ; chebi:inchi "InChI=1S/C22H29N3O4/c1-3-5-14-8-9-17-19-15(11-24(17)22(14)29)16(12-26)20(21(28)23-4-2)25(19)18(27)10-13-6-7-13/h3,5,8-9,13,15-16,19-20,26H,4,6-7,10-12H2,1-2H3,(H,23,28)/t15-,16-,19+,20-/m1/s1" ; chebi:inchikey "HKPODECSJAYGRS-YAJHFMINSA-N" ; chebi:mass "399.484" ; chebi:monoisotopicmass "399.21581" ; chebi:smiles "CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]2N1C(=O)CC4CC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103241" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14585" . obo:CHEBI_103242 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b267 rdf:type owl:Restriction . obo:CHEBI_103242 rdfs:subClassOf _:b267 . _:b267 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_103242 chebi:charge "0" ; chebi:formula "C23H25N3O5" ; chebi:inchi "InChI=1S/C23H25N3O5/c1-2-3-14-5-6-17-21-20(15(11-27)16(25-21)10-26(17)23(14)29)22(28)24-9-13-4-7-18-19(8-13)31-12-30-18/h2-8,15-16,20-21,25,27H,9-12H2,1H3,(H,24,28)/t15-,16-,20+,21+/m0/s1" ; chebi:inchikey "ZLAIHPPUWVVFMW-LVNJIZSUSA-N" ; chebi:mass "423.463" ; chebi:monoisotopicmass "423.17942" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3)CN2C1=O)CO)C(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103242" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14586" . obo:CHEBI_103243 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28F2N4O4" ; chebi:inchi "InChI=1S/C25H28F2N4O4/c1-3-5-14-6-9-19-22-21(23(33)28-10-4-2)16(13-32)20(12-30(19)24(14)34)31(22)25(35)29-18-11-15(26)7-8-17(18)27/h3,5-9,11,16,20-22,32H,4,10,12-13H2,1-2H3,(H,28,33)(H,29,35)/t16-,20-,21+,22+/m1/s1" ; chebi:inchikey "ICXYKFCCQOPFQC-XXMUNEJQSA-N" ; chebi:mass "486.512" ; chebi:monoisotopicmass "486.20786" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1N2C(=O)NC4=C(C=CC(=C4)F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103243" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14587" . obo:CHEBI_103244 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C22H26N4O3" ; chebi:inchi "InChI=1S/C22H26N4O3/c1-3-6-14-8-9-17-20-19(21(28)24-11-15-7-4-5-10-23-15)16(13-27)18(25(20)2)12-26(17)22(14)29/h3-10,16,18-20,27H,11-13H2,1-2H3,(H,24,28)/t16-,18-,19+,20+/m0/s1" ; chebi:inchikey "DXALFQYFVAIBRG-IJXRJRJASA-N" ; chebi:mass "394.468" ; chebi:monoisotopicmass "394.20049" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C)CN2C1=O)CO)C(=O)NCC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103244" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14588" . obo:CHEBI_103245 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H23F3N4O4" ; chebi:inchi "InChI=1S/C23H23F3N4O4/c1-2-4-13-6-7-17-18-15(10-29(17)21(13)33)16(11-31)19(20(32)28-12-23(24,25)26)30(18)22(34)14-5-3-8-27-9-14/h2-9,15-16,18-19,31H,10-12H2,1H3,(H,28,32)/t15-,16-,18+,19-/m0/s1" ; chebi:inchikey "HTNUCZUVQLGPFO-DKKFBQAASA-N" ; chebi:mass "476.449" ; chebi:monoisotopicmass "476.16714" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)C4=CN=CC=C4)C(=O)NCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103245" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14589" . obo:CHEBI_103246 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H31N3O3" ; chebi:inchi "InChI=1S/C25H31N3O3/c1-4-9-18-12-13-20-23-22(24(30)26-16(3)17-10-7-6-8-11-17)19(15-29)21(27(23)5-2)14-28(20)25(18)31/h4,6-13,16,19,21-23,29H,5,14-15H2,1-3H3,(H,26,30)/t16-,19+,21+,22-,23-/m1/s1" ; chebi:inchikey "ZMVMPHHWVOTKTD-BLYUNERFSA-N" ; chebi:mass "421.533" ; chebi:monoisotopicmass "421.23654" ; chebi:smiles "CCN1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)N[C@H](C)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103246" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14590" . obo:CHEBI_103247 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H32N6O4" ; chebi:inchi "InChI=1S/C26H32N6O4/c1-2-5-16-8-9-21-22-19(13-31(21)25(16)35)20(14-33)23(24(34)28-12-18-10-11-27-15-29-18)32(22)26(36)30-17-6-3-4-7-17/h2,5,8-11,15,17,19-20,22-23,33H,3-4,6-7,12-14H2,1H3,(H,28,34)(H,30,36)/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "NIAAUHDJHRCSBO-RLBLXZPPSA-N" ; chebi:mass "492.571" ; chebi:monoisotopicmass "492.24850" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)NC4CCCC4)C(=O)NCC5=NC=NC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103247" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14591" . obo:CHEBI_103248 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-3-6-18-9-10-22-24-20(16-29(22)26(18)32)21(17-31)25(27(33)28-11-13-35-14-12-28)30(24)15-19-7-4-5-8-23(19)34-2/h3-10,20-21,24-25,31H,11-17H2,1-2H3/t20-,21-,24+,25-/m1/s1" ; chebi:inchikey "KLSOMJQHNGKNNV-KZKYLIHBSA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CC4=CC=CC=C4OC)C(=O)N5CCOCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103248" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14592" . obo:CHEBI_103249 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H28N4O4" ; chebi:inchi "InChI=1S/C22H28N4O4/c1-3-5-14-6-7-18-19-16(10-25(18)22(14)29)17(11-27)20(21(28)23-8-4-2)26(19)9-15-12-30-13-24-15/h3,5-7,12-13,16-17,19-20,27H,4,8-11H2,1-2H3,(H,23,28)/t16-,17-,19+,20-/m1/s1" ; chebi:inchikey "UIYBGHYPRRSBHH-IZBJGVDFSA-N" ; chebi:mass "412.483" ; chebi:monoisotopicmass "412.21106" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]2N1CC4=COC=N4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103249" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14593" . obo:CHEBI_103250 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H33N5O4" ; chebi:inchi "InChI=1S/C26H33N5O4/c1-3-5-16-8-9-21-22-19(13-30(21)25(16)34)20(14-32)23(31(22)26(35)17-6-4-7-17)24(33)27-11-10-18-12-29(2)15-28-18/h3,5,8-9,12,15,17,19-20,22-23,32H,4,6-7,10-11,13-14H2,1-2H3,(H,27,33)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "UQZMKBRPQWZRBW-YXPKMTABSA-N" ; chebi:mass "479.572" ; chebi:monoisotopicmass "479.25325" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)C4CCC4)C(=O)NCCC5=CN(C=N5)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103250" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14594" . obo:CHEBI_103251 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H21FN2O6S" ; chebi:inchi "InChI=1S/C21H21FN2O6S/c1-2-5-12-8-9-15-19-18(21(27)28)13(11-25)16(10-23(15)20(12)26)24(19)31(29,30)17-7-4-3-6-14(17)22/h2-9,13,16,18-19,25H,10-11H2,1H3,(H,27,28)/t13-,16-,18+,19+/m1/s1" ; chebi:inchikey "YSPVRUAWSOLRRU-OLQIXAPSSA-N" ; chebi:mass "448.467" ; chebi:monoisotopicmass "448.11044" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3S(=O)(=O)C4=CC=CC=C4F)CN2C1=O)CO)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103251" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14595" . obo:CHEBI_103252 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C27H33N3O4" ; chebi:inchi "InChI=1S/C27H33N3O4/c1-3-6-18-11-12-21-25-24(26(32)28-13-17-9-10-17)20(16-31)22(15-30(21)27(18)33)29(25)14-19-7-4-5-8-23(19)34-2/h3-8,11-12,17,20,22,24-25,31H,9-10,13-16H2,1-2H3,(H,28,32)/t20-,22-,24+,25+/m1/s1" ; chebi:inchikey "HTMWEZISYHEYGX-KAKDDGLXSA-N" ; chebi:mass "463.570" ; chebi:monoisotopicmass "463.24711" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CC4=CC=CC=C4OC)CN2C1=O)CO)C(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103252" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14596" . obo:CHEBI_103253 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H26ClN3O5S" ; chebi:inchi "InChI=1S/C23H26ClN3O5S/c1-3-6-14-9-10-19-20-16(12-26(19)23(14)30)17(13-28)21(27(20)33(2,31)32)22(29)25-11-15-7-4-5-8-18(15)24/h3-10,16-17,20-21,28H,11-13H2,1-2H3,(H,25,29)/t16-,17-,20+,21-/m1/s1" ; chebi:inchikey "GLXDGGACPBJUPS-SGLNWRHMSA-N" ; chebi:mass "491.990" ; chebi:monoisotopicmass "491.12817" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3S(=O)(=O)C)C(=O)NCC4=CC=CC=C4Cl)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103253" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14597" . obo:CHEBI_103254 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C26H29N3O7" ; chebi:inchi "InChI=1S/C26H29N3O7/c1-3-4-16-6-7-18-24-23(25(32)27-10-15-5-8-20-21(9-15)36-14-35-20)17(12-30)19(11-28(18)26(16)33)29(24)22(31)13-34-2/h3-9,17,19,23-24,30H,10-14H2,1-2H3,(H,27,32)/t17-,19-,23+,24+/m0/s1" ; chebi:inchikey "HQJXANMCBMUVFV-BLCURXPKSA-N" ; chebi:mass "495.525" ; chebi:monoisotopicmass "495.20055" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)COC)CN2C1=O)CO)C(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103254" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14598" . obo:CHEBI_103255 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H31N5O4" ; chebi:inchi "InChI=1S/C24H31N5O4/c1-4-6-15-7-8-18-22-21(23(32)25-10-9-16-11-27(3)14-26-16)17(13-30)19(12-28(18)24(15)33)29(22)20(31)5-2/h4,6-8,11,14,17,19,21-22,30H,5,9-10,12-13H2,1-3H3,(H,25,32)/t17-,19-,21+,22+/m1/s1" ; chebi:inchikey "VOGACUDSELLWLB-IVOMFYJKSA-N" ; chebi:mass "453.535" ; chebi:monoisotopicmass "453.23760" ; chebi:smiles "CCC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)NCCC4=CN(C=N4)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103255" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14599" . obo:CHEBI_103256 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C26H35N5O5" ; chebi:inchi "InChI=1S/C26H35N5O5/c1-2-4-18-5-6-21-24-23(25(33)27-7-3-8-29-9-11-35-12-10-29)20(15-32)22(14-31(21)26(18)34)30(24)13-19-16-36-17-28-19/h2,4-6,16-17,20,22-24,32H,3,7-15H2,1H3,(H,27,33)/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "PCOBEWZBZDTQSP-AZOUXBGGSA-N" ; chebi:mass "497.588" ; chebi:monoisotopicmass "497.26382" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CC4=COC=N4)CN2C1=O)CO)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103256" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14600" . obo:CHEBI_103257 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O3" ; chebi:inchi "InChI=1S/C27H33N3O3/c1-2-8-19-13-14-23-24-21(16-29(23)27(19)33)22(17-31)25(30(24)15-18-9-6-7-10-18)26(32)28-20-11-4-3-5-12-20/h2-5,8,11-14,18,21-22,24-25,31H,6-7,9-10,15-17H2,1H3,(H,28,32)/t21-,22-,24+,25-/m0/s1" ; chebi:inchikey "QEPNFHJXKIVVNT-HFOXQMJASA-N" ; chebi:mass "447.570" ; chebi:monoisotopicmass "447.25219" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CC4CCCC4)C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103257" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14601" . obo:CHEBI_103258 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H28ClN3O3" ; chebi:inchi "InChI=1S/C24H28ClN3O3/c1-3-6-16-9-10-19-22-21(23(30)26-4-2)18(14-29)20(13-28(19)24(16)31)27(22)12-15-7-5-8-17(25)11-15/h3,5-11,18,20-22,29H,4,12-14H2,1-2H3,(H,26,30)/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "MZSYIDBVYNJBAP-YJMBLLCNSA-N" ; chebi:mass "441.951" ; chebi:monoisotopicmass "441.18192" ; chebi:smiles "CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1N2CC4=CC(=CC=C4)Cl)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103258" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14602" . obo:CHEBI_103259 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H24F2N4O3S" ; chebi:inchi "InChI=1S/C25H24F2N4O3S/c1-2-3-14-4-7-20-21-17(12-30(20)24(14)34)18(13-32)22(23(33)29-25-28-8-9-35-25)31(21)11-15-10-16(26)5-6-19(15)27/h2-10,17-18,21-22,32H,11-13H2,1H3,(H,28,29,33)/t17-,18-,21+,22-/m1/s1" ; chebi:inchikey "ZDIAMMWGBAVDPO-RPHTVSPISA-N" ; chebi:mass "498.547" ; chebi:monoisotopicmass "498.15372" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CC4=C(C=CC(=C4)F)F)C(=O)NC5=NC=CS5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103259" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14603" . obo:CHEBI_10326 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_36740 ; owl:deprecated true . obo:CHEBI_103260 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H26N2O6S" ; chebi:inchi "InChI=1S/C23H26N2O6S/c1-4-6-15-9-10-18-21-20(23(28)31-3)17(13-26)19(12-24(18)22(15)27)25(21)32(29,30)16-8-5-7-14(2)11-16/h4-11,17,19-21,26H,12-13H2,1-3H3/t17-,19-,20+,21+/m0/s1" ; chebi:inchikey "JDXNLCPGROUHQS-MJUUVYJYSA-N" ; chebi:mass "458.529" ; chebi:monoisotopicmass "458.15116" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3S(=O)(=O)C4=CC=CC(=C4)C)CN2C1=O)CO)C(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103260" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14604" . obo:CHEBI_103261 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H26F3N3O3" ; chebi:inchi "InChI=1S/C20H26F3N3O3/c1-4-5-12-6-7-15-16-13(10-26(15)18(12)28)14(11-27)17(19(29)24(2)3)25(16)9-8-20(21,22)23/h4-7,13-14,16-17,27H,8-11H2,1-3H3/t13-,14-,16+,17-/m0/s1" ; chebi:inchikey "VAVDPECDKRRSEN-DIECFANBSA-N" ; chebi:mass "413.435" ; chebi:monoisotopicmass "413.19263" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CCC(F)(F)F)C(=O)N(C)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103261" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14605" . obo:CHEBI_103262 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H31N3O3" ; chebi:inchi "InChI=1S/C26H31N3O3/c1-3-7-16-10-11-22-23-20(14-29(22)26(16)32)21(15-30)24(28(23)4-2)25(31)27-19-12-17-8-5-6-9-18(17)13-19/h3,5-11,19-21,23-24,30H,4,12-15H2,1-2H3,(H,27,31)/t20-,21-,23+,24-/m1/s1" ; chebi:inchikey "SKIOLEAINHAYRR-CJTFWIGWSA-N" ; chebi:mass "433.544" ; chebi:monoisotopicmass "433.23654" ; chebi:smiles "CCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C=CC)[C@H]([C@@H]1C(=O)NC4CC5=CC=CC=C5C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103262" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14606" . obo:CHEBI_103263 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H29N5O4" ; chebi:inchi "InChI=1S/C28H29N5O4/c1-3-7-19-10-11-23-24-20(15-32(23)27(19)36)21(16-34)25(33(24)28(37)22-14-29-12-13-30-22)26(35)31-17(2)18-8-5-4-6-9-18/h3-14,17,20-21,24-25,34H,15-16H2,1-2H3,(H,31,35)/t17-,20-,21-,24+,25-/m1/s1" ; chebi:inchikey "GAGDVGIWPFJCDU-WVJYQVJNSA-N" ; chebi:mass "499.562" ; chebi:monoisotopicmass "499.22195" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)C4=NC=CN=C4)C(=O)N[C@H](C)C5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103263" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14607" . obo:CHEBI_103264 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C26H32N4O3" ; chebi:inchi "InChI=1S/C26H32N4O3/c1-2-8-18-10-11-21-24-23(26(33)28-13-6-3-7-14-28)20(17-31)22(16-30(21)25(18)32)29(24)15-19-9-4-5-12-27-19/h2,4-5,8-12,20,22-24,31H,3,6-7,13-17H2,1H3/t20-,22-,23+,24+/m0/s1" ; chebi:inchikey "ARIBYWLZPORNAU-IQFVJIFQSA-N" ; chebi:mass "448.558" ; chebi:monoisotopicmass "448.24744" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4=CC=CC=N4)CN2C1=O)CO)C(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103264" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14608" . obo:CHEBI_103265 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H31N3O4" ; chebi:inchi "InChI=1S/C28H31N3O4/c1-2-5-18-10-11-23-24-21(15-30(23)26(18)33)22(16-32)25(31(24)27(34)19-8-9-19)28(35)29-13-12-17-6-3-4-7-20(17)14-29/h2-7,10-11,19,21-22,24-25,32H,8-9,12-16H2,1H3/t21-,22-,24+,25-/m1/s1" ; chebi:inchikey "KWDFMNKBUPRJCJ-YQIMAOPZSA-N" ; chebi:mass "473.564" ; chebi:monoisotopicmass "473.23146" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)C4CC4)C(=O)N5CCC6=CC=CC=C6C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103265" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14609" . obo:CHEBI_103266 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H32N6O4" ; chebi:inchi "InChI=1S/C26H32N6O4/c1-2-5-16-8-9-21-22-19(13-31(21)25(16)35)20(14-33)23(24(34)28-12-18-10-11-27-15-29-18)32(22)26(36)30-17-6-3-4-7-17/h2,5,8-11,15,17,19-20,22-23,33H,3-4,6-7,12-14H2,1H3,(H,28,34)(H,30,36)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "NIAAUHDJHRCSBO-YXPKMTABSA-N" ; chebi:mass "492.571" ; chebi:monoisotopicmass "492.24850" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)NC4CCCC4)C(=O)NCC5=NC=NC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103266" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14610" . obo:CHEBI_103267 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H35N3O3" ; chebi:inchi "InChI=1S/C24H35N3O3/c1-3-7-17-10-11-19-22-21(23(29)25-12-4-2)18(15-28)20(14-27(19)24(17)30)26(22)13-16-8-5-6-9-16/h3,7,10-11,16,18,20-22,28H,4-6,8-9,12-15H2,1-2H3,(H,25,29)/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "GKHQQRXCSHYBEI-VXSCBNMQSA-N" ; chebi:mass "413.554" ; chebi:monoisotopicmass "413.26784" ; chebi:smiles "CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1N2CC4CCCC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103267" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14611" . obo:CHEBI_103268 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H24F2N4O3S" ; chebi:inchi "InChI=1S/C25H24F2N4O3S/c1-2-3-14-4-7-20-21-17(12-30(20)24(14)34)18(13-32)22(23(33)29-25-28-8-9-35-25)31(21)11-15-10-16(26)5-6-19(15)27/h2-10,17-18,21-22,32H,11-13H2,1H3,(H,28,29,33)/t17-,18-,21+,22-/m0/s1" ; chebi:inchikey "ZDIAMMWGBAVDPO-HXHBTQRASA-N" ; chebi:mass "498.547" ; chebi:monoisotopicmass "498.15372" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CC4=C(C=CC(=C4)F)F)C(=O)NC5=NC=CS5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103268" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14612" . obo:CHEBI_103269 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H28FN5O3" ; chebi:inchi "InChI=1S/C27H28FN5O3/c1-2-3-19-6-9-23-24-21(14-32(23)27(19)36)22(15-34)25(33(24)13-18-10-29-16-30-11-18)26(35)31-12-17-4-7-20(28)8-5-17/h2-11,16,21-22,24-25,34H,12-15H2,1H3,(H,31,35)/t21-,22-,24+,25-/m1/s1" ; chebi:inchikey "LGAKJZSEUNBQTH-YQIMAOPZSA-N" ; chebi:mass "489.542" ; chebi:monoisotopicmass "489.21762" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CC4=CN=CN=C4)C(=O)NCC5=CC=C(C=C5)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103269" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14613" . obo:CHEBI_10327 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_29060 ; owl:deprecated true . obo:CHEBI_103270 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H31N3O3" ; chebi:inchi "InChI=1S/C26H31N3O3/c1-3-7-16-10-11-22-23-20(14-29(22)26(16)32)21(15-30)24(28(23)4-2)25(31)27-19-12-17-8-5-6-9-18(17)13-19/h3,5-11,19-21,23-24,30H,4,12-15H2,1-2H3,(H,27,31)/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "SKIOLEAINHAYRR-ZQRMPTRQSA-N" ; chebi:mass "433.544" ; chebi:monoisotopicmass "433.23654" ; chebi:smiles "CCN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C=CC)[C@@H]([C@H]1C(=O)NC4CC5=CC=CC=C5C4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103270" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14614" . obo:CHEBI_103271 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C26H29N3O7" ; chebi:inchi "InChI=1S/C26H29N3O7/c1-3-4-16-6-7-18-24-23(25(32)27-10-15-5-8-20-21(9-15)36-14-35-20)17(12-30)19(11-28(18)26(16)33)29(24)22(31)13-34-2/h3-9,17,19,23-24,30H,10-14H2,1-2H3,(H,27,32)/t17-,19-,23+,24+/m1/s1" ; chebi:inchikey "HQJXANMCBMUVFV-DQHAIFDPSA-N" ; chebi:mass "495.525" ; chebi:monoisotopicmass "495.20055" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)COC)CN2C1=O)CO)C(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103271" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14615" . obo:CHEBI_103272 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b268 rdf:type owl:Restriction . obo:CHEBI_103272 rdfs:subClassOf _:b268 . _:b268 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_103272 chebi:charge "0" ; chebi:formula "C23H25N3O5" ; chebi:inchi "InChI=1S/C23H25N3O5/c1-2-3-14-5-6-17-21-20(15(11-27)16(25-21)10-26(17)23(14)29)22(28)24-9-13-4-7-18-19(8-13)31-12-30-18/h2-8,15-16,20-21,25,27H,9-12H2,1H3,(H,24,28)/t15-,16-,20+,21+/m1/s1" ; chebi:inchikey "ZLAIHPPUWVVFMW-RFZJPIJTSA-N" ; chebi:mass "423.463" ; chebi:monoisotopicmass "423.17942" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3)CN2C1=O)CO)C(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103272" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14616" . obo:CHEBI_103273 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C26H35N5O5" ; chebi:inchi "InChI=1S/C26H35N5O5/c1-2-4-18-5-6-21-24-23(25(33)27-7-3-8-29-9-11-35-12-10-29)20(15-32)22(14-31(21)26(18)34)30(24)13-19-16-36-17-28-19/h2,4-6,16-17,20,22-24,32H,3,7-15H2,1H3,(H,27,33)/t20-,22-,23+,24+/m0/s1" ; chebi:inchikey "PCOBEWZBZDTQSP-IQFVJIFQSA-N" ; chebi:mass "497.588" ; chebi:monoisotopicmass "497.26382" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4=COC=N4)CN2C1=O)CO)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103273" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14617" . obo:CHEBI_103274 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H29N5O4" ; chebi:inchi "InChI=1S/C28H29N5O4/c1-3-7-19-10-11-23-24-20(15-32(23)27(19)36)21(16-34)25(33(24)28(37)22-14-29-12-13-30-22)26(35)31-17(2)18-8-5-4-6-9-18/h3-14,17,20-21,24-25,34H,15-16H2,1-2H3,(H,31,35)/t17-,20+,21+,24-,25+/m0/s1" ; chebi:inchikey "GAGDVGIWPFJCDU-DYMAAUEWSA-N" ; chebi:mass "499.562" ; chebi:monoisotopicmass "499.22195" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)C4=NC=CN=C4)C(=O)N[C@@H](C)C5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103274" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14618" . obo:CHEBI_103275 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H28ClN3O3" ; chebi:inchi "InChI=1S/C24H28ClN3O3/c1-3-6-16-9-10-19-22-21(23(30)26-4-2)18(14-29)20(13-28(19)24(16)31)27(22)12-15-7-5-8-17(25)11-15/h3,5-11,18,20-22,29H,4,12-14H2,1-2H3,(H,26,30)/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "MZSYIDBVYNJBAP-VXSCBNMQSA-N" ; chebi:mass "441.951" ; chebi:monoisotopicmass "441.18192" ; chebi:smiles "CCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1N2CC4=CC(=CC=C4)Cl)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103275" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14619" . obo:CHEBI_103276 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H31N3O4" ; chebi:inchi "InChI=1S/C30H31N3O4/c1-3-8-21-13-16-24-28-27(23(18-34)25(17-32(24)30(21)37)33(28)26(35)4-2)29(36)31-22-14-11-20(12-15-22)19-9-6-5-7-10-19/h3,5-16,23,25,27-28,34H,4,17-18H2,1-2H3,(H,31,36)/t23-,25-,27+,28+/m1/s1" ; chebi:inchikey "HNSAWDAWFZSFQJ-VXGLHPTQSA-N" ; chebi:mass "497.586" ; chebi:monoisotopicmass "497.23146" ; chebi:smiles "CCC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)NC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103276" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14620" . obo:CHEBI_103277 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-3-6-18-9-10-22-24-20(16-29(22)26(18)32)21(17-31)25(27(33)28-11-13-35-14-12-28)30(24)15-19-7-4-5-8-23(19)34-2/h3-10,20-21,24-25,31H,11-17H2,1-2H3/t20-,21-,24+,25-/m0/s1" ; chebi:inchikey "KLSOMJQHNGKNNV-MHOPESGUSA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CC4=CC=CC=C4OC)C(=O)N5CCOCC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103277" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14621" . obo:CHEBI_103278 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C25H28N4O4" ; chebi:inchi "InChI=1S/C25H28N4O4/c1-2-6-15-10-11-19-22-21(23(31)27-16-7-5-8-16)17(14-30)20(13-28(19)24(15)32)29(22)25(33)18-9-3-4-12-26-18/h2-4,6,9-12,16-17,20-22,30H,5,7-8,13-14H2,1H3,(H,27,31)/t17-,20-,21+,22+/m1/s1" ; chebi:inchikey "RQFILIGFJPUTQD-GFRNBQLOSA-N" ; chebi:mass "448.515" ; chebi:monoisotopicmass "448.21106" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C4=CC=CC=N4)CN2C1=O)CO)C(=O)NC5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103278" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14622" . obo:CHEBI_103279 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C22H28N4O4S" ; chebi:inchi "InChI=1S/C22H28N4O4S/c1-3-4-14-5-6-16-20-19(21(28)24-7-9-30-2)15(13-27)17(11-26(16)22(14)29)25(20)12-18-23-8-10-31-18/h3-6,8,10,15,17,19-20,27H,7,9,11-13H2,1-2H3,(H,24,28)/t15-,17-,19+,20+/m0/s1" ; chebi:inchikey "YAZSZKUPWYSKIW-SMMRIJLZSA-N" ; chebi:mass "444.549" ; chebi:monoisotopicmass "444.18313" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4=NC=CS4)CN2C1=O)CO)C(=O)NCCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103279" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14623" . obo:CHEBI_10328 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38922 ; chebi:charge "0" ; chebi:formula "C15H14O5" ; chebi:inchi "InChI=1S/C15H14O5/c1-17-12-10-8-6-4-5-7-9(8)20-13(10)15(19-3)14(18-2)11(12)16/h4-7,16H,1-3H3" ; chebi:inchikey "LZNMTWGKSPOPIR-UHFFFAOYSA-N" ; chebi:mass "274.269" ; chebi:monoisotopicmass "274.08412" ; chebi:smiles "COc1c(O)c(OC)c2c3ccccc3oc2c1OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10328" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-pyrufuran" . obo:CHEBI_103280 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H26N2O6S" ; chebi:inchi "InChI=1S/C23H26N2O6S/c1-4-6-15-9-10-18-21-20(23(28)31-3)17(13-26)19(12-24(18)22(15)27)25(21)32(29,30)16-8-5-7-14(2)11-16/h4-11,17,19-21,26H,12-13H2,1-3H3/t17-,19-,20+,21+/m1/s1" ; chebi:inchikey "JDXNLCPGROUHQS-PBASOCQRSA-N" ; chebi:mass "458.529" ; chebi:monoisotopicmass "458.15116" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3S(=O)(=O)C4=CC=CC(=C4)C)CN2C1=O)CO)C(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103280" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14624" . obo:CHEBI_103281 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H28ClN3O3" ; chebi:inchi "InChI=1S/C24H28ClN3O3/c1-3-7-15-10-11-20-21-17(13-27(20)24(15)31)18(14-29)22(23(30)26-4-2)28(21)12-16-8-5-6-9-19(16)25/h3,5-11,17-18,21-22,29H,4,12-14H2,1-2H3,(H,26,30)/t17-,18-,21+,22-/m0/s1" ; chebi:inchikey "FRGNTWRPDAOXEK-HXHBTQRASA-N" ; chebi:mass "441.951" ; chebi:monoisotopicmass "441.18192" ; chebi:smiles "CCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]2N1CC4=CC=CC=C4Cl)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103281" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14625" . obo:CHEBI_103282 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C19H25N3O3" ; chebi:inchi "InChI=1S/C19H25N3O3/c1-2-4-11-7-8-15-16-13(9-22(15)19(11)25)14(10-23)17(21-16)18(24)20-12-5-3-6-12/h2,4,7-8,12-14,16-17,21,23H,3,5-6,9-10H2,1H3,(H,20,24)/t13-,14-,16+,17-/m1/s1" ; chebi:inchikey "AQJORRFMBMOBOI-TXCZRRACSA-N" ; chebi:mass "343.421" ; chebi:monoisotopicmass "343.18959" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3)C(=O)NC4CCC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103282" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14626" . obo:CHEBI_103283 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C25H28N4O4" ; chebi:inchi "InChI=1S/C25H28N4O4/c1-2-6-15-10-11-19-22-21(23(31)27-16-7-5-8-16)17(14-30)20(13-28(19)24(15)32)29(22)25(33)18-9-3-4-12-26-18/h2-4,6,9-12,16-17,20-22,30H,5,7-8,13-14H2,1H3,(H,27,31)/t17-,20-,21+,22+/m0/s1" ; chebi:inchikey "RQFILIGFJPUTQD-GUGJDKNPSA-N" ; chebi:mass "448.515" ; chebi:monoisotopicmass "448.21106" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)C4=CC=CC=N4)CN2C1=O)CO)C(=O)NC5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103283" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14627" . obo:CHEBI_103284 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C24H28N2O4" ; chebi:inchi "InChI=1S/C24H28N2O4/c1-3-7-17-10-11-20-21-18(14-26(20)23(17)28)19(15-27)22(24(29)30-2)25(21)13-12-16-8-5-4-6-9-16/h3-11,18-19,21-22,27H,12-15H2,1-2H3/t18-,19-,21+,22-/m0/s1" ; chebi:inchikey "BOAJGZQCXTZFHN-MPJJRAAHSA-N" ; chebi:mass "408.491" ; chebi:monoisotopicmass "408.20491" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CCC4=CC=CC=C4)C(=O)OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103284" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14628" . obo:CHEBI_103285 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-3-5-15-8-9-19-20-17(12-26(19)23(15)29)18(13-27)21(25-20)22(28)24-11-14-6-4-7-16(10-14)30-2/h3-10,17-18,20-21,25,27H,11-13H2,1-2H3,(H,24,28)/t17-,18-,20+,21-/m1/s1" ; chebi:inchikey "NWTIRCSUWOGELC-RMVXJAJNSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3)C(=O)NCC4=CC(=CC=C4)OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103285" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14629" . obo:CHEBI_103286 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H31N3O4" ; chebi:inchi "InChI=1S/C30H31N3O4/c1-3-8-21-13-16-24-28-27(23(18-34)25(17-32(24)30(21)37)33(28)26(35)4-2)29(36)31-22-14-11-20(12-15-22)19-9-6-5-7-10-19/h3,5-16,23,25,27-28,34H,4,17-18H2,1-2H3,(H,31,36)/t23-,25-,27+,28+/m0/s1" ; chebi:inchikey "HNSAWDAWFZSFQJ-FRRISVFZSA-N" ; chebi:mass "497.586" ; chebi:monoisotopicmass "497.23146" ; chebi:smiles "CCC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)NC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103286" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14630" . obo:CHEBI_103287 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H33N5O4" ; chebi:inchi "InChI=1S/C26H33N5O4/c1-3-5-16-8-9-21-22-19(13-30(21)25(16)34)20(14-32)23(31(22)26(35)17-6-4-7-17)24(33)27-11-10-18-12-29(2)15-28-18/h3,5,8-9,12,15,17,19-20,22-23,32H,4,6-7,10-11,13-14H2,1-2H3,(H,27,33)/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "UQZMKBRPQWZRBW-RLBLXZPPSA-N" ; chebi:mass "479.572" ; chebi:monoisotopicmass "479.25325" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)C4CCC4)C(=O)NCCC5=CN(C=N5)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103287" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14631" . obo:CHEBI_103288 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H29N5O5S" ; chebi:inchi "InChI=1S/C23H29N5O5S/c1-3-5-14-8-9-17-21-20(22(30)25-15-6-4-7-15)16(12-29)18(10-27(17)23(14)31)28(21)34(32,33)19-11-26(2)13-24-19/h3,5,8-9,11,13,15-16,18,20-21,29H,4,6-7,10,12H2,1-2H3,(H,25,30)/t16-,18-,20+,21+/m1/s1" ; chebi:inchikey "FBXKHEMXYYDERF-LMQGHGSNSA-N" ; chebi:mass "487.574" ; chebi:monoisotopicmass "487.18894" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3S(=O)(=O)C4=CN(C=N4)C)CN2C1=O)CO)C(=O)NC5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103288" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14632" . obo:CHEBI_103289 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H23F3N4O4" ; chebi:inchi "InChI=1S/C23H23F3N4O4/c1-2-4-13-6-7-17-18-15(10-29(17)21(13)33)16(11-31)19(20(32)28-12-23(24,25)26)30(18)22(34)14-5-3-8-27-9-14/h2-9,15-16,18-19,31H,10-12H2,1H3,(H,28,32)/t15-,16-,18+,19-/m1/s1" ; chebi:inchikey "HTNUCZUVQLGPFO-ZAWLATJESA-N" ; chebi:mass "476.449" ; chebi:monoisotopicmass "476.16714" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)C4=CN=CC=C4)C(=O)NCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103289" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14633" . obo:CHEBI_10329 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23809 ; rdfs:subClassOf obo:CHEBI_47917 . _:b269 rdf:type owl:Restriction . obo:CHEBI_10329 rdfs:subClassOf _:b269 . _:b269 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_75771 . _:b270 rdf:type owl:Restriction . obo:CHEBI_10329 rdfs:subClassOf _:b270 . _:b270 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76971 . obo:CHEBI_10329 chebi:charge "0" ; chebi:formula "C14H18N2O4" ; chebi:inchi "InChI=1S/C14H18N2O4/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(19)12(18)11(5-17)20-14/h3-4,6,11-14,17-19H,5H2,1-2H3/t11-,12-,13-,14+/m1/s1" ; chebi:inchikey "HLRUKOJSWOKCPP-SYQHCUMBSA-N" ; chebi:mass "278.30380" ; chebi:monoisotopicmass "278.12666" ; chebi:smiles "Cc1cc2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2cc1C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10329" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-ribazole" . obo:CHEBI_103290 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H28N4O3S" ; chebi:inchi "InChI=1S/C23H28N4O3S/c1-2-3-15-6-7-18-20-16(11-26(18)23(15)30)17(13-28)21(22(29)25-10-14-4-5-14)27(20)12-19-24-8-9-31-19/h2-3,6-9,14,16-17,20-21,28H,4-5,10-13H2,1H3,(H,25,29)/t16-,17-,20+,21-/m0/s1" ; chebi:inchikey "LDJBNXGTZHCRNA-PZBISTMVSA-N" ; chebi:mass "440.560" ; chebi:monoisotopicmass "440.18821" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CC4=NC=CS4)C(=O)NCC5CC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103290" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14634" . obo:CHEBI_103291 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H30FN3O3" ; chebi:inchi "InChI=1S/C25H30FN3O3/c1-3-5-17-8-11-20-23-22(24(31)27-13-16-6-9-18(26)10-7-16)19(15-30)21(28(23)12-4-2)14-29(20)25(17)32/h3,5-11,19,21-23,30H,4,12-15H2,1-2H3,(H,27,31)/t19-,21-,22+,23+/m1/s1" ; chebi:inchikey "USKAOISCUCDLDP-LGKPFJOYSA-N" ; chebi:mass "439.523" ; chebi:monoisotopicmass "439.22712" ; chebi:smiles "CCCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)NCC4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103291" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14635" . obo:CHEBI_103292 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H28N4O3S" ; chebi:inchi "InChI=1S/C23H28N4O3S/c1-2-3-15-6-7-18-20-16(11-26(18)23(15)30)17(13-28)21(22(29)25-10-14-4-5-14)27(20)12-19-24-8-9-31-19/h2-3,6-9,14,16-17,20-21,28H,4-5,10-13H2,1H3,(H,25,29)/t16-,17-,20+,21-/m1/s1" ; chebi:inchikey "LDJBNXGTZHCRNA-SGLNWRHMSA-N" ; chebi:mass "440.560" ; chebi:monoisotopicmass "440.18821" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CC4=NC=CS4)C(=O)NCC5CC5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103292" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14636" . obo:CHEBI_103293 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C24H28N2O4" ; chebi:inchi "InChI=1S/C24H28N2O4/c1-3-7-17-10-11-20-21-18(14-26(20)23(17)28)19(15-27)22(24(29)30-2)25(21)13-12-16-8-5-4-6-9-16/h3-11,18-19,21-22,27H,12-15H2,1-2H3/t18-,19-,21+,22-/m1/s1" ; chebi:inchikey "BOAJGZQCXTZFHN-KRXUUXHPSA-N" ; chebi:mass "408.491" ; chebi:monoisotopicmass "408.20491" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CCC4=CC=CC=C4)C(=O)OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103293" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14637" . obo:CHEBI_103294 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H33N3O4" ; chebi:inchi "InChI=1S/C24H33N3O4/c1-3-7-17-10-11-19-22-21(23(30)25-12-16-8-5-4-6-9-16)18(14-28)20(27(22)15(2)29)13-26(19)24(17)31/h3,7,10-11,16,18,20-22,28H,4-6,8-9,12-14H2,1-2H3,(H,25,30)/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "NJGAJUNFGSSUAO-YJMBLLCNSA-N" ; chebi:mass "427.537" ; chebi:monoisotopicmass "427.24711" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C)CN2C1=O)CO)C(=O)NCC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103294" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14638" . obo:CHEBI_103295 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H31N3O3" ; chebi:inchi "InChI=1S/C25H31N3O3/c1-4-9-18-12-13-20-23-22(24(30)26-16(3)17-10-7-6-8-11-17)19(15-29)21(27(23)5-2)14-28(20)25(18)31/h4,6-13,16,19,21-23,29H,5,14-15H2,1-3H3,(H,26,30)/t16-,19-,21-,22+,23+/m1/s1" ; chebi:inchikey "ZMVMPHHWVOTKTD-OYOAKMGBSA-N" ; chebi:mass "421.533" ; chebi:monoisotopicmass "421.23654" ; chebi:smiles "CCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)N[C@H](C)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103295" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14639" . obo:CHEBI_103296 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H26F3N3O3" ; chebi:inchi "InChI=1S/C20H26F3N3O3/c1-4-5-12-6-7-15-16-13(10-26(15)18(12)28)14(11-27)17(19(29)24(2)3)25(16)9-8-20(21,22)23/h4-7,13-14,16-17,27H,8-11H2,1-3H3/t13-,14-,16+,17-/m1/s1" ; chebi:inchikey "VAVDPECDKRRSEN-TXCZRRACSA-N" ; chebi:mass "413.435" ; chebi:monoisotopicmass "413.19263" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CCC(F)(F)F)C(=O)N(C)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103296" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14640" . obo:CHEBI_103297 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H37N5O4" ; chebi:inchi "InChI=1S/C25H37N5O4/c1-4-7-17-8-9-20-21-18(14-29(20)24(17)33)19(15-31)22(30(21)25(34)27-16(2)3)23(32)26-10-13-28-11-5-6-12-28/h4,7-9,16,18-19,21-22,31H,5-6,10-15H2,1-3H3,(H,26,32)(H,27,34)/t18-,19-,21+,22-/m1/s1" ; chebi:inchikey "PNJNHSHUQBINAQ-KRXUUXHPSA-N" ; chebi:mass "471.593" ; chebi:monoisotopicmass "471.28455" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)NC(C)C)C(=O)NCCN4CCCC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103297" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14641" . obo:CHEBI_103298 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H29N5O5S" ; chebi:inchi "InChI=1S/C23H29N5O5S/c1-3-5-14-8-9-17-21-20(22(30)25-15-6-4-7-15)16(12-29)18(10-27(17)23(14)31)28(21)34(32,33)19-11-26(2)13-24-19/h3,5,8-9,11,13,15-16,18,20-21,29H,4,6-7,10,12H2,1-2H3,(H,25,30)/t16-,18-,20+,21+/m0/s1" ; chebi:inchikey "FBXKHEMXYYDERF-XIGKFDRGSA-N" ; chebi:mass "487.574" ; chebi:monoisotopicmass "487.18894" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3S(=O)(=O)C4=CN(C=N4)C)CN2C1=O)CO)C(=O)NC5CCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103298" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14642" . obo:CHEBI_103299 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H31N3O3" ; chebi:inchi "InChI=1S/C25H31N3O3/c1-4-9-18-12-13-20-23-22(24(30)26-16(3)17-10-7-6-8-11-17)19(15-29)21(27(23)5-2)14-28(20)25(18)31/h4,6-13,16,19,21-23,29H,5,14-15H2,1-3H3,(H,26,30)/t16-,19-,21-,22+,23+/m0/s1" ; chebi:inchikey "ZMVMPHHWVOTKTD-JWPNJBJBSA-N" ; chebi:mass "421.533" ; chebi:monoisotopicmass "421.23654" ; chebi:smiles "CCN1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)N[C@@H](C)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103299" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14643" . obo:CHEBI_1033 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16993 ; owl:deprecated true . obo:CHEBI_10330 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22912 ; rdfs:subClassOf obo:CHEBI_33911 ; chebi:charge "0" ; chebi:formula "C15H24O" ; chebi:inchi "InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-/t11-,12?,13?,14-,15+/m1/s1" ; chebi:inchikey "PDEQKAVEYSOLJX-BKKZDLJQSA-N" ; chebi:mass "220.35046" ; chebi:monoisotopicmass "220.18272" ; chebi:smiles "[H][C@]12CC3C(C1)[C@]3(C)[C@]2(C)CC\\C=C(\\C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10330" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-santalol" . obo:CHEBI_103300 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C27H33N3O4" ; chebi:inchi "InChI=1S/C27H33N3O4/c1-3-6-18-11-12-21-25-24(26(32)28-13-17-9-10-17)20(16-31)22(15-30(21)27(18)33)29(25)14-19-7-4-5-8-23(19)34-2/h3-8,11-12,17,20,22,24-25,31H,9-10,13-16H2,1-2H3,(H,28,32)/t20-,22-,24+,25+/m0/s1" ; chebi:inchikey "HTMWEZISYHEYGX-MMTHZHQFSA-N" ; chebi:mass "463.570" ; chebi:monoisotopicmass "463.24711" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4=CC=CC=C4OC)CN2C1=O)CO)C(=O)NCC5CC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103300" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14644" . obo:CHEBI_103301 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C27H33FN4O4" ; chebi:inchi "InChI=1S/C27H33FN4O4/c1-4-8-17-11-12-21-24-23(25(34)29-13-7-14-30(2)3)19(16-33)22(15-31(21)26(17)35)32(24)27(36)18-9-5-6-10-20(18)28/h4-6,8-12,19,22-24,33H,7,13-16H2,1-3H3,(H,29,34)/t19-,22-,23+,24+/m1/s1" ; chebi:inchikey "ZXRDMZYXGOPOHF-JFTIXFDTSA-N" ; chebi:mass "496.575" ; chebi:monoisotopicmass "496.24858" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C4=CC=CC=C4F)CN2C1=O)CO)C(=O)NCCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103301" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14645" . obo:CHEBI_103302 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C26H32N4O3" ; chebi:inchi "InChI=1S/C26H32N4O3/c1-2-8-18-10-11-21-24-23(26(33)28-13-6-3-7-14-28)20(17-31)22(16-30(21)25(18)32)29(24)15-19-9-4-5-12-27-19/h2,4-5,8-12,20,22-24,31H,3,6-7,13-17H2,1H3/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "ARIBYWLZPORNAU-AZOUXBGGSA-N" ; chebi:mass "448.558" ; chebi:monoisotopicmass "448.24744" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CC4=CC=CC=N4)CN2C1=O)CO)C(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103302" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14646" . obo:CHEBI_103303 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C25H31N3O3" ; chebi:inchi "InChI=1S/C25H31N3O3/c1-4-8-18-11-12-20-23-22(25(31)26(2)3)19(16-29)21(15-28(20)24(18)30)27(23)14-13-17-9-6-5-7-10-17/h4-12,19,21-23,29H,13-16H2,1-3H3/t19-,21-,22+,23+/m0/s1" ; chebi:inchikey "IMLNKYQDLHUNSC-KZKAQZJJSA-N" ; chebi:mass "421.533" ; chebi:monoisotopicmass "421.23654" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CCC4=CC=CC=C4)CN2C1=O)CO)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103303" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14647" . obo:CHEBI_103304 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H33N3O4" ; chebi:inchi "InChI=1S/C24H33N3O4/c1-3-7-17-10-11-19-22-21(23(30)25-12-16-8-5-4-6-9-16)18(14-28)20(27(22)15(2)29)13-26(19)24(17)31/h3,7,10-11,16,18,20-22,28H,4-6,8-9,12-14H2,1-2H3,(H,25,30)/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "NJGAJUNFGSSUAO-VXSCBNMQSA-N" ; chebi:mass "427.537" ; chebi:monoisotopicmass "427.24711" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)C)CN2C1=O)CO)C(=O)NCC4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103304" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14648" . obo:CHEBI_103305 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C27H33FN4O4" ; chebi:inchi "InChI=1S/C27H33FN4O4/c1-4-8-17-11-12-21-24-23(25(34)29-13-7-14-30(2)3)19(16-33)22(15-31(21)26(17)35)32(24)27(36)18-9-5-6-10-20(18)28/h4-6,8-12,19,22-24,33H,7,13-16H2,1-3H3,(H,29,34)/t19-,22-,23+,24+/m0/s1" ; chebi:inchikey "ZXRDMZYXGOPOHF-ZMUKGBGYSA-N" ; chebi:mass "496.575" ; chebi:monoisotopicmass "496.24858" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)C4=CC=CC=C4F)CN2C1=O)CO)C(=O)NCCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103305" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14649" . obo:CHEBI_103306 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H26ClN3O5S" ; chebi:inchi "InChI=1S/C23H26ClN3O5S/c1-3-6-14-9-10-19-20-16(12-26(19)23(14)30)17(13-28)21(27(20)33(2,31)32)22(29)25-11-15-7-4-5-8-18(15)24/h3-10,16-17,20-21,28H,11-13H2,1-2H3,(H,25,29)/t16-,17-,20+,21-/m0/s1" ; chebi:inchikey "GLXDGGACPBJUPS-PZBISTMVSA-N" ; chebi:mass "491.990" ; chebi:monoisotopicmass "491.12817" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3S(=O)(=O)C)C(=O)NCC4=CC=CC=C4Cl)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103306" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14650" . obo:CHEBI_103307 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H37N5O4" ; chebi:inchi "InChI=1S/C25H37N5O4/c1-4-7-17-8-9-20-21-18(14-29(20)24(17)33)19(15-31)22(30(21)25(34)27-16(2)3)23(32)26-10-13-28-11-5-6-12-28/h4,7-9,16,18-19,21-22,31H,5-6,10-15H2,1-3H3,(H,26,32)(H,27,34)/t18-,19-,21+,22-/m0/s1" ; chebi:inchikey "PNJNHSHUQBINAQ-MPJJRAAHSA-N" ; chebi:mass "471.593" ; chebi:monoisotopicmass "471.28455" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)NC(C)C)C(=O)NCCN4CCCC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103307" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14651" . obo:CHEBI_103308 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H29F3N4O3" ; chebi:inchi "InChI=1S/C25H29F3N4O3/c1-2-3-17-4-5-19-22-21(23(34)30-12-8-16-6-10-29-11-7-16)18(15-33)20(14-32(19)24(17)35)31(22)13-9-25(26,27)28/h2-7,10-11,18,20-22,33H,8-9,12-15H2,1H3,(H,30,34)/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "GMFBTTQFVVUQAX-YJMBLLCNSA-N" ; chebi:mass "490.519" ; chebi:monoisotopicmass "490.21918" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CCC(F)(F)F)CN2C1=O)CO)C(=O)NCCC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103308" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14652" . obo:CHEBI_103309 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-2-7-16-10-11-19-22-21(25(32)26-12-4-3-5-13-26)18(15-29)20(14-27(19)23(16)30)28(22)24(31)17-8-6-9-17/h2,7,10-11,17-18,20-22,29H,3-6,8-9,12-15H2,1H3/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "RGMNVADEAWNQHQ-VXSCBNMQSA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)C4CCC4)CN2C1=O)CO)C(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103309" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14653" . obo:CHEBI_10331 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16363 ; owl:deprecated true . obo:CHEBI_103310 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C26H31N3O3" ; chebi:inchi "InChI=1S/C26H31N3O3/c1-3-7-18-10-11-21-24-23(20(16-30)22(28(24)4-2)15-29(21)25(18)31)26(32)27-13-12-17-8-5-6-9-19(17)14-27/h3,5-11,20,22-24,30H,4,12-16H2,1-2H3/t20-,22-,23+,24+/m0/s1" ; chebi:inchikey "SCCGZMIGIRUPAJ-IQFVJIFQSA-N" ; chebi:mass "433.544" ; chebi:monoisotopicmass "433.23654" ; chebi:smiles "CCN1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103310" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14654" . obo:CHEBI_103311 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-2-7-16-10-11-19-22-21(25(32)26-12-4-3-5-13-26)18(15-29)20(14-27(19)23(16)30)28(22)24(31)17-8-6-9-17/h2,7,10-11,17-18,20-22,29H,3-6,8-9,12-15H2,1H3/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "RGMNVADEAWNQHQ-YJMBLLCNSA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C4CCC4)CN2C1=O)CO)C(=O)N5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103311" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14655" . obo:CHEBI_103312 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C25H31N3O3" ; chebi:inchi "InChI=1S/C25H31N3O3/c1-4-8-18-11-12-20-23-22(25(31)26(2)3)19(16-29)21(15-28(20)24(18)30)27(23)14-13-17-9-6-5-7-10-17/h4-12,19,21-23,29H,13-16H2,1-3H3/t19-,21-,22+,23+/m1/s1" ; chebi:inchikey "IMLNKYQDLHUNSC-LGKPFJOYSA-N" ; chebi:mass "421.533" ; chebi:monoisotopicmass "421.23654" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CCC4=CC=CC=C4)CN2C1=O)CO)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103312" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14656" . obo:CHEBI_103313 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H28N4O4" ; chebi:inchi "InChI=1S/C22H28N4O4/c1-3-5-14-6-7-18-19-16(10-25(18)22(14)29)17(11-27)20(21(28)23-8-4-2)26(19)9-15-12-30-13-24-15/h3,5-7,12-13,16-17,19-20,27H,4,8-11H2,1-2H3,(H,23,28)/t16-,17-,19+,20-/m0/s1" ; chebi:inchikey "UIYBGHYPRRSBHH-XEYPJELSSA-N" ; chebi:mass "412.483" ; chebi:monoisotopicmass "412.21106" ; chebi:smiles "CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]2N1CC4=COC=N4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103313" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14657" . obo:CHEBI_103314 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H35N3O3" ; chebi:inchi "InChI=1S/C28H35N3O3/c1-3-7-21-10-11-24-25-22(17-31(24)27(21)33)23(18-32)26(29(25)2)28(34)30-14-12-20(13-15-30)16-19-8-5-4-6-9-19/h3-11,20,22-23,25-26,32H,12-18H2,1-2H3/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "NDQSGMPNQQNYJD-LJCOXQHRSA-N" ; chebi:mass "461.597" ; chebi:monoisotopicmass "461.26784" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C)C(=O)N4CCC(CC4)CC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103314" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14658" . obo:CHEBI_103315 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H35N3O3" ; chebi:inchi "InChI=1S/C28H35N3O3/c1-3-7-21-10-11-24-25-22(17-31(24)27(21)33)23(18-32)26(29(25)2)28(34)30-14-12-20(13-15-30)16-19-8-5-4-6-9-19/h3-11,20,22-23,25-26,32H,12-18H2,1-2H3/t22-,23-,25+,26-/m1/s1" ; chebi:inchikey "NDQSGMPNQQNYJD-VHCQPULKSA-N" ; chebi:mass "461.597" ; chebi:monoisotopicmass "461.26784" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C)C(=O)N4CCC(CC4)CC5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103315" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14659" . obo:CHEBI_103316 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C26H31N3O3" ; chebi:inchi "InChI=1S/C26H31N3O3/c1-3-7-18-10-11-21-24-23(20(16-30)22(28(24)4-2)15-29(21)25(18)31)26(32)27-13-12-17-8-5-6-9-19(17)14-27/h3,5-11,20,22-24,30H,4,12-16H2,1-2H3/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "SCCGZMIGIRUPAJ-AZOUXBGGSA-N" ; chebi:mass "433.544" ; chebi:monoisotopicmass "433.23654" ; chebi:smiles "CCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103316" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14660" . obo:CHEBI_103317 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H30FN3O3" ; chebi:inchi "InChI=1S/C25H30FN3O3/c1-3-5-17-8-11-20-23-22(24(31)27-13-16-6-9-18(26)10-7-16)19(15-30)21(28(23)12-4-2)14-29(20)25(17)32/h3,5-11,19,21-23,30H,4,12-15H2,1-2H3,(H,27,31)/t19-,21-,22+,23+/m0/s1" ; chebi:inchikey "USKAOISCUCDLDP-KZKAQZJJSA-N" ; chebi:mass "439.523" ; chebi:monoisotopicmass "439.22712" ; chebi:smiles "CCCN1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103317" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14661" . obo:CHEBI_103318 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H29F3N4O3" ; chebi:inchi "InChI=1S/C25H29F3N4O3/c1-2-3-17-4-5-19-22-21(23(34)30-12-8-16-6-10-29-11-7-16)18(15-33)20(14-32(19)24(17)35)31(22)13-9-25(26,27)28/h2-7,10-11,18,20-22,33H,8-9,12-15H2,1H3,(H,30,34)/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "GMFBTTQFVVUQAX-VXSCBNMQSA-N" ; chebi:mass "490.519" ; chebi:monoisotopicmass "490.21918" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CCC(F)(F)F)CN2C1=O)CO)C(=O)NCCC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103318" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14662" . obo:CHEBI_103319 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-3-5-15-8-9-19-20-17(12-26(19)23(15)29)18(13-27)21(25-20)22(28)24-11-14-6-4-7-16(10-14)30-2/h3-10,17-18,20-21,25,27H,11-13H2,1-2H3,(H,24,28)/t17-,18-,20+,21-/m0/s1" ; chebi:inchikey "NWTIRCSUWOGELC-MMKMLUHNSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3)C(=O)NCC4=CC(=CC=C4)OC)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103319" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14663" . obo:CHEBI_10332 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H22O" ; chebi:inchi "InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+" ; chebi:inchikey "PFSTYGCNVAVZBK-JQGMZEBDSA-N" ; chebi:mass "218.335" ; chebi:monoisotopicmass "218.16707" ; chebi:smiles "C\\C(CC\\C=C(/C)C=O)=C/C\\C=C(/C)C=C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10332" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Sinensal" . obo:CHEBI_103320 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H28FN5O3" ; chebi:inchi "InChI=1S/C27H28FN5O3/c1-2-3-19-6-9-23-24-21(14-32(23)27(19)36)22(15-34)25(33(24)13-18-10-29-16-30-11-18)26(35)31-12-17-4-7-20(28)8-5-17/h2-11,16,21-22,24-25,34H,12-15H2,1H3,(H,31,35)/t21-,22-,24+,25-/m0/s1" ; chebi:inchikey "LGAKJZSEUNBQTH-HFOXQMJASA-N" ; chebi:mass "489.542" ; chebi:monoisotopicmass "489.21762" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CC4=CN=CN=C4)C(=O)NCC5=CC=C(C=C5)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103320" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14664" . obo:CHEBI_103321 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H25F2N3O5S" ; chebi:inchi "InChI=1S/C23H25F2N3O5S/c1-3-4-14-5-6-18-21-20(22(30)26-10-13-7-15(24)9-16(25)8-13)17(12-29)19(11-27(18)23(14)31)28(21)34(2,32)33/h3-9,17,19-21,29H,10-12H2,1-2H3,(H,26,30)/t17-,19-,20+,21+/m1/s1" ; chebi:inchikey "GJMSSMVDMJSJLU-PBASOCQRSA-N" ; chebi:mass "493.525" ; chebi:monoisotopicmass "493.14830" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3S(=O)(=O)C)CN2C1=O)CO)C(=O)NCC4=CC(=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103321" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14665" . obo:CHEBI_103322 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H31N3O4" ; chebi:inchi "InChI=1S/C28H31N3O4/c1-2-5-18-10-11-23-24-21(15-30(23)26(18)33)22(16-32)25(31(24)27(34)19-8-9-19)28(35)29-13-12-17-6-3-4-7-20(17)14-29/h2-7,10-11,19,21-22,24-25,32H,8-9,12-16H2,1H3/t21-,22-,24+,25-/m0/s1" ; chebi:inchikey "KWDFMNKBUPRJCJ-HFOXQMJASA-N" ; chebi:mass "473.564" ; chebi:monoisotopicmass "473.23146" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)C4CC4)C(=O)N5CCC6=CC=CC=C6C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103322" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14666" . obo:CHEBI_103323 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H29N5O4" ; chebi:inchi "InChI=1S/C28H29N5O4/c1-3-7-19-10-11-23-24-20(15-32(23)27(19)36)21(16-34)25(33(24)28(37)22-14-29-12-13-30-22)26(35)31-17(2)18-8-5-4-6-9-18/h3-14,17,20-21,24-25,34H,15-16H2,1-2H3,(H,31,35)/t17-,20+,21+,24-,25+/m1/s1" ; chebi:inchikey "GAGDVGIWPFJCDU-SBFQEZKYSA-N" ; chebi:mass "499.562" ; chebi:monoisotopicmass "499.22195" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)C4=NC=CN=C4)C(=O)N[C@H](C)C5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103323" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14667" . obo:CHEBI_103324 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H31N3O3" ; chebi:inchi "InChI=1S/C25H31N3O3/c1-4-9-18-12-13-20-23-22(24(30)26-16(3)17-10-7-6-8-11-17)19(15-29)21(27(23)5-2)14-28(20)25(18)31/h4,6-13,16,19,21-23,29H,5,14-15H2,1-3H3,(H,26,30)/t16-,19+,21+,22-,23-/m0/s1" ; chebi:inchikey "ZMVMPHHWVOTKTD-PFDGEDQDSA-N" ; chebi:mass "421.533" ; chebi:monoisotopicmass "421.23654" ; chebi:smiles "CCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)N[C@@H](C)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103324" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14668" . obo:CHEBI_103325 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H26FN3O4" ; chebi:inchi "InChI=1S/C24H26FN3O4/c1-4-5-14-8-11-18-21-20(24(32)26(2)3)17(13-29)19(12-27(18)22(14)30)28(21)23(31)15-6-9-16(25)10-7-15/h4-11,17,19-21,29H,12-13H2,1-3H3/t17-,19-,20+,21+/m1/s1" ; chebi:inchikey "QHTBDTJLVQLHTQ-PBASOCQRSA-N" ; chebi:mass "439.480" ; chebi:monoisotopicmass "439.19073" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C4=CC=C(C=C4)F)CN2C1=O)CO)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103325" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14669" . obo:CHEBI_103326 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H31N5O4" ; chebi:inchi "InChI=1S/C24H31N5O4/c1-4-6-15-7-8-18-22-21(23(32)25-10-9-16-11-27(3)14-26-16)17(13-30)19(12-28(18)24(15)33)29(22)20(31)5-2/h4,6-8,11,14,17,19,21-22,30H,5,9-10,12-13H2,1-3H3,(H,25,32)/t17-,19-,21+,22+/m0/s1" ; chebi:inchikey "VOGACUDSELLWLB-HVJHZFLKSA-N" ; chebi:mass "453.535" ; chebi:monoisotopicmass "453.23760" ; chebi:smiles "CCC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCCC4=CN(C=N4)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103326" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14670" . obo:CHEBI_103327 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C22H28N4O4S" ; chebi:inchi "InChI=1S/C22H28N4O4S/c1-3-4-14-5-6-16-20-19(21(28)24-7-9-30-2)15(13-27)17(11-26(16)22(14)29)25(20)12-18-23-8-10-31-18/h3-6,8,10,15,17,19-20,27H,7,9,11-13H2,1-2H3,(H,24,28)/t15-,17-,19+,20+/m1/s1" ; chebi:inchikey "YAZSZKUPWYSKIW-BEKAIBRUSA-N" ; chebi:mass "444.549" ; chebi:monoisotopicmass "444.18313" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CC4=NC=CS4)CN2C1=O)CO)C(=O)NCCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103327" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14671" . obo:CHEBI_103328 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H28ClN3O3" ; chebi:inchi "InChI=1S/C24H28ClN3O3/c1-3-7-15-10-11-20-21-17(13-27(20)24(15)31)18(14-29)22(23(30)26-4-2)28(21)12-16-8-5-6-9-19(16)25/h3,5-11,17-18,21-22,29H,4,12-14H2,1-2H3,(H,26,30)/t17-,18-,21+,22-/m1/s1" ; chebi:inchikey "FRGNTWRPDAOXEK-RPHTVSPISA-N" ; chebi:mass "441.951" ; chebi:monoisotopicmass "441.18192" ; chebi:smiles "CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]2N1CC4=CC=CC=C4Cl)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103328" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14672" . obo:CHEBI_103329 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33575 ; rdfs:subClassOf obo:CHEBI_46767 ; chebi:charge "0" ; chebi:formula "C22H30N2O5" ; chebi:inchi "InChI=1S/C22H30N2O5/c1-3-4-15-5-6-17-20-19(22(27)28-2)16(13-25)18(12-24(17)21(15)26)23(20)11-14-7-9-29-10-8-14/h3-6,14,16,18-20,25H,7-13H2,1-2H3/t16-,18-,19+,20+/m0/s1" ; chebi:inchikey "YYKXHGZVSNLVER-IJXRJRJASA-N" ; chebi:mass "402.485" ; chebi:monoisotopicmass "402.21547" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4CCOCC4)CN2C1=O)CO)C(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103329" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14673" . obo:CHEBI_10333 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35341 . _:b271 rdf:type owl:Restriction . obo:CHEBI_10333 rdfs:subClassOf _:b271 . _:b271 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_26773 . obo:CHEBI_10333 chebi:charge "0" ; chebi:formula "C29H48O" ; chebi:inchi "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1" ; chebi:inchikey "JZVFJDZBLUFKCA-FXIAWGAOSA-N" ; chebi:mass "412.692" ; chebi:monoisotopicmass "412.37052" ; chebi:smiles "CC[C@@H](C(C)C)\\C=C\\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10333" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Spinasterol" . obo:CHEBI_103330 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H21FN2O6S" ; chebi:inchi "InChI=1S/C21H21FN2O6S/c1-2-5-12-8-9-15-19-18(21(27)28)13(11-25)16(10-23(15)20(12)26)24(19)31(29,30)17-7-4-3-6-14(17)22/h2-9,13,16,18-19,25H,10-11H2,1H3,(H,27,28)/t13-,16-,18+,19+/m0/s1" ; chebi:inchikey "YSPVRUAWSOLRRU-PTKHLAPESA-N" ; chebi:mass "448.467" ; chebi:monoisotopicmass "448.11044" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3S(=O)(=O)C4=CC=CC=C4F)CN2C1=O)CO)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103330" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14674" . obo:CHEBI_103331 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23+,27-/m0/s1" ; chebi:inchikey "HPPNONYMLIWSNI-MTPWMDRRSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103331" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103332 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O5" ; chebi:inchi "InChI=1S/C29H50N4O5/c1-8-14-32(7)18-27-21(4)17-33(22(5)19-34)28(35)25-16-24(31-29(36)30-20(2)3)12-13-26(25)38-23(6)11-9-10-15-37-27/h12-13,16,20-23,27,34H,8-11,14-15,17-19H2,1-7H3,(H2,30,31,36)/t21-,22-,23+,27-/m0/s1" ; chebi:inchikey "OXLKGXSDHBDOHC-TZKYFUQOSA-N" ; chebi:mass "534.732" ; chebi:monoisotopicmass "534.37812" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103332" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103333 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25+,30-/m1/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-UBRKHCEVSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103333" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103334 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26+,32+/m0/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-KYFCECMNSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103334" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103335 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22+,26-/m1/s1" ; chebi:inchikey "NPRRWKGRZALGNG-FYBXHKAZSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103335" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103336 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26+,32-/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-XDMKPEOCSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103336" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103337 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22+,26+/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-QILISPFLSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103337" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103338 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22-,23+,29-/m1/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-LDIMMVFUSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103338" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103339 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-SODQHWRNSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103339" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_10334 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35187 . _:b272 rdf:type owl:Restriction . obo:CHEBI_10334 rdfs:subClassOf _:b272 . _:b272 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_27311 . _:b273 rdf:type owl:Restriction . obo:CHEBI_10334 rdfs:subClassOf _:b273 . _:b273 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . obo:CHEBI_10334 obo:IAO_0000115 "One of three isomeric monoterpenes differing in the positions of their two double bonds (beta- and gamma-terpinene being the others). In alpha-terpinene the double bonds are at the 1- and 3-positions of the p-menthane skeleton." ; chebi:charge "0" ; chebi:formula "C10H16" ; chebi:inchi "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3" ; chebi:inchikey "YHQGMYUVUMAZJR-UHFFFAOYSA-N" ; chebi:mass "136.23404" ; chebi:monoisotopicmass "136.12520" ; chebi:smiles "CC(C)C1=CC=C(C)CC1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10334" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-terpinene" . obo:CHEBI_103340 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O5" ; chebi:inchi "InChI=1S/C35H42N4O5/c1-23-19-39(24(2)21-40)34(41)33-32(29-12-8-9-13-30(29)38(33)4)28-11-7-6-10-26(28)22-44-31(23)20-37(3)35(42)36-18-25-14-16-27(43-5)17-15-25/h6-17,23-24,31,40H,18-22H2,1-5H3,(H,36,42)/t23-,24-,31+/m1/s1" ; chebi:inchikey "GHOSBDATJBJZOG-GQIGMWPISA-N" ; chebi:mass "598.733" ; chebi:monoisotopicmass "598.31552" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103340" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14684" . obo:CHEBI_103341 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22-,23-,27-/m1/s1" ; chebi:inchikey "HPPNONYMLIWSNI-DVAKJLRASA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103341" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103342 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22-,23-,29+/m0/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-FSDPBTBWSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103342" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103343 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H23F2N3O6" ; chebi:inchi "InChI=1S/C23H23F2N3O6/c24-14-2-4-16(25)18(8-14)28-23(31)27-17-5-3-15(34-21(17)11-29)9-22(30)26-10-13-1-6-19-20(7-13)33-12-32-19/h1-8,15,17,21,29H,9-12H2,(H,26,30)(H2,27,28,31)/t15-,17+,21+/m1/s1" ; chebi:inchikey "VZUMNNKKGVSTKF-KUDFPVQQSA-N" ; chebi:mass "475.443" ; chebi:monoisotopicmass "475.15549" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)CNC(=O)C[C@H]3C=C[C@@H]([C@@H](O3)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103343" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,3S,6S)-3-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_103344 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-RZDWVWPCSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103344" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103345 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22+,26+/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-CQAGSAPUSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103345" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103346 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22+,26-/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-FYBXHKAZSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103346" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103347 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30+/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-GBRARVNLSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103347" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103348 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27+,33-/m1/s1" ; chebi:inchikey "LMYACBAJSFEPOG-JIXXDEQJSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103348" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103349 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20-,21+,25-/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-NAZDKBRTSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103349" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_10335 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50077 ; chebi:charge "0" ; chebi:formula "C12H8S3" ; chebi:inchi "InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H" ; chebi:inchikey "KXSFECAJUBPPFE-UHFFFAOYSA-N" ; chebi:mass "248.38992" ; chebi:monoisotopicmass "247.97881" ; chebi:smiles "c1csc(c1)-c1ccc(s1)-c1cccs1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10335" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "2,2':5',2''-terthiophene" . obo:CHEBI_103350 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22+,29-/m1/s1" ; chebi:inchikey "GTRXSASKUSVSHJ-UETOGOEVSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103350" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14694" . obo:CHEBI_103351 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26-,31-/m0/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-XZSHTLEFSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103351" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103352 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22-,26+/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-OYSWMMLKSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103352" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103353 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26-,32-/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-WRZBRUQPSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103353" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103354 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25-,30+/m1/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-ZXPXOXBPSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103354" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103355 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21+,25-/m0/s1" ; chebi:inchikey "ULMVXXWMSACXHE-SMTRIPRVSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103355" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103356 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19-,20-,24+/m1/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-FIXDAVPBSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103356" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103357 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27+,33-/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-HYHRRZRMSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103357" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103358 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22-,26-/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-YGWSKSRPSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103358" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103359 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24+,25-,29-/m1/s1" ; chebi:inchikey "AIBBTECRVWULHH-MNGFJMBLSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103359" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_10336 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18145 ; owl:deprecated true . obo:CHEBI_103360 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27-,33-/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-KIAQLKRMSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103360" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103361 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22+,23-,29+/m1/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-MBWUYLOXSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103361" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103362 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24-,25+,30-/m0/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-INVAMZEASA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103362" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103363 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30+/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-ZRIOWSNCSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103363" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103364 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22+,26+/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-AVJFOWIRSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103364" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103365 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22-,26-/m1/s1" ; chebi:inchikey "NPRRWKGRZALGNG-UXGLMHHASA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103365" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103366 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O5" ; chebi:inchi "InChI=1S/C29H50N4O5/c1-8-14-32(7)18-27-21(4)17-33(22(5)19-34)28(35)25-16-24(31-29(36)30-20(2)3)12-13-26(25)38-23(6)11-9-10-15-37-27/h12-13,16,20-23,27,34H,8-11,14-15,17-19H2,1-7H3,(H2,30,31,36)/t21-,22+,23+,27-/m0/s1" ; chebi:inchikey "OXLKGXSDHBDOHC-MTPWMDRRSA-N" ; chebi:mass "534.732" ; chebi:monoisotopicmass "534.37812" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103366" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103367 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22-,26+/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-IMIIHFCZSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103367" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103368 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26+,32+/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-UJFVLINRSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103368" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103369 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20-,24+/m0/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-CMCWBKRRSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103369" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103370 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25+,30-/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-INVAMZEASA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103370" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103371 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25-,26+,31-/m1/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-ZGQJUUMOSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103371" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103372 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25-,26-,31-/m1/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-YSRRZRNESA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103372" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103373 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22-,26+/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-BILGYAHESA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103373" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103374 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25+,30-/m0/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-RPQPUBLWSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103374" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103375 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25+,30+/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-DUXAABNJSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103375" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103376 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23-,24+,29+/m1/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-CHCBTGSZSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103376" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103377 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25+,30-/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-RPQPUBLWSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103377" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103378 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26-,31-/m1/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-FVCFNFBRSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103378" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103379 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21-,22-,26-/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-YGWSKSRPSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103379" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103380 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22-,26-/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-UXGLMHHASA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103380" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103381 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27+,33-/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-JIXXDEQJSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103381" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103382 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21-,25+/m1/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-QDMVCWPOSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103382" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103383 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25-,26-,31+/m0/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-WJQRCLFPSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103383" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103384 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22+,26+/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-AVJFOWIRSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103384" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103385 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23+,27-/m1/s1" ; chebi:inchikey "HPPNONYMLIWSNI-GRSOWLQASA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103385" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103386 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-YDXRHMNESA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103386" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103387 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27+,33+/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-XJVVAVADSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103387" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103388 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22+,26-/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-ZUVQJFRASA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103388" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103389 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23-,24+,29-/m1/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-IDCDSMMUSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103389" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_10339 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H22O" ; chebi:inchi "InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11H,5-7,9H2,1-4H3/t11-,15+/m1/s1" ; chebi:inchikey "NIIPDXITZPFFTE-ABAIWWIYSA-N" ; chebi:mass "218.335" ; chebi:monoisotopicmass "218.16707" ; chebi:smiles "C[C@@H]1CC(=O)C=C2CCC(C[C@@]12C)=C(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10339" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Vetivone" . obo:CHEBI_103390 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26+,31-/m0/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-PXFJVXAFSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103390" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103391 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22+,26+/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-QILISPFLSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103391" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103392 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26-,32-/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-VUKRRIEASA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103392" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103393 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22-,23+,29+/m1/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-NBOGMJGSSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103393" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103394 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26+,32+/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-XPZOENDESA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103394" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103395 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25-,30+/m1/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-GBRARVNLSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103395" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103396 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23-,24-,29+/m1/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-XTGAJNFRSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103396" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103397 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23-,27+/m1/s1" ; chebi:inchikey "HPPNONYMLIWSNI-IDIXZGLXSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103397" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103398 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-YDXRHMNESA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103398" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103399 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19-,20-,24-/m0/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-XHOYROJHSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103399" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_1034 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17077 ; owl:deprecated true . obo:CHEBI_103400 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22+,26-/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-FYBXHKAZSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103400" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103401 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22-,26-/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-PIXQIBFHSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103401" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103402 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21+,25+/m1/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-VWEIPLKFSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103402" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103403 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20-,21-,25+/m0/s1" ; chebi:inchikey "ULMVXXWMSACXHE-AIFLQVKLSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103403" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103404 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30+/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-ZQIPMTRKSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103404" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103405 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20-,21-,25+/m1/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-YCFYUYSTSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103405" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103406 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24+,25-,29+/m0/s1" ; chebi:inchikey "AIBBTECRVWULHH-APSVEGKFSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103406" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103407 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30-/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-ZASNTINBSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103407" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103408 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23-,24+,29-/m0/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-OODISRMCSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103408" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103409 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22-,26-/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-MSZDEVHKSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103409" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_10341 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11?,12?,13?,14?,15-/m0/s1" ; chebi:inchikey "VLXDPFLIRFYIME-MWHZVNNOSA-N" ; chebi:mass "204.352" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "CC(C)C1CC[C@@]2(C)C3CC=C(C)C2C13" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10341" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Ylangene" . obo:CHEBI_103410 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26+,32-/m0/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-ZQIYOYMASA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103410" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103411 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30+/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-ZRIOWSNCSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103411" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103412 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-FJRSXGRASA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103412" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103413 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26-,31+/m1/s1" ; chebi:inchikey "JEEWDARUSPNTGW-ANKKVJNISA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103413" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103414 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22-,23-,27+/m0/s1" ; chebi:inchikey "HPPNONYMLIWSNI-RNLGNXJRSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103414" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103415 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-RZDWVWPCSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103415" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103416 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26-,31-/m1/s1" ; chebi:inchikey "JEEWDARUSPNTGW-FVCFNFBRSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103416" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103417 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-YDXRHMNESA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103417" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103418 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25+,26-,31-/m0/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-XZSHTLEFSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103418" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103419 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22+,26-/m0/s1" ; chebi:inchikey "KNZOATPLJIEOET-IFOBJOEFSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103419" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103420 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22+,23+,29+/m1/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-NXRFZHLESA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103420" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103421 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25-,26-,31+/m1/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-KUXNCQQFSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103421" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103422 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-SODQHWRNSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103422" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103423 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H25ClFN3O5S" ; chebi:inchi "InChI=1S/C21H25ClFN3O5S/c22-14-3-1-6-18(11-14)32(29,30)24-10-9-17-7-8-19(20(13-27)31-17)26-21(28)25-16-5-2-4-15(23)12-16/h1-6,11-12,17,19-20,24,27H,7-10,13H2,(H2,25,26,28)/t17-,19+,20+/m1/s1" ; chebi:inchikey "FXPAFMKRDBMTQM-HOJAQTOUSA-N" ; chebi:mass "485.959" ; chebi:monoisotopicmass "485.11875" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNS(=O)(=O)C2=CC(=CC=C2)Cl)CO)NC(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103423" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(3-fluorophenyl)urea" . obo:CHEBI_103424 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-SODQHWRNSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103424" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103425 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25+,26+,31-/m0/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-PXFJVXAFSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103425" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103426 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27-,33-/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-KIAQLKRMSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103426" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103427 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-16(2)27-26(33)28-20-10-11-22-21(12-20)25(32)29(5)14-23(34-6)17(3)13-30(18(4)15-35-22)24(31)19-8-7-9-19/h10-12,16-19,23H,7-9,13-15H2,1-6H3,(H2,27,28,33)/t17-,18-,23-/m1/s1" ; chebi:inchikey "FNBLPFIHIJQMKK-PMAPCBKXSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103427" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_103428 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24+,29-/m1/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-CAFXQFFASA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103428" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103429 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20+,22+,24-/m1/s1" ; chebi:inchikey "YBRLGVDHYMUGPQ-HLPIXKIESA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CCNC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@H](O3)CC(=O)N[C@H](C)C4=CC=CC=C4)N(C2=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103429" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_10343 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16958 ; owl:deprecated true . obo:CHEBI_103430 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26-,31+/m0/s1" ; chebi:inchikey "JEEWDARUSPNTGW-GURVGDRESA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103430" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103431 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22-,23-,29-/m0/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-VCTIXIOLSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103431" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103432 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25-,30+/m1/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-GBRARVNLSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103432" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103433 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27+,33-/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-QTLXSIBASA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103433" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103434 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25-,26+,31-/m1/s1" ; chebi:inchikey "JEEWDARUSPNTGW-ZGQJUUMOSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103434" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103435 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21+,25+/m0/s1" ; chebi:inchikey "ULMVXXWMSACXHE-UWHHFBIGSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103435" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103436 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22-,26-/m0/s1" ; chebi:inchikey "KNZOATPLJIEOET-MSZDEVHKSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103436" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103437 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22-,26+/m0/s1" ; chebi:inchikey "KNZOATPLJIEOET-OYSWMMLKSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103437" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103438 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27-,33-/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-BXWHCVCYSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103438" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103439 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20+,24+/m0/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-UECWXEIQSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103439" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_10344 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28825 ; owl:deprecated true . obo:CHEBI_103440 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H33N5O5" ; chebi:inchi "InChI=1S/C23H33N5O5/c1-32-19-7-3-2-6-17(19)24-22(30)25-18-9-8-16(33-20(18)15-29)10-13-28-14-21(26-27-28)23(31)11-4-5-12-23/h2-3,6-7,14,16,18,20,29,31H,4-5,8-13,15H2,1H3,(H2,24,25,30)/t16-,18-,20-/m1/s1" ; chebi:inchikey "OLUPXTRBOWIZHH-YVWKXTFCSA-N" ; chebi:mass "459.540" ; chebi:monoisotopicmass "459.24817" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCN3C=C(N=N3)C4(CCCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103440" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_103441 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20-,24-/m0/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-VKDGWMQASA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103441" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103442 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30+/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-ZXPXOXBPSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103442" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103443 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25-,26+,31-/m1/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-ZGQJUUMOSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103443" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103444 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20+,24-/m1/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-KCOOYEKVSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103444" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103445 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25+,30-/m1/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-ZASNTINBSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103445" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103446 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30-/m0/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-XZSZPMDUSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103446" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103447 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30-/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-INVAMZEASA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103447" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103448 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24-,25-,29-/m1/s1" ; chebi:inchikey "AIBBTECRVWULHH-DOUCHOMGSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103448" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103449 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22-,26+/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-SRCYTUNASA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103449" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_10345 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15337 ; owl:deprecated true . obo:CHEBI_103450 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21-,25-/m0/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-PDFGSZSQSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103450" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103451 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H29FN2O5" ; chebi:inchi "InChI=1S/C26H29FN2O5/c27-17-6-1-3-15(9-17)13-28-24(31)12-19-11-21-20-10-18(29-26(32)16-4-2-5-16)7-8-22(20)34-25(21)23(14-30)33-19/h1,3,6-10,16,19,21,23,25,30H,2,4-5,11-14H2,(H,28,31)(H,29,32)/t19-,21-,23-,25+/m1/s1" ; chebi:inchikey "OPNBGVGHIKRRPP-YTAKYCMFSA-N" ; chebi:mass "468.518" ; chebi:monoisotopicmass "468.20605" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC(=CC=C5)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103451" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_103452 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25-,29-/m1/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-MNGFJMBLSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103452" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103453 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-SODQHWRNSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103453" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103454 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C19H26N2O5" ; chebi:inchi "InChI=1S/C19H26N2O5/c1-25-19(24)18-14(11-22)13-10-20-15(3-2-4-16(20)23)17(13)21(18)9-12-5-7-26-8-6-12/h2-4,12-14,17-18,22H,5-11H2,1H3/t13-,14-,17+,18-/m1/s1" ; chebi:inchikey "HJKBIQDSPUJSJY-KJWYOANISA-N" ; chebi:mass "362.421" ; chebi:monoisotopicmass "362.18417" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@H]2N1CC4CCOCC4)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103454" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_103455 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21+,25-/m1/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-IZZGNVEXSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103455" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103456 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26-,31+/m1/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-ANKKVJNISA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103456" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103457 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27-,33-/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-IZPIQJOWSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103457" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103458 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27-,33-/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-GLPSKGHJSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103458" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103459 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26-,32+/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-IXTDCBFRSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103459" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_10346 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15507 ; owl:deprecated true . obo:CHEBI_103460 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23+,27+/m1/s1" ; chebi:inchikey "HPPNONYMLIWSNI-GGLGADRISA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103460" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103461 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21-,25+/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-QDMVCWPOSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103461" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103462 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22-,26+/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-IMIIHFCZSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103462" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103463 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23-,27-/m1/s1" ; chebi:inchikey "HPPNONYMLIWSNI-QSGNWFJVSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103463" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103464 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20-,21+,25+/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-HSGJQSDISA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103464" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103465 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27+,33+/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-SQQWPVGBSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103465" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103466 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19-,20-,24-/m1/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-DBYOASNMSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103466" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103467 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27-,33-/m1/s1" ; chebi:inchikey "LMYACBAJSFEPOG-BXWHCVCYSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103467" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103468 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27-,33+/m1/s1" ; chebi:inchikey "LMYACBAJSFEPOG-CYNXIGLJSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103468" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103469 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27+,33-/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-QTLXSIBASA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103469" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_10347 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28712 ; owl:deprecated true . obo:CHEBI_103470 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19-,20+,24+/m1/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-FDGPYGQJSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103470" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103471 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25-,26+,31-/m0/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-PDTFHCFTSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103471" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103472 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21-,25+/m0/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-UGCAPWQASA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103472" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103473 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22+,26-/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-IFOBJOEFSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103473" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103474 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H26N4O3" ; chebi:inchi "InChI=1S/C15H26N4O3/c16-12-4-3-11(22-13(12)10-20)5-8-19-9-14(17-18-19)15(21)6-1-2-7-15/h9,11-13,20-21H,1-8,10,16H2/t11-,12+,13-/m0/s1" ; chebi:inchikey "YQJUMYRMLUKMMH-XQQFMLRXSA-N" ; chebi:mass "310.393" ; chebi:monoisotopicmass "310.20049" ; chebi:smiles "C1CCC(C1)(C2=CN(N=N2)CC[C@@H]3CC[C@H]([C@@H](O3)CO)N)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103474" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[1-[2-[(2S,5R,6R)-5-amino-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-triazolyl]-1-cyclopentanol" . obo:CHEBI_103475 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26-,32+/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-ZYMMPZCLSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103475" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103476 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27+,33+/m1/s1" ; chebi:inchikey "LMYACBAJSFEPOG-ZLFFOLKFSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103476" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103477 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22+,26-/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-ZUVQJFRASA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103477" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103478 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26+,31-/m0/s1" ; chebi:inchikey "JEEWDARUSPNTGW-PXFJVXAFSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103478" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103479 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25+,26+,31-/m1/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-SQRAXXTESA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103479" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_10348 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27749 ; owl:deprecated true . obo:CHEBI_103480 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-SODQHWRNSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103480" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103481 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30+/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-ZXPXOXBPSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103481" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103482 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25+,30-/m1/s1" ; chebi:inchikey "STZYNHZFNFWBAK-ZASNTINBSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103482" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103483 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25+,30-/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-RPQPUBLWSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103483" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103484 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20-,24-/m1/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-ZBNTXBBCSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103484" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103485 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27-,33+/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-CYNXIGLJSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103485" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103486 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25-,30+/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-DNHJLFCISA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103486" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103487 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24-,29-/m1/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-CDLOMYRSSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103487" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103488 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25+,30-/m1/s1" ; chebi:inchikey "STZYNHZFNFWBAK-UBRKHCEVSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103488" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103489 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-YDXRHMNESA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103489" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_10349 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18323 ; owl:deprecated true . obo:CHEBI_103490 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-FJRSXGRASA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103490" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103491 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22-,23+,29-/m0/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-DGGNIJSCSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103491" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103492 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24-,25+,29-/m0/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-VYUAFQCHSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103492" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103493 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19-,20-,24+/m0/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-AZXNSQLWSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103493" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103494 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25-,30-/m1/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-SFOWLQBLSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103494" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103495 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21-,22-,26-/m1/s1" ; chebi:inchikey "NPRRWKGRZALGNG-PIXQIBFHSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103495" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103496 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25+,30+/m1/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-DUXAABNJSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103496" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103497 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24-,25-,29+/m1/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-IKOOFXLXSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103497" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103498 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20-,21-,25-/m0/s1" ; chebi:inchikey "ULMVXXWMSACXHE-UKDJSQQHSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103498" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103499 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21-,25+/m0/s1" ; chebi:inchikey "ULMVXXWMSACXHE-UGCAPWQASA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103499" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_1035 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17541 ; owl:deprecated true . obo:CHEBI_10350 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27608 ; owl:deprecated true . obo:CHEBI_103500 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25+,29-/m1/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-XHHBKWMTSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103500" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103501 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-FJRSXGRASA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103501" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103502 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22-,26+/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-BILGYAHESA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103502" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103503 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25+,30+/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-DUXAABNJSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103503" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103504 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25-,26-,31+/m0/s1" ; chebi:inchikey "JEEWDARUSPNTGW-WJQRCLFPSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103504" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103505 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25+,26+,31+/m1/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-OLHJXYGRSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103505" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103506 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25+,26-,31-/m1/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-FVCFNFBRSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103506" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103507 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25-,26+,31+/m0/s1" ; chebi:inchikey "JEEWDARUSPNTGW-PZTYDPALSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103507" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103508 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-RZDWVWPCSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103508" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103509 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27-,33+/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-LIHQSLCGSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103509" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_10351 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27413 ; owl:deprecated true . obo:CHEBI_103510 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26+,31-/m1/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-SQRAXXTESA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103510" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103511 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21-,22-,26+/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-OYSWMMLKSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103511" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103512 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25+,30+/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-ZQIPMTRKSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103512" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103513 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21+,25-/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-IZZGNVEXSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103513" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103514 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30-/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-SFOWLQBLSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103514" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103515 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25-,30+/m1/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-ZXPXOXBPSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103515" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103516 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21-,22+,26+/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-BTKWVRSESA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103516" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103517 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25+,29+/m0/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-GYKHTSFTSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103517" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103518 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22+,26+/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-CQAGSAPUSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103518" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103519 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25+,30+/m1/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-ZRIOWSNCSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103519" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_10352 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25872 ; rdfs:subClassOf obo:CHEBI_35681 . _:b274 rdf:type owl:Restriction . obo:CHEBI_10352 rdfs:subClassOf _:b274 . _:b274 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . _:b275 rdf:type owl:Restriction . obo:CHEBI_10352 rdfs:subClassOf _:b275 . _:b275 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76956 . _:b276 rdf:type owl:Restriction . obo:CHEBI_10352 rdfs:subClassOf _:b276 . _:b276 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_36481 . obo:CHEBI_10352 obo:IAO_0000115 "A pentacyclic triterpenoid that is oleanane substituted at the 3beta-position by a hydroxy group and containing a double bond between positions 12 and 13. It is one of the most commonly occurring triterpenoids in higher plants." ; chebi:charge "0" ; chebi:formula "C30H50O" ; chebi:inchi "InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1" ; chebi:inchikey "JFSHUTJDVKUMTJ-QHPUVITPSA-N" ; chebi:mass "426.71740" ; chebi:monoisotopicmass "426.38617" ; chebi:smiles "[H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10352" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-amyrin" . obo:CHEBI_103520 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25-,30+/m1/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-ZXPXOXBPSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103520" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103521 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26+,31-/m1/s1" ; chebi:inchikey "JEEWDARUSPNTGW-SQRAXXTESA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103521" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103522 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25-,26+,31-/m0/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-PDTFHCFTSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103522" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103523 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24+,25+,29+/m0/s1" ; chebi:inchikey "AIBBTECRVWULHH-GYKHTSFTSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103523" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103524 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22+,26-/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-BOCITWAFSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103524" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103525 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25+,30-/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-RPQPUBLWSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103525" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103526 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25-,29-/m0/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-JLMYGFKKSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103526" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103527 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27+,33-/m1/s1" ; chebi:inchikey "LMYACBAJSFEPOG-HYHRRZRMSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103527" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103528 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26-,32-/m0/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-GMKFGHRTSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103528" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103529 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25-,30+/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-DNHJLFCISA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103529" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_10353 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_78308 . _:b277 rdf:type owl:Restriction . obo:CHEBI_10353 rdfs:subClassOf _:b277 . _:b277 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50268 . obo:CHEBI_10353 obo:IAO_0000115 "The cis-isomer of asarone." ; chebi:charge "0" ; chebi:formula "C12H16O3" ; chebi:inchi "InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-" ; chebi:inchikey "RKFAZBXYICVSKP-WAYWQWQTSA-N" ; chebi:mass "208.25360" ; chebi:monoisotopicmass "208.10994" ; chebi:smiles "COc1cc(OC)c(\\C=C/C)cc1OC" ; oboInOwl:hasAlternativeId "CHEBI:68146" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10353" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-asarone" . obo:CHEBI_103530 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21+,25-/m0/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-SMTRIPRVSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103530" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103531 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25+,26+,31+/m0/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-BCVXLEMTSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103531" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103532 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20-,21-,25-/m0/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-UKDJSQQHSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103532" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103533 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20-,21-,25+/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-YCFYUYSTSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103533" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103534 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26+,31+/m1/s1" ; chebi:inchikey "JEEWDARUSPNTGW-OLHJXYGRSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103534" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103535 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22+,26-/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-BOCITWAFSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103535" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103536 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22-,26+/m1/s1" ; chebi:inchikey "NPRRWKGRZALGNG-SRCYTUNASA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103536" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103537 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23-,24-,29+/m0/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-HGPRPZRGSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103537" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103538 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-RZDWVWPCSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103538" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103539 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26-,31+/m0/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-GURVGDRESA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103539" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_10354 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27723 ; owl:deprecated true . obo:CHEBI_103540 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25+,30+/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-ZQIPMTRKSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103540" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103541 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24-,25-,29-/m0/s1" ; chebi:inchikey "AIBBTECRVWULHH-MGQBIDJDSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103541" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103542 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-FJRSXGRASA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103542" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103543 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23-,24-,29-/m0/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-UITIVDIESA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103543" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103544 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22-,26-/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-PIXQIBFHSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103544" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103545 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27+,33-/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-IULAASEQSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103545" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103546 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25-,30-/m1/s1" ; chebi:inchikey "STZYNHZFNFWBAK-SFOWLQBLSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103546" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103547 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20-,21-,25-/m1/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-QTDDQOEGSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103547" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103548 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25+,30+/m1/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-DUXAABNJSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103548" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103549 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25+,30-/m1/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-UBRKHCEVSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103549" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_10355 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17579 ; owl:deprecated true . obo:CHEBI_103550 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25+,29-/m0/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-RTAAPDIRSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103550" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103551 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24+,25-,29+/m1/s1" ; chebi:inchikey "AIBBTECRVWULHH-ZTVFFDQVSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103551" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103552 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23-,27-/m0/s1" ; chebi:inchikey "HPPNONYMLIWSNI-GIRPNKPCSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103552" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103553 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27+,33+/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-ZLFFOLKFSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103553" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103554 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25-,26-,31+/m1/s1" ; chebi:inchikey "JEEWDARUSPNTGW-KUXNCQQFSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103554" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103555 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25-,30-/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-XZSZPMDUSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103555" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103556 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21-,22+,26-/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-IFOBJOEFSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103556" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103557 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-FJRSXGRASA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103557" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103558 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25+,30-/m0/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-RPQPUBLWSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103558" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103559 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26-,32+/m0/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-PXSDZQOHSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103559" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_10356 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27793 ; owl:deprecated true . obo:CHEBI_103560 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H40N6O6" ; chebi:inchi "InChI=1S/C33H40N6O6/c1-20-31(21(2)45-37-20)36-33(42)35-23-9-12-28-26(15-23)32(41)38(3)27-11-10-25(44-29(27)19-43-28)16-30(40)34-24-13-14-39(18-24)17-22-7-5-4-6-8-22/h4-9,12,15,24-25,27,29H,10-11,13-14,16-19H2,1-3H3,(H,34,40)(H2,35,36,42)/t24-,25+,27+,29-/m0/s1" ; chebi:inchikey "JZQJXXSKGFWMTL-RCZLLDMCSA-N" ; chebi:mass "616.709" ; chebi:monoisotopicmass "616.30093" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103560" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_103561 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22-,23+,27-/m1/s1" ; chebi:inchikey "HPPNONYMLIWSNI-IQXSCUCBSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103561" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103562 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25-,30+/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-DNHJLFCISA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103562" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103563 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30+/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-DNHJLFCISA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103563" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103564 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22-,26+/m0/s1" ; chebi:inchikey "KNZOATPLJIEOET-IMIIHFCZSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103564" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103565 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25+,30-/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-UBRKHCEVSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103565" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103566 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34N2O7S" ; chebi:inchi "InChI=1S/C27H34N2O7S/c1-34-19-8-5-9-21(13-19)37(32,33)29-18-10-11-24-22(12-18)23-14-20(35-25(16-30)27(23)36-24)15-26(31)28-17-6-3-2-4-7-17/h5,8-13,17,20,23,25,27,29-30H,2-4,6-7,14-16H2,1H3,(H,28,31)/t20-,23-,25-,27+/m1/s1" ; chebi:inchikey "MPXYHEQTTLDTMZ-BQGNDZODSA-N" ; chebi:mass "530.635" ; chebi:monoisotopicmass "530.20867" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NC5CCCCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103566" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_103567 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25-,26-,31+/m1/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-KUXNCQQFSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103567" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103568 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35F2N3O5" ; chebi:inchi "InChI=1S/C27H35F2N3O5/c1-17-12-32(13-19-10-20(28)6-8-23(19)29)18(2)15-37-24-9-7-21(30-26(33)16-35-4)11-22(24)27(34)31(3)14-25(17)36-5/h6-11,17-18,25H,12-16H2,1-5H3,(H,30,33)/t17-,18+,25-/m1/s1" ; chebi:inchikey "ZVOSTPFCAQQCID-FUMQJTLXSA-N" ; chebi:mass "519.582" ; chebi:monoisotopicmass "519.25448" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=C(C=CC(=C3)F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103568" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_103569 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25+,29+/m1/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-SGDZTBBFSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103569" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_10357 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_63191 . _:b278 rdf:type owl:Restriction . obo:CHEBI_10357 rdfs:subClassOf _:b278 . _:b278 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . _:b279 rdf:type owl:Restriction . obo:CHEBI_10357 rdfs:subClassOf _:b279 . _:b279 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35475 . _:b280 rdf:type owl:Restriction . obo:CHEBI_10357 rdfs:subClassOf _:b280 . _:b280 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_48318 . _:b281 rdf:type owl:Restriction . obo:CHEBI_10357 rdfs:subClassOf _:b281 . _:b281 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_63190 . obo:CHEBI_10357 obo:IAO_0000115 "A beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has S configuration while the remaining stereocentre has R configuration. It is the most commonly occurring form of beta-caryophyllene, occurring in many essential oils, particularly oil of cloves." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1" ; chebi:inchikey "NPNUFJAVOOONJE-GFUGXAQUSA-N" ; chebi:mass "204.35110" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "[H][C@]12CC(C)(C)[C@]1([H])CC\\C(C)=C\\CCC2=C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10357" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(-)-beta-caryophyllene" . obo:CHEBI_103570 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30-/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-ZASNTINBSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103570" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103571 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22+,26+/m0/s1" ; chebi:inchikey "KNZOATPLJIEOET-BTKWVRSESA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103571" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103572 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21-,22+,26-/m1/s1" ; chebi:inchikey "NPRRWKGRZALGNG-ZUVQJFRASA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103572" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103573 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27+,33+/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-ZJXZHUIYSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103573" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103574 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-19-6-4-7-21(12-19)39(34,35)31-18-9-10-25-22(11-18)23-13-20(37-26(16-32)28(23)38-25)14-27(33)30-15-17-5-2-3-8-24(17)29/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23+,26+,28-/m1/s1" ; chebi:inchikey "UQAGOAYYXRCKNS-BYAUNOKSSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103574" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_103575 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33N3O5S" ; chebi:inchi "InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-38-29(21)18-32(3)39(36,37)25-11-8-9-23(15-25)16-31/h4-15,21-22,29,34H,17-20H2,1-3H3/t21-,22+,29-/m0/s1" ; chebi:inchikey "RWOMJVAVZPFCIF-KERYWQKISA-N" ; chebi:mass "547.667" ; chebi:monoisotopicmass "547.21409" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103575" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14919" . obo:CHEBI_103576 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24+,29+/m0/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-CMSZEEODSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103576" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103577 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22+,26+/m1/s1" ; chebi:inchikey "NPRRWKGRZALGNG-QILISPFLSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103577" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103578 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22+,26-/m0/s1" ; chebi:inchikey "KNZOATPLJIEOET-BOCITWAFSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103578" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103579 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21-,25-/m0/s1" ; chebi:inchikey "ULMVXXWMSACXHE-PDFGSZSQSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103579" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_10358 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_36217 ; owl:deprecated true . obo:CHEBI_103580 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25+,30-/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-RPQPUBLWSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103580" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103581 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24+,29+/m1/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-MSCBGTKOSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103581" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103582 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H43N3O6S" ; chebi:inchi "InChI=1S/C25H43N3O6S/c1-18-15-28(19(2)17-29)25(30)22-14-21(26(4)5)11-12-23(22)34-20(3)10-8-9-13-33-24(18)16-27(6)35(7,31)32/h11-12,14,18-20,24,29H,8-10,13,15-17H2,1-7H3/t18-,19+,20+,24-/m0/s1" ; chebi:inchikey "ORDOAKKGIRZCMJ-SMOZNVCYSA-N" ; chebi:mass "513.692" ; chebi:monoisotopicmass "513.28726" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103582" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylmethanesulfonamide" . obo:CHEBI_103583 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27-,33+/m1/s1" ; chebi:inchikey "LMYACBAJSFEPOG-CDNUTCOBSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103583" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103584 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24-,29-/m0/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-MVPDCNEZSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103584" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103585 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21-,25-/m1/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-FBROZUCGSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103585" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103586 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O8S" ; chebi:inchi "InChI=1S/C26H32N2O8S/c1-17-2-6-21(7-3-17)37(31,32)28-13-19(29)14-33-15-25-22(28)8-5-20(36-25)11-26(30)27-12-18-4-9-23-24(10-18)35-16-34-23/h2-4,6-7,9-10,19-20,22,25,29H,5,8,11-16H2,1H3,(H,27,30)/t19-,20+,22-,25+/m0/s1" ; chebi:inchikey "HNAQDDNENYJUKU-FOTFPPMPSA-N" ; chebi:mass "532.608" ; chebi:monoisotopicmass "532.18794" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103586" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_103587 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22+,23-,29-/m1/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-CPVANYHMSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103587" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103588 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24-,29+/m1/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-HZTMJRFTSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103588" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103589 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26+,31+/m0/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-BCVXLEMTSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103589" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_10359 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_61744 . _:b282 rdf:type owl:Restriction . obo:CHEBI_10359 rdfs:subClassOf _:b282 . _:b282 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_61746 . obo:CHEBI_10359 obo:IAO_0000115 "The (6R)-enantiomer of beta-chamigrene." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3/t15-/m1/s1" ; chebi:inchikey "WLNGPDPILFYWKF-OAHLLOKOSA-N" ; chebi:mass "204.35110" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "CC1=CC[C@@]2(CC1)C(=C)CCCC2(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10359" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(-)-beta-chamigrene" . obo:CHEBI_103590 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20-,21+,25-/m0/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-HULNYRCFSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103590" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103591 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20-,21+,25-/m1/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-NAZDKBRTSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103591" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103592 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23-,27+/m0/s1" ; chebi:inchikey "HPPNONYMLIWSNI-NBCVKUGOSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103592" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103593 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27+,33-/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-IULAASEQSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103593" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103594 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27-,33+/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-CDNUTCOBSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103594" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103595 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30-/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-SFOWLQBLSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103595" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103596 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26-,32-/m0/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-FBIDWWCOSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103596" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103597 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O5" ; chebi:inchi "InChI=1S/C29H50N4O5/c1-8-14-32(7)18-27-21(4)17-33(22(5)19-34)28(35)25-16-24(31-29(36)30-20(2)3)12-13-26(25)38-23(6)11-9-10-15-37-27/h12-13,16,20-23,27,34H,8-11,14-15,17-19H2,1-7H3,(H2,30,31,36)/t21-,22+,23-,27-/m1/s1" ; chebi:inchikey "OXLKGXSDHBDOHC-QSGNWFJVSA-N" ; chebi:mass "534.732" ; chebi:monoisotopicmass "534.37812" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103597" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103598 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21-,22-,26+/m1/s1" ; chebi:inchikey "NPRRWKGRZALGNG-BILGYAHESA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103598" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103599 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22+,23+,29-/m1/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-KOBSQPAKSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103599" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_1036 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17344 ; owl:deprecated true . obo:CHEBI_10360 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50462 . _:b283 rdf:type owl:Restriction . obo:CHEBI_10360 rdfs:subClassOf _:b283 . _:b283 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_88 . obo:CHEBI_10360 obo:IAO_0000115 "A citronellol that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7 (the 3R-enantiomer)." ; chebi:charge "0" ; chebi:formula "C10H20O" ; chebi:inchi "InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1" ; chebi:inchikey "QMVPMAAFGQKVCJ-SNVBAGLBSA-N" ; chebi:mass "156.26520" ; chebi:monoisotopicmass "156.15142" ; chebi:smiles "C[C@@H](CCO)CCC=C(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10360" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(R)-(+)-citronellol" . obo:CHEBI_103600 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22+,26+/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-BTKWVRSESA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103600" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103601 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22-,26-/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-UXGLMHHASA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103601" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103602 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H23N3OS" ; chebi:inchi "InChI=1S/C21H23N3OS/c1-4-17-12-23-21(26-17)24-18(11-22)20(19(24)13-25)16-9-7-15(8-10-16)6-5-14(2)3/h7-10,12,14,18-20,25H,4,13H2,1-3H3/t18-,19+,20+/m1/s1" ; chebi:inchikey "DBBLKINRPPNEJI-AABGKKOBSA-N" ; chebi:mass "365.494" ; chebi:monoisotopicmass "365.15618" ; chebi:smiles "CCC1=CN=C(S1)N2[C@H]([C@H]([C@H]2C#N)C3=CC=C(C=C3)C#CC(C)C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103602" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_103603 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27+,33+/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-SQQWPVGBSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103603" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103604 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27-,33+/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-CLFOAKAGSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103604" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103605 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24+,25+,29+/m1/s1" ; chebi:inchikey "AIBBTECRVWULHH-SGDZTBBFSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103605" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103606 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24-,29+/m0/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-HNFJUSDZSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103606" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103607 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21-,25-/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-FBROZUCGSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103607" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103608 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O7" ; chebi:inchi "InChI=1S/C25H34N4O7/c1-15-11-29(23(30)14-33-5)16(2)13-35-21-8-7-18(26-24(31)20-9-17(3)36-27-20)10-19(21)25(32)28(4)12-22(15)34-6/h7-10,15-16,22H,11-14H2,1-6H3,(H,26,31)/t15-,16-,22+/m0/s1" ; chebi:inchikey "QUVWWXZLNVGVGD-PONJGIIJSA-N" ; chebi:mass "502.561" ; chebi:monoisotopicmass "502.24275" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103608" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_103609 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-YDXRHMNESA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103609" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_10361 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38922 ; chebi:charge "0" ; chebi:formula "C16H16O6" ; chebi:inchi "InChI=1S/C16H16O6/c1-18-11-7-9-8-5-6-10(17)14(19-2)12(8)22-13(9)16(21-4)15(11)20-3/h5-7,17H,1-4H3" ; chebi:inchikey "NUNJCHKNADZUSZ-UHFFFAOYSA-N" ; chebi:mass "304.295" ; chebi:monoisotopicmass "304.09469" ; chebi:smiles "COc1cc2c3ccc(O)c(OC)c3oc2c(OC)c1OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10361" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-cotonefuran" . obo:CHEBI_103610 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24-,25-,29+/m0/s1" ; chebi:inchikey "AIBBTECRVWULHH-VVEDBRRQSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103610" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103611 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22-,26-/m0/s1" ; chebi:inchikey "KNZOATPLJIEOET-YGWSKSRPSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103611" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103612 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46920 ; chebi:charge "0" ; chebi:formula "C22H39N3O5" ; chebi:inchi "InChI=1S/C22H39N3O5/c1-23-6-8-24(9-7-23)22(27)12-19-2-3-20-21(30-19)16-29-15-18(26)14-25(20)13-17-4-10-28-11-5-17/h17-21,26H,2-16H2,1H3/t18-,19-,20-,21+/m1/s1" ; chebi:inchikey "MTMISLSQWFYTRE-NCYKPQTJSA-N" ; chebi:mass "425.563" ; chebi:monoisotopicmass "425.28897" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3CC4CCOCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103612" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_103613 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27-,33-/m1/s1" ; chebi:inchikey "LMYACBAJSFEPOG-GLPSKGHJSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103613" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103614 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20-,24+/m1/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-ZSTWQFLISA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103614" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103615 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C17H25N3O3" ; chebi:inchi "InChI=1S/C17H25N3O3/c1-4-8-19-13-9-20-12(6-5-7-14(20)22)16(19)15(11(13)10-21)17(23)18(2)3/h5-7,11,13,15-16,21H,4,8-10H2,1-3H3/t11-,13-,15+,16+/m0/s1" ; chebi:inchikey "OCXQXADZMXZZGR-DDUYRFODSA-N" ; chebi:mass "319.399" ; chebi:monoisotopicmass "319.18959" ; chebi:smiles "CCCN1[C@H]2CN3C(=O)C=CC=C3[C@@H]1[C@@H]([C@H]2CO)C(=O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103615" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14959" . obo:CHEBI_103616 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25-,26+,31-/m0/s1" ; chebi:inchikey "JEEWDARUSPNTGW-PDTFHCFTSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103616" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103617 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26+,32+/m0/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-MQBJWECPSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103617" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103618 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25-,26+,31+/m1/s1" ; chebi:inchikey "JEEWDARUSPNTGW-PCEYSVKOSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103618" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103619 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27-,33+/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-CLFOAKAGSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103619" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_10362 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23045 . _:b284 rdf:type owl:Restriction . obo:CHEBI_10362 rdfs:subClassOf _:b284 . _:b284 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_22586 . _:b285 rdf:type owl:Restriction . obo:CHEBI_10362 rdfs:subClassOf _:b285 . _:b285 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_59163 . _:b286 rdf:type owl:Restriction . obo:CHEBI_10362 rdfs:subClassOf _:b286 . _:b286 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_67200 . _:b287 rdf:type owl:Restriction . obo:CHEBI_10362 rdfs:subClassOf _:b287 . _:b287 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . _:b288 rdf:type owl:Restriction . obo:CHEBI_10362 rdfs:subClassOf _:b288 . _:b288 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_17579 . obo:CHEBI_10362 obo:IAO_0000115 "A carotenol that exhibits antioxidant activity. It has been isolated from fruits such as papaya and oranges." ; chebi:charge "0" ; chebi:formula "C40H56O" ; chebi:inchi "InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1" ; chebi:inchikey "DMASLKHVQRHNES-FKKUPVFPSA-N" ; chebi:mass "552.87204" ; chebi:monoisotopicmass "552.43312" ; chebi:smiles "CC(\\C=C\\C=C(C)\\C=C\\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10362" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-cryptoxanthin" . obo:CHEBI_103620 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21+,25+/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-VWEIPLKFSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103620" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103621 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-RZDWVWPCSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103621" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103622 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22-,26+/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-SRCYTUNASA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103622" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103623 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25+,30+/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-ZQIPMTRKSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103623" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103624 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30+/m0/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-DNHJLFCISA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103624" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103625 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30-/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-XZSZPMDUSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103625" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103626 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23+,27+/m0/s1" ; chebi:inchikey "HPPNONYMLIWSNI-IILZIBOQSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103626" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103627 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26+,31+/m0/s1" ; chebi:inchikey "JEEWDARUSPNTGW-BCVXLEMTSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103627" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103628 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24-,25-,29+/m1/s1" ; chebi:inchikey "AIBBTECRVWULHH-IKOOFXLXSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103628" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103629 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24+,25-,29-/m0/s1" ; chebi:inchikey "AIBBTECRVWULHH-JLMYGFKKSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103629" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_10363 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35189 ; rdfs:subClassOf obo:CHEBI_38032 . _:b289 rdf:type owl:Restriction . obo:CHEBI_10363 rdfs:subClassOf _:b289 . _:b289 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . obo:CHEBI_10363 obo:IAO_0000115 "A tricyclic sesquiterpene, a constituent of the leaf oil cubebene obtained from a variety of species of flowering plant." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1" ; chebi:inchikey "FSRZGYRCMPZNJF-KHMAMNHCSA-N" ; chebi:mass "204.35110" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "[H][C@]12[C@@H](CC[C@@H](C)[C@]11CCC(=C)[C@]21[H])C(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10363" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-cubebene" . obo:CHEBI_103630 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C24H27F3N4O4" ; chebi:inchi "InChI=1S/C24H27F3N4O4/c25-24(26,27)5-7-30-20-17(18(14-32)21(30)23(34)29-8-10-35-11-9-29)13-31-19(20)4-3-16(22(31)33)15-2-1-6-28-12-15/h1-4,6,12,17-18,20-21,32H,5,7-11,13-14H2/t17-,18-,20+,21-/m0/s1" ; chebi:inchikey "FOQMOMHPOVABOQ-MMKMLUHNSA-N" ; chebi:mass "492.492" ; chebi:monoisotopicmass "492.19844" ; chebi:smiles "C1COCCN1C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@@H]3N2CCC(F)(F)F)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103630" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-2-[4-morpholinyl(oxo)methyl]-7-(3-pyridinyl)-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_103631 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22-,26-/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-MSZDEVHKSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103631" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103632 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19-,20+,24+/m0/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-PWSZPPJVSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103632" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103633 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27+,33+/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-ZJXZHUIYSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103633" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103634 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24+,29-/m0/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-SEAFADMZSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103634" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103635 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25-,30-/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-XZSZPMDUSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103635" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103636 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26+,31+/m1/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-OLHJXYGRSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103636" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103637 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21+,25+/m0/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-UWHHFBIGSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103637" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103638 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20-,21+,25-/m0/s1" ; chebi:inchikey "ULMVXXWMSACXHE-HULNYRCFSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103638" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103639 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20-,21-,25-/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-QTDDQOEGSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103639" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_10364 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39270 ; chebi:charge "0" ; chebi:formula "C15H20O2" ; chebi:inchi "InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15+/m0/s1" ; chebi:inchikey "XUYAKPXYKQEFPD-SFDCQRBFSA-N" ; chebi:mass "232.319" ; chebi:monoisotopicmass "232.14633" ; chebi:smiles "C[C@]12CCCC(=C)[C@@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10364" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-Cyclocostunolide" . obo:CHEBI_103640 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20+,24-/m0/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-SMOZNVCYSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103640" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103641 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26-,31-/m0/s1" ; chebi:inchikey "JEEWDARUSPNTGW-XZSHTLEFSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103641" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103642 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-YDXRHMNESA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103642" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103643 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20-,21-,25+/m0/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-AIFLQVKLSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103643" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103644 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H27FN4O4" ; chebi:inchi "InChI=1S/C26H27FN4O4/c27-16-4-1-3-15(9-16)19-7-8-21-24-23(25(33)29-17-5-2-6-17)20(12-32)22(11-31(21)26(19)34)30(24)10-18-13-35-14-28-18/h1,3-4,7-9,13-14,17,20,22-24,32H,2,5-6,10-12H2,(H,29,33)/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "UTTHWALNPQWSTE-AZOUXBGGSA-N" ; chebi:mass "478.516" ; chebi:monoisotopicmass "478.20163" ; chebi:smiles "C1CC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC(=CC=C5)F)[C@@H]2N3CC6=COC=N6)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103644" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14988" . obo:CHEBI_103645 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25-,30-/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-XZSZPMDUSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103645" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103646 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22-,23-,29+/m1/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-OFKKAEEBSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103646" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103647 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24-,25+,29+/m0/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-RGYUWNBKSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103647" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103648 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30-/m0/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-INVAMZEASA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103648" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103649 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31F3N2O4S" ; chebi:inchi "InChI=1S/C23H31F3N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17+,23+/m1/s1" ; chebi:inchikey "HABLAPXLJDLSLY-DGGJZMOXSA-N" ; chebi:mass "488.565" ; chebi:monoisotopicmass "488.19566" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103649" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_10365 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22838 . _:b290 rdf:type owl:Restriction . obo:CHEBI_10365 rdfs:subClassOf _:b290 . _:b290 owl:onProperty chebi2:is_tautomer_of ; owl:someValuesFrom obo:CHEBI_17233 . obo:CHEBI_10365 chebi:charge "0" ; chebi:formula "C20H22N2O3" ; chebi:inchi "InChI=1S/C20H22N2O3/c1-11(2)7-8-13-5-4-6-15-18(13)14(10-21-15)9-16-19(24)17(12(3)23)20(25)22-16/h4-7,10,16,21,24H,8-9H2,1-3H3,(H,22,25)/t16-/m0/s1" ; chebi:inchikey "MVUXMIXDFMUPLL-INIZCTEOSA-N" ; chebi:mass "338.40036" ; chebi:monoisotopicmass "338.16304" ; chebi:smiles "[H][C@@]1(Cc2c[nH]c3cccc(CC=C(C)C)c23)NC(=O)C(C(C)=O)=C1O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10365" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(5S)-3-acetyl-4-hydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one" . obo:CHEBI_103650 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27-,33+/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-LIHQSLCGSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103650" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103651 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26+,32-/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-UOJGMACNSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103651" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103652 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-SODQHWRNSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103652" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103653 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-6-9-25(32)29-20-11-12-23-21(14-20)26(33)30(4)16-24(35-5)18(2)15-31(19(3)17-36-23)27(34)22-10-7-8-13-28-22/h7-8,10-14,18-19,24H,6,9,15-17H2,1-5H3,(H,29,32)/t18-,19-,24+/m1/s1" ; chebi:inchikey "ZTXXWNNQGVNFQF-IECBHUPTSA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103653" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_103654 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27-,33-/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-IZPIQJOWSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103654" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103655 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25+,30-/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-INVAMZEASA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103655" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103656 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25+,30-/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-INVAMZEASA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103656" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103657 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O5" ; chebi:inchi "InChI=1S/C29H50N4O5/c1-8-14-32(7)18-27-21(4)17-33(22(5)19-34)28(35)25-16-24(31-29(36)30-20(2)3)12-13-26(25)38-23(6)11-9-10-15-37-27/h12-13,16,20-23,27,34H,8-11,14-15,17-19H2,1-7H3,(H2,30,31,36)/t21-,22+,23+,27+/m0/s1" ; chebi:inchikey "OXLKGXSDHBDOHC-IILZIBOQSA-N" ; chebi:mass "534.732" ; chebi:monoisotopicmass "534.37812" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103657" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103658 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25+,30-/m1/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-UBRKHCEVSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103658" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103659 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25+,30-/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-UBRKHCEVSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103659" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_10366 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_63347 ; chebi:charge "0" ; chebi:formula "C7H14O4" ; chebi:inchi "InChI=1S/C7H14O4/c1-5(9)7(10)6(11-2)3-4-8/h4-7,9-10H,3H2,1-2H3/t5-,6+,7-/m1/s1" ; chebi:inchikey "GOYBREOSJSERKM-DSYKOEDSSA-N" ; chebi:mass "162.18366" ; chebi:monoisotopicmass "162.08921" ; chebi:smiles "[H]C([H])(C=O)[C@]([H])(OC)[C@]([H])(O)[C@@]([H])(C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10366" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "D-cymarose" . obo:CHEBI_103660 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30+/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-GBRARVNLSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103660" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103661 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "STZYNHZFNFWBAK-FJRSXGRASA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103661" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103662 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25-,29+/m0/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-APSVEGKFSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103662" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103663 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22-,23+,27-/m0/s1" ; chebi:inchikey "HPPNONYMLIWSNI-TZKYFUQOSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103663" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103664 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22+,23-,29-/m0/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-OJNHJINQSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103664" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103665 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24-,25+,29+/m0/s1" ; chebi:inchikey "AIBBTECRVWULHH-RGYUWNBKSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103665" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103666 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26+,32-/m0/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-GSDPCRBASA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103666" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103667 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-11-17(27-24(31)28-20-8-6-5-7-19(20)25)9-10-18(21)23(30)29(3)13-22(15)32-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16+,22-/m1/s1" ; chebi:inchikey "VOCYCOKXIBOWBC-ZMPRRUGASA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103667" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-chlorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_103668 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25-,29+/m1/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-ZTVFFDQVSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103668" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103669 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H42N4O7" ; chebi:inchi "InChI=1S/C30H42N4O7/c1-19-16-34(20(2)17-35)29(36)24-13-22(32-30(37)33-23-9-11-26-27(14-23)40-18-39-26)8-10-25(24)41-21(3)7-5-6-12-38-28(19)15-31-4/h8-11,13-14,19-21,28,31,35H,5-7,12,15-18H2,1-4H3,(H2,32,33,37)/t19-,20-,21+,28-/m1/s1" ; chebi:inchikey "DZFCVSNNMFSZPA-DNPYRZTBSA-N" ; chebi:mass "570.678" ; chebi:monoisotopicmass "570.30535" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103669" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_10367 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27672 ; owl:deprecated true . obo:CHEBI_103670 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H46ClN3O6S" ; chebi:inchi "InChI=1S/C31H46ClN3O6S/c1-6-16-34(5)20-30-22(2)19-35(23(3)21-36)31(37)28-18-26(33-42(38,39)27-13-10-25(32)11-14-27)12-15-29(28)41-24(4)9-7-8-17-40-30/h10-15,18,22-24,30,33,36H,6-9,16-17,19-21H2,1-5H3/t22-,23-,24+,30-/m1/s1" ; chebi:inchikey "XCNKIYRWXFRDDY-HTWFIQDWSA-N" ; chebi:mass "624.234" ; chebi:monoisotopicmass "623.27959" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103670" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_103671 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H31F2N3O3" ; chebi:inchi "InChI=1S/C28H31F2N3O3/c1-18-14-33(19(2)17-34)28(35)24-12-21(23-9-4-5-10-25(23)30)13-31-27(24)36-26(18)16-32(3)15-20-7-6-8-22(29)11-20/h4-13,18-19,26,34H,14-17H2,1-3H3/t18-,19+,26-/m1/s1" ; chebi:inchikey "NAZKFJIDOIPBCY-UYXZNNOOSA-N" ; chebi:mass "495.562" ; chebi:monoisotopicmass "495.23335" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3F)O[C@@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103671" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103672 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S2" ; chebi:inchi "InChI=1S/C27H36N2O6S2/c1-19-9-12-24(13-10-19)36(31,32)28(4)17-26-20(2)16-29(21(3)18-30)37(33,34)27-14-11-23(15-25(27)35-26)22-7-5-6-8-22/h7,9-15,20-21,26,30H,5-6,8,16-18H2,1-4H3/t20-,21-,26+/m1/s1" ; chebi:inchikey "ZNXYRHHWSDGXHP-YPCDYVTLSA-N" ; chebi:mass "548.718" ; chebi:monoisotopicmass "548.20148" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103672" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_103673 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H38N2O4S" ; chebi:inchi "InChI=1S/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19+,23+/m0/s1" ; chebi:inchikey "GQEOHDGNFBZEER-YCRNBWNJSA-N" ; chebi:mass "450.637" ; chebi:monoisotopicmass "450.25523" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCCC3)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103673" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103674 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C20H30N2O4S" ; chebi:inchi "InChI=1S/C20H30N2O4S/c1-14-12-22(15(2)13-23)27(24,25)20-9-8-17(16-6-4-5-7-16)10-18(20)26-19(14)11-21-3/h6,8-10,14-15,19,21,23H,4-5,7,11-13H2,1-3H3/t14-,15+,19+/m1/s1" ; chebi:inchikey "DIFJFYXOESTABI-VCBZYWHSSA-N" ; chebi:mass "394.530" ; chebi:monoisotopicmass "394.19263" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CNC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103674" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4R,5R)-8-(1-cyclopentenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103675 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O5" ; chebi:inchi "InChI=1S/C29H50N4O5/c1-21-18-33(22(2)20-34)29(36)25-17-24(30-28(35)12-10-15-31(4)5)13-14-26(25)38-23(3)11-8-9-16-37-27(21)19-32(6)7/h13-14,17,21-23,27,34H,8-12,15-16,18-20H2,1-7H3,(H,30,35)/t21-,22+,23-,27-/m1/s1" ; chebi:inchikey "LTGDTYHJVMKPBL-QSGNWFJVSA-N" ; chebi:mass "534.732" ; chebi:monoisotopicmass "534.37812" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103675" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103676 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O5" ; chebi:inchi "InChI=1S/C32H46N4O5/c1-22-18-36(23(2)21-37)32(39)28-17-27(34-31(38)26-12-14-33-15-13-26)10-11-29(28)41-24(3)7-5-6-16-40-30(22)20-35(4)19-25-8-9-25/h10-15,17,22-25,30,37H,5-9,16,18-21H2,1-4H3,(H,34,38)/t22-,23+,24-,30+/m1/s1" ; chebi:inchikey "YDCDOYMHDVYTIM-IFVFNEAISA-N" ; chebi:mass "566.733" ; chebi:monoisotopicmass "566.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103676" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103677 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O5" ; chebi:inchi "InChI=1S/C28H40N4O5/c1-19-17-32(20(2)18-33)28(35)24-15-23(31-27(34)22-10-12-30-13-11-22)8-9-25(24)37-21(3)7-5-6-14-36-26(19)16-29-4/h8-13,15,19-21,26,29,33H,5-7,14,16-18H2,1-4H3,(H,31,34)/t19-,20-,21-,26-/m0/s1" ; chebi:inchikey "UGHRLCJQQBYBPV-JYEBCORGSA-N" ; chebi:mass "512.642" ; chebi:monoisotopicmass "512.29987" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103677" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103678 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N3O6S" ; chebi:inchi "InChI=1S/C30H51N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h14-15,17,22-25,29,31,34H,6-13,16,18-21H2,1-5H3/t22-,23-,24-,29-/m1/s1" ; chebi:inchikey "MOSVBDAIGOGSPE-RWJVBYDYSA-N" ; chebi:mass "581.810" ; chebi:monoisotopicmass "581.34986" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103678" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_103679 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H44N4O7" ; chebi:inchi "InChI=1S/C31H44N4O7/c1-20-16-35(21(2)18-36)30(37)25-14-23(32-31(38)33-24-10-12-27-28(15-24)41-19-40-27)9-11-26(25)42-22(3)8-6-7-13-39-29(20)17-34(4)5/h9-12,14-15,20-22,29,36H,6-8,13,16-19H2,1-5H3,(H2,32,33,38)/t20-,21-,22+,29+/m0/s1" ; chebi:inchikey "BFYBBBSDVFDXJC-ZMROOPMESA-N" ; chebi:mass "584.705" ; chebi:monoisotopicmass "584.32100" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103679" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,3-benzodioxol-5-yl)-3-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_10368 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_63343 ; chebi:charge "0" ; chebi:formula "C7H14O5" ; chebi:inchi "InChI=1S/C7H14O5/c1-4(9)6(11)7(12-2)5(10)3-8/h3-7,9-11H,1-2H3/t4-,5+,6+,7-/m1/s1" ; chebi:inchikey "MPQBLCRFUYGBHE-JRTVQGFMSA-N" ; chebi:mass "178.18306" ; chebi:monoisotopicmass "178.08412" ; chebi:smiles "[H][C@](C)(O)[C@]([H])(O)[C@]([H])(OC)[C@@]([H])(O)C=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10368" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "digitalose" . obo:CHEBI_103680 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H38N2O4S" ; chebi:inchi "InChI=1S/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19+,23-/m1/s1" ; chebi:inchikey "GQEOHDGNFBZEER-SELNLUPBSA-N" ; chebi:mass "450.637" ; chebi:monoisotopicmass "450.25523" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCCC3)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103680" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4R,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103681 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H38N2O4S" ; chebi:inchi "InChI=1S/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19-,23-/m0/s1" ; chebi:inchikey "GQEOHDGNFBZEER-YDHSSHFGSA-N" ; chebi:mass "450.637" ; chebi:monoisotopicmass "450.25523" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCCC3)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103681" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103682 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-19-16-32(20(2)18-33)28(35)24-14-23(22-7-5-4-6-8-22)15-30-27(24)36-25(19)17-31(3)26(34)13-21-9-11-29-12-10-21/h7,9-12,14-15,19-20,25,33H,4-6,8,13,16-18H2,1-3H3/t19-,20+,25-/m0/s1" ; chebi:inchikey "ZECMXSZSTQYLBY-DFIYOIEZSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@H]1CN(C)C(=O)CC4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103682" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(2R,3S)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide" . obo:CHEBI_103683 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H45N3O6S" ; chebi:inchi "InChI=1S/C26H45N3O6S/c1-7-13-28(5)17-25-19(2)16-29(20(3)18-30)26(31)23-15-22(27-36(6,32)33)11-12-24(23)35-21(4)10-8-9-14-34-25/h11-12,15,19-21,25,27,30H,7-10,13-14,16-18H2,1-6H3/t19-,20-,21-,25+/m1/s1" ; chebi:inchikey "ZOEMVRGQCOXOOR-YCFYUYSTSA-N" ; chebi:mass "527.719" ; chebi:monoisotopicmass "527.30291" ; chebi:smiles "CCCN(C)C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103683" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_103684 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H31FN4O3" ; chebi:inchi "InChI=1S/C29H31FN4O3/c1-20-16-34(21(2)19-35)29(36)26-13-24(7-6-22-5-4-12-31-14-22)15-32-28(26)37-27(20)18-33(3)17-23-8-10-25(30)11-9-23/h4-5,8-15,20-21,27,35H,16-19H2,1-3H3/t20-,21+,27-/m0/s1" ; chebi:inchikey "XTWZIVUPDNYJMX-ISCCLHIJSA-N" ; chebi:mass "502.581" ; chebi:monoisotopicmass "502.23802" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103684" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103685 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H47N5O6S" ; chebi:inchi "InChI=1S/C29H47N5O6S/c1-7-13-32(5)17-27-21(2)16-34(22(3)19-35)29(36)25-15-24(31-41(37,38)28-18-33(6)20-30-28)11-12-26(25)40-23(4)10-8-9-14-39-27/h11-12,15,18,20-23,27,31,35H,7-10,13-14,16-17,19H2,1-6H3/t21-,22-,23+,27+/m0/s1" ; chebi:inchikey "IKHNOPCXKIAMPI-OJXRJRMYSA-N" ; chebi:mass "593.781" ; chebi:monoisotopicmass "593.32471" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103685" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103686 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H31FN4O3" ; chebi:inchi "InChI=1S/C29H31FN4O3/c1-20-16-34(21(2)19-35)29(36)26-13-24(7-6-22-5-4-12-31-14-22)15-32-28(26)37-27(20)18-33(3)17-23-8-10-25(30)11-9-23/h4-5,8-15,20-21,27,35H,16-19H2,1-3H3/t20-,21-,27+/m0/s1" ; chebi:inchikey "XTWZIVUPDNYJMX-NOMHHCBYSA-N" ; chebi:mass "502.581" ; chebi:monoisotopicmass "502.23802" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103686" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103687 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H46N4O7S" ; chebi:inchi "InChI=1S/C29H46N4O7S/c1-19-16-33(20(2)18-34)29(35)25-15-24(31(6)7)12-13-26(25)39-21(3)11-9-10-14-38-27(19)17-32(8)41(36,37)28-22(4)30-40-23(28)5/h12-13,15,19-21,27,34H,9-11,14,16-18H2,1-8H3/t19-,20+,21-,27+/m1/s1" ; chebi:inchikey "PQVSIMSGGSSCRI-RBZJZWSTSA-N" ; chebi:mass "594.765" ; chebi:monoisotopicmass "594.30872" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=C(ON=C3C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103687" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide" . obo:CHEBI_103688 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H46N4O7S" ; chebi:inchi "InChI=1S/C29H46N4O7S/c1-19-16-33(20(2)18-34)29(35)25-15-24(31(6)7)12-13-26(25)39-21(3)11-9-10-14-38-27(19)17-32(8)41(36,37)28-22(4)30-40-23(28)5/h12-13,15,19-21,27,34H,9-11,14,16-18H2,1-8H3/t19-,20+,21+,27+/m1/s1" ; chebi:inchikey "PQVSIMSGGSSCRI-GMAGDTKFSA-N" ; chebi:mass "594.765" ; chebi:monoisotopicmass "594.30872" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=C(ON=C3C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103688" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide" . obo:CHEBI_103689 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C30H33F3N4O4" ; chebi:inchi "InChI=1S/C30H33F3N4O4/c1-19-15-37(20(2)18-38)29(40)24-5-4-6-25(35-28(39)22-11-13-34-14-12-22)27(24)41-26(19)17-36(3)16-21-7-9-23(10-8-21)30(31,32)33/h4-14,19-20,26,38H,15-18H2,1-3H3,(H,35,39)/t19-,20-,26+/m0/s1" ; chebi:inchikey "KEFKPOALKIRQIF-CUVVAGTFSA-N" ; chebi:mass "570.604" ; chebi:monoisotopicmass "570.24539" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103689" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide" . obo:CHEBI_10369 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16703 ; owl:deprecated true . obo:CHEBI_103690 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N3O5" ; chebi:inchi "InChI=1S/C32H47N3O5/c1-23-20-35(24(2)22-36)32(38)28-19-27(33(4)5)15-16-29(28)40-25(3)12-10-11-17-39-30(23)21-34(6)31(37)18-26-13-8-7-9-14-26/h7-9,13-16,19,23-25,30,36H,10-12,17-18,20-22H2,1-6H3/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "ZGCRSIABJPRXFC-SODQHWRNSA-N" ; chebi:mass "553.734" ; chebi:monoisotopicmass "553.35157" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103690" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103691 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C22H29N3O4" ; chebi:inchi "InChI=1S/C22H29N3O4/c1-14-12-25(15(2)13-26)22(27)19-9-17(16-5-7-18(28-4)8-6-16)10-24-21(19)29-20(14)11-23-3/h5-10,14-15,20,23,26H,11-13H2,1-4H3/t14-,15+,20+/m0/s1" ; chebi:inchikey "KUOLKNDJLDMVPT-BXTJHSDWSA-N" ; chebi:mass "399.484" ; chebi:monoisotopicmass "399.21581" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=C(C=C3)OC)O[C@@H]1CNC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103691" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103692 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C28H39N5O4" ; chebi:inchi "InChI=1S/C28H39N5O4/c1-19-15-33(20(2)18-34)28(36)22-10-7-11-23(31-27(35)24-14-29-12-13-30-24)26(22)37-25(19)17-32(3)16-21-8-5-4-6-9-21/h7,10-14,19-21,25,34H,4-6,8-9,15-18H2,1-3H3,(H,31,35)/t19-,20+,25-/m0/s1" ; chebi:inchikey "QUBNYOYZPRCGDK-DFIYOIEZSA-N" ; chebi:mass "509.641" ; chebi:monoisotopicmass "509.30020" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@H]1CN(C)CC4CCCCC4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103692" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide" . obo:CHEBI_103693 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S2" ; chebi:inchi "InChI=1S/C27H36N2O6S2/c1-19-9-12-24(13-10-19)36(31,32)28(4)17-26-20(2)16-29(21(3)18-30)37(33,34)27-14-11-23(15-25(27)35-26)22-7-5-6-8-22/h7,9-15,20-21,26,30H,5-6,8,16-18H2,1-4H3/t20-,21-,26-/m0/s1" ; chebi:inchikey "ZNXYRHHWSDGXHP-WOVHNISZSA-N" ; chebi:mass "548.718" ; chebi:monoisotopicmass "548.20148" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103693" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_103694 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H38N2O4S" ; chebi:inchi "InChI=1S/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19+,23+/m1/s1" ; chebi:inchikey "GQEOHDGNFBZEER-MSYCTHLASA-N" ; chebi:mass "450.637" ; chebi:monoisotopicmass "450.25523" ; chebi:smiles "CCCN(C)C[C@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCCC3)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103694" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4R,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103695 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-19-16-32(20(2)18-33)28(35)24-14-23(22-7-5-4-6-8-22)15-30-27(24)36-25(19)17-31(3)26(34)13-21-9-11-29-12-10-21/h7,9-12,14-15,19-20,25,33H,4-6,8,13,16-18H2,1-3H3/t19-,20+,25-/m1/s1" ; chebi:inchikey "ZECMXSZSTQYLBY-OHUGHZGNSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@@H]1CN(C)C(=O)CC4=CC=NC=C4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103695" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide" . obo:CHEBI_103696 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H48N4O5" ; chebi:inchi "InChI=1S/C35H48N4O5/c1-24-21-39(25(2)23-40)34(41)30-20-28(37(4)5)17-18-32(30)44-26(3)12-9-10-19-43-33(24)22-38(6)35(42)36-31-16-11-14-27-13-7-8-15-29(27)31/h7-8,11,13-18,20,24-26,33,40H,9-10,12,19,21-23H2,1-6H3,(H,36,42)/t24-,25-,26+,33-/m1/s1" ; chebi:inchikey "UBYZDEGPUXBRQE-BEXWAKDESA-N" ; chebi:mass "604.781" ; chebi:monoisotopicmass "604.36247" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103696" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea" . obo:CHEBI_103697 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H32FN3O4S" ; chebi:inchi "InChI=1S/C29H32FN3O4S/c1-20-16-33(21(2)19-34)38(35,36)29-12-11-25(24-9-7-22(15-31)8-10-24)14-27(29)37-28(20)18-32(3)17-23-5-4-6-26(30)13-23/h4-14,20-21,28,34H,16-19H2,1-3H3/t20-,21+,28+/m0/s1" ; chebi:inchikey "PEEJAUXHJGOSQX-BALWLHIASA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.20976" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)O[C@@H]1CN(C)CC4=CC(=CC=C4)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103697" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4S,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103698 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C28H38N4O3" ; chebi:inchi "InChI=1S/C28H38N4O3/c1-20-9-7-10-24(13-20)17-31(6)18-26-21(2)16-32(22(3)19-33)28(34)25-14-23(11-8-12-30(4)5)15-29-27(25)35-26/h7,9-10,13-15,21-22,26,33H,12,16-19H2,1-6H3/t21-,22+,26-/m0/s1" ; chebi:inchikey "ULRIVBOCOZEEJW-VRUMLPLGSA-N" ; chebi:mass "478.627" ; chebi:monoisotopicmass "478.29439" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@H]1CN(C)CC3=CC=CC(=C3)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103698" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103699 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H40N2O5S" ; chebi:inchi "InChI=1S/C26H40N2O5S/c1-19-15-28(20(2)18-29)34(30,31)26-9-8-23(22-6-4-5-7-22)14-24(26)33-25(19)17-27(3)16-21-10-12-32-13-11-21/h6,8-9,14,19-21,25,29H,4-5,7,10-13,15-18H2,1-3H3/t19-,20-,25+/m0/s1" ; chebi:inchikey "WLSSZJWPMNLWIC-ZYLNGJIFSA-N" ; chebi:mass "492.673" ; chebi:monoisotopicmass "492.26579" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)CC4CCOCC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103699" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4S,5S)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_1037 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17605 ; owl:deprecated true . obo:CHEBI_10370 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24111 ; rdfs:subClassOf obo:CHEBI_36233 ; chebi:charge "0" ; chebi:formula "C6H11O6R" ; chebi:mass "179.148" ; chebi:monoisotopicmass "179.05556" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10370" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-D-fructofuranoside" . obo:CHEBI_103700 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H38N2O4S" ; chebi:inchi "InChI=1S/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19+,23-/m0/s1" ; chebi:inchikey "GQEOHDGNFBZEER-YYDVJCTNSA-N" ; chebi:mass "450.637" ; chebi:monoisotopicmass "450.25523" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCCC3)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103700" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103701 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-19-16-32(20(2)18-33)28(35)24-14-23(22-7-5-4-6-8-22)15-30-27(24)36-25(19)17-31(3)26(34)13-21-9-11-29-12-10-21/h7,9-12,14-15,19-20,25,33H,4-6,8,13,16-18H2,1-3H3/t19-,20-,25+/m1/s1" ; chebi:inchikey "ZECMXSZSTQYLBY-FHAGJXEFSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@H]1CN(C)C(=O)CC4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103701" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(2R,3R)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide" . obo:CHEBI_103702 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H40N2O5S" ; chebi:inchi "InChI=1S/C26H40N2O5S/c1-19-15-28(20(2)18-29)34(30,31)26-9-8-23(22-6-4-5-7-22)14-24(26)33-25(19)17-27(3)16-21-10-12-32-13-11-21/h6,8-9,14,19-21,25,29H,4-5,7,10-13,15-18H2,1-3H3/t19-,20-,25-/m1/s1" ; chebi:inchikey "WLSSZJWPMNLWIC-UMEGOILYSA-N" ; chebi:mass "492.673" ; chebi:monoisotopicmass "492.26579" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)CC4CCOCC4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103702" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4R,5S)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103703 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H31FN4O3" ; chebi:inchi "InChI=1S/C29H31FN4O3/c1-20-16-34(21(2)19-35)29(36)26-13-24(7-6-22-5-4-12-31-14-22)15-32-28(26)37-27(20)18-33(3)17-23-8-10-25(30)11-9-23/h4-5,8-15,20-21,27,35H,16-19H2,1-3H3/t20-,21+,27+/m1/s1" ; chebi:inchikey "XTWZIVUPDNYJMX-BUEREQSYSA-N" ; chebi:mass "502.581" ; chebi:monoisotopicmass "502.23802" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103703" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103704 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H31FN4O3" ; chebi:inchi "InChI=1S/C29H31FN4O3/c1-20-16-34(21(2)19-35)29(36)26-13-24(7-6-22-5-4-12-31-14-22)15-32-28(26)37-27(20)18-33(3)17-23-8-10-25(30)11-9-23/h4-5,8-15,20-21,27,35H,16-19H2,1-3H3/t20-,21-,27-/m0/s1" ; chebi:inchikey "XTWZIVUPDNYJMX-IZVMNLJQSA-N" ; chebi:mass "502.581" ; chebi:monoisotopicmass "502.23802" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103704" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103705 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O4" ; chebi:inchi "InChI=1S/C31H47N3O4/c1-23-19-34(24(2)22-35)31(36)28-18-27(32(4)5)15-16-29(28)38-25(3)12-10-11-17-37-30(23)21-33(6)20-26-13-8-7-9-14-26/h7-9,13-16,18,23-25,30,35H,10-12,17,19-22H2,1-6H3/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "OPCOPDBCCFUTHV-FJRSXGRASA-N" ; chebi:mass "525.724" ; chebi:monoisotopicmass "525.35666" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103705" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_103706 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H49N3O5" ; chebi:inchi "InChI=1S/C30H49N3O5/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-29(35)24-12-7-6-8-13-24)14-15-27(26)38-23(3)11-9-10-16-37-28(21)19-32(4)5/h14-15,17,21-24,28,34H,6-13,16,18-20H2,1-5H3,(H,31,35)/t21-,22-,23-,28-/m1/s1" ; chebi:inchikey "VTJNXDUZLOWMHH-TZTMDHJLSA-N" ; chebi:mass "531.728" ; chebi:monoisotopicmass "531.36722" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103706" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103707 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H31FN4O3" ; chebi:inchi "InChI=1S/C29H31FN4O3/c1-20-16-34(21(2)19-35)29(36)26-13-24(7-6-22-5-4-12-31-14-22)15-32-28(26)37-27(20)18-33(3)17-23-8-10-25(30)11-9-23/h4-5,8-15,20-21,27,35H,16-19H2,1-3H3/t20-,21+,27+/m0/s1" ; chebi:inchikey "XTWZIVUPDNYJMX-FYQCMVGJSA-N" ; chebi:mass "502.581" ; chebi:monoisotopicmass "502.23802" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103707" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103708 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C28H39N5O4" ; chebi:inchi "InChI=1S/C28H39N5O4/c1-19-15-33(20(2)18-34)28(36)22-10-7-11-23(31-27(35)24-14-29-12-13-30-24)26(22)37-25(19)17-32(3)16-21-8-5-4-6-9-21/h7,10-14,19-21,25,34H,4-6,8-9,15-18H2,1-3H3,(H,31,35)/t19-,20+,25-/m1/s1" ; chebi:inchikey "QUBNYOYZPRCGDK-OHUGHZGNSA-N" ; chebi:mass "509.641" ; chebi:monoisotopicmass "509.30020" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@@H]1CN(C)CC4CCCCC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103708" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide" . obo:CHEBI_103709 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H49N3O5" ; chebi:inchi "InChI=1S/C30H49N3O5/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-29(35)24-12-7-6-8-13-24)14-15-27(26)38-23(3)11-9-10-16-37-28(21)19-32(4)5/h14-15,17,21-24,28,34H,6-13,16,18-20H2,1-5H3,(H,31,35)/t21-,22+,23-,28-/m0/s1" ; chebi:inchikey "VTJNXDUZLOWMHH-KYALDGGBSA-N" ; chebi:mass "531.728" ; chebi:monoisotopicmass "531.36722" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103709" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_10371 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28586 ; owl:deprecated true . obo:CHEBI_103710 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H48N4O5" ; chebi:inchi "InChI=1S/C35H48N4O5/c1-24-21-39(25(2)23-40)34(41)30-20-28(37(4)5)17-18-32(30)44-26(3)12-9-10-19-43-33(24)22-38(6)35(42)36-31-16-11-14-27-13-7-8-15-29(27)31/h7-8,11,13-18,20,24-26,33,40H,9-10,12,19,21-23H2,1-6H3,(H,36,42)/t24-,25+,26+,33-/m1/s1" ; chebi:inchikey "UBYZDEGPUXBRQE-PHAQOQMTSA-N" ; chebi:mass "604.781" ; chebi:monoisotopicmass "604.36247" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103710" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea" . obo:CHEBI_103711 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C27H35N3O4" ; chebi:inchi "InChI=1S/C27H35N3O4/c1-6-13-29(4)17-25-19(2)16-30(20(3)18-31)27(32)23-14-21(15-28-26(23)34-25)11-12-22-9-7-8-10-24(22)33-5/h7-10,14-15,19-20,25,31H,6,13,16-18H2,1-5H3/t19-,20+,25-/m0/s1" ; chebi:inchikey "CXNSNJNJSOSVDN-DFIYOIEZSA-N" ; chebi:mass "465.586" ; chebi:monoisotopicmass "465.26276" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(O1)N=CC(=C2)C#CC3=CC=CC=C3OC)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103711" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-[2-(2-methoxyphenyl)ethynyl]-3-methyl-2-[[methyl(propyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103712 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C20H30N4O3" ; chebi:inchi "InChI=1S/C20H30N4O3/c1-14-12-24(15(2)13-25)20(26)17-9-16(7-6-8-23(4)5)10-22-19(17)27-18(14)11-21-3/h9-10,14-15,18,21,25H,8,11-13H2,1-5H3/t14-,15+,18-/m0/s1" ; chebi:inchikey "QMNNXCXXHUAUDR-DAYGRLMNSA-N" ; chebi:mass "374.478" ; chebi:monoisotopicmass "374.23179" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@H]1CNC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103712" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103713 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S2" ; chebi:inchi "InChI=1S/C27H36N2O6S2/c1-19-9-12-24(13-10-19)36(31,32)28(4)17-26-20(2)16-29(21(3)18-30)37(33,34)27-14-11-23(15-25(27)35-26)22-7-5-6-8-22/h7,9-15,20-21,26,30H,5-6,8,16-18H2,1-4H3/t20-,21-,26-/m1/s1" ; chebi:inchikey "ZNXYRHHWSDGXHP-IPVFLDMMSA-N" ; chebi:mass "548.718" ; chebi:monoisotopicmass "548.20148" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103713" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_103714 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C21H26FN3O3" ; chebi:inchi "InChI=1S/C21H26FN3O3/c1-13-11-25(14(2)12-26)21(27)17-8-15(16-6-4-5-7-18(16)22)9-24-20(17)28-19(13)10-23-3/h4-9,13-14,19,23,26H,10-12H2,1-3H3/t13-,14-,19-/m1/s1" ; chebi:inchikey "SHRVDEFCKQVYRH-PJIJBLCYSA-N" ; chebi:mass "387.449" ; chebi:monoisotopicmass "387.19582" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3F)O[C@@H]1CNC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103714" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R)-8-(2-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103715 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-19-15-31(20(2)18-32)28(33)25-13-23(22-10-7-11-24(12-22)34-4)14-29-27(25)35-26(19)17-30(3)16-21-8-5-6-9-21/h7,10-14,19-21,26,32H,5-6,8-9,15-18H2,1-4H3/t19-,20-,26+/m0/s1" ; chebi:inchikey "IDUFABHFDSGNRC-CUVVAGTFSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC(=CC=C3)OC)O[C@@H]1CN(C)CC4CCCC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103715" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103716 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C21H26FN3O3" ; chebi:inchi "InChI=1S/C21H26FN3O3/c1-13-11-25(14(2)12-26)21(27)17-8-15(16-6-4-5-7-18(16)22)9-24-20(17)28-19(13)10-23-3/h4-9,13-14,19,23,26H,10-12H2,1-3H3/t13-,14-,19-/m0/s1" ; chebi:inchikey "SHRVDEFCKQVYRH-NJSLBKSFSA-N" ; chebi:mass "387.449" ; chebi:monoisotopicmass "387.19582" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3F)O[C@H]1CNC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103716" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-8-(2-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103717 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H54N4O5" ; chebi:inchi "InChI=1S/C35H54N4O5/c1-26-22-39(27(2)25-40)35(42)31-21-30(36-34(41)16-12-19-37(4)5)17-18-32(31)44-28(3)13-10-11-20-43-33(26)24-38(6)23-29-14-8-7-9-15-29/h7-9,14-15,17-18,21,26-28,33,40H,10-13,16,19-20,22-25H2,1-6H3,(H,36,41)/t26-,27+,28-,33-/m1/s1" ; chebi:inchikey "YHPMBPSGDQLXHP-LSBIRFPWSA-N" ; chebi:mass "610.828" ; chebi:monoisotopicmass "610.40942" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103717" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103718 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C25H23N3OS" ; chebi:inchi "InChI=1S/C25H23N3OS/c26-14-22-24(20-12-10-18(11-13-20)17-6-4-5-7-17)23(15-29)28(22)25-27-21(16-30-25)19-8-2-1-3-9-19/h1-3,6,8-13,16,22-24,29H,4-5,7,15H2/t22-,23+,24-/m1/s1" ; chebi:inchikey "YWUOOJZCEOJKLU-TZRRMPRUSA-N" ; chebi:mass "413.537" ; chebi:monoisotopicmass "413.15618" ; chebi:smiles "C1CC=C(C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@@H]3C#N)C4=NC(=CS4)C5=CC=CC=C5)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103718" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile" . obo:CHEBI_103719 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H37N3O4S" ; chebi:inchi "InChI=1S/C28H37N3O4S/c1-21-17-31(22(2)20-32)36(33,34)28-13-12-23(10-11-24-9-6-14-29-16-24)15-26(28)35-27(21)19-30(3)18-25-7-4-5-8-25/h6,9,12-16,21-22,25,27,32H,4-5,7-8,17-20H2,1-3H3/t21-,22+,27+/m1/s1" ; chebi:inchikey "VXDFRUAWHFSTRR-VHSZZVNMSA-N" ; chebi:mass "511.678" ; chebi:monoisotopicmass "511.25048" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)CC4CCCC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103719" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4R,5R)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_10372 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28782 ; owl:deprecated true . obo:CHEBI_103720 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H31F2N3O3" ; chebi:inchi "InChI=1S/C28H31F2N3O3/c1-18-14-33(19(2)17-34)28(35)24-12-21(23-9-4-5-10-25(23)30)13-31-27(24)36-26(18)16-32(3)15-20-7-6-8-22(29)11-20/h4-13,18-19,26,34H,14-17H2,1-3H3/t18-,19-,26+/m0/s1" ; chebi:inchikey "NAZKFJIDOIPBCY-LZJCXSABSA-N" ; chebi:mass "495.562" ; chebi:monoisotopicmass "495.23335" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3F)O[C@@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103720" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103721 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H40N2O6S" ; chebi:inchi "InChI=1S/C27H40N2O6S/c1-19-16-29(20(2)18-30)36(32,33)26-10-9-23(21-7-5-4-6-8-21)15-24(26)35-25(19)17-28(3)27(31)22-11-13-34-14-12-22/h7,9-10,15,19-20,22,25,30H,4-6,8,11-14,16-18H2,1-3H3/t19-,20-,25+/m1/s1" ; chebi:inchikey "QGQQAQHDJARTFG-FHAGJXEFSA-N" ; chebi:mass "520.683" ; chebi:monoisotopicmass "520.26071" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@H]1CN(C)C(=O)C4CCOCC4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103721" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_103722 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H42N4O7" ; chebi:inchi "InChI=1S/C30H42N4O7/c1-19-16-34(20(2)17-35)29(36)24-13-22(32-30(37)33-23-9-11-26-27(14-23)40-18-39-26)8-10-25(24)41-21(3)7-5-6-12-38-28(19)15-31-4/h8-11,13-14,19-21,28,31,35H,5-7,12,15-18H2,1-4H3,(H2,32,33,37)/t19-,20-,21-,28+/m1/s1" ; chebi:inchikey "DZFCVSNNMFSZPA-MJXLQBTOSA-N" ; chebi:mass "570.678" ; chebi:monoisotopicmass "570.30535" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103722" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_103723 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-19-16-32(20(2)18-33)28(35)24-14-23(22-7-5-4-6-8-22)15-30-27(24)36-25(19)17-31(3)26(34)13-21-9-11-29-12-10-21/h7,9-12,14-15,19-20,25,33H,4-6,8,13,16-18H2,1-3H3/t19-,20-,25-/m1/s1" ; chebi:inchikey "ZECMXSZSTQYLBY-UMEGOILYSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@@H]1CN(C)C(=O)CC4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103723" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide" . obo:CHEBI_103724 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-19-16-32(20(2)18-33)28(35)24-14-23(22-7-5-4-6-8-22)15-30-27(24)36-25(19)17-31(3)26(34)13-21-9-11-29-12-10-21/h7,9-12,14-15,19-20,25,33H,4-6,8,13,16-18H2,1-3H3/t19-,20+,25+/m1/s1" ; chebi:inchikey "ZECMXSZSTQYLBY-RNHFSVANSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@H]1CN(C)C(=O)CC4=CC=NC=C4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103724" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(2R,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide" . obo:CHEBI_103725 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H31FN4O3" ; chebi:inchi "InChI=1S/C29H31FN4O3/c1-20-16-34(21(2)19-35)29(36)26-13-24(7-6-22-5-4-12-31-14-22)15-32-28(26)37-27(20)18-33(3)17-23-8-10-25(30)11-9-23/h4-5,8-15,20-21,27,35H,16-19H2,1-3H3/t20-,21-,27+/m1/s1" ; chebi:inchikey "XTWZIVUPDNYJMX-GNMOFYLKSA-N" ; chebi:mass "502.581" ; chebi:monoisotopicmass "502.23802" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103725" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103726 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H31F2N3O3" ; chebi:inchi "InChI=1S/C28H31F2N3O3/c1-18-14-33(19(2)17-34)28(35)24-12-21(23-9-4-5-10-25(23)30)13-31-27(24)36-26(18)16-32(3)15-20-7-6-8-22(29)11-20/h4-13,18-19,26,34H,14-17H2,1-3H3/t18-,19-,26+/m1/s1" ; chebi:inchikey "NAZKFJIDOIPBCY-UDCNLSRBSA-N" ; chebi:mass "495.562" ; chebi:monoisotopicmass "495.23335" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3F)O[C@H]1CN(C)CC4=CC(=CC=C4)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103726" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103727 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H38N2O4S" ; chebi:inchi "InChI=1S/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19-,23-/m1/s1" ; chebi:inchikey "GQEOHDGNFBZEER-DNVFCKCGSA-N" ; chebi:mass "450.637" ; chebi:monoisotopicmass "450.25523" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCCC3)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103727" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4R,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103728 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H47N3O5" ; chebi:inchi "InChI=1S/C29H47N3O5/c1-20-18-32(21(2)19-33)29(35)25-16-24(31-28(34)23-11-6-5-7-12-23)13-14-26(25)37-22(3)10-8-9-15-36-27(20)17-30-4/h13-14,16,20-23,27,30,33H,5-12,15,17-19H2,1-4H3,(H,31,34)/t20-,21+,22+,27+/m0/s1" ; chebi:inchikey "JMPHEZKYQLUQMM-HRGDABNKSA-N" ; chebi:mass "517.702" ; chebi:monoisotopicmass "517.35157" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103728" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103729 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "RSKGZFLSRBPJST-RZDWVWPCSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103729" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_10373 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28645 ; owl:deprecated true . obo:CHEBI_103730 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; chebi:charge "0" ; chebi:formula "C30H38N4O4" ; chebi:inchi "InChI=1S/C30H38N4O4/c1-20-17-34(21(2)19-35)29(36)16-23-15-24(32(3)4)13-14-27(23)38-28(20)18-33(5)30(37)31-26-12-8-10-22-9-6-7-11-25(22)26/h6-15,20-21,28,35H,16-19H2,1-5H3,(H,31,37)/t20-,21+,28-/m1/s1" ; chebi:inchikey "LGBCOYKUVBENAF-PHVLTXCSSA-N" ; chebi:mass "518.648" ; chebi:monoisotopicmass "518.28931" ; chebi:smiles "C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC3=CC=CC4=CC=CC=C43)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103730" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea" . obo:CHEBI_103731 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H50N4O5" ; chebi:inchi "InChI=1S/C33H50N4O5/c1-23(2)34-33(40)35-28-15-16-30-29(18-28)32(39)37(25(4)22-38)19-24(3)31(41-17-11-10-12-26(5)42-30)21-36(6)20-27-13-8-7-9-14-27/h7-9,13-16,18,23-26,31,38H,10-12,17,19-22H2,1-6H3,(H2,34,35,40)/t24-,25+,26-,31-/m0/s1" ; chebi:inchikey "SIHQACFNVCTPOW-XZSHTLEFSA-N" ; chebi:mass "582.775" ; chebi:monoisotopicmass "582.37812" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103731" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103732 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)35-27-15-16-29-28(18-27)32(40)37(24(4)21-38)19-23(3)30(42-17-11-10-12-25(5)43-29)20-36(6)31(39)26-13-8-7-9-14-26/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H2,34,35,41)/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "KOPUKDVKYXJRIR-SODQHWRNSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103732" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide" . obo:CHEBI_103733 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23665 ; rdfs:subClassOf obo:CHEBI_50996 ; chebi:charge "0" ; chebi:formula "C26H42N4O4" ; chebi:inchi "InChI=1S/C26H42N4O4/c1-18-15-30(19(2)17-31)25(32)14-20-13-22(28(3)4)11-12-23(20)34-24(18)16-29(5)26(33)27-21-9-7-6-8-10-21/h11-13,18-19,21,24,31H,6-10,14-17H2,1-5H3,(H,27,33)/t18-,19+,24-/m1/s1" ; chebi:inchikey "NUQLUNTVVQHOLK-YDIMBITNSA-N" ; chebi:mass "474.637" ; chebi:monoisotopicmass "474.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC3CCCCC3)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103733" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea" . obo:CHEBI_103734 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H36N4O4" ; chebi:inchi "InChI=1S/C26H36N4O4/c1-18-15-30(19(2)17-31)25(32)14-20-13-22(28(3)4)11-12-23(20)34-24(18)16-29(5)26(33)27-21-9-7-6-8-10-21/h6-13,18-19,24,31H,14-17H2,1-5H3,(H,27,33)/t18-,19-,24-/m1/s1" ; chebi:inchikey "QJWSWWKQIHLYJD-KHCICDEESA-N" ; chebi:mass "468.589" ; chebi:monoisotopicmass "468.27366" ; chebi:smiles "C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC3=CC=CC=C3)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103734" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103735 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23665 ; rdfs:subClassOf obo:CHEBI_50996 ; chebi:charge "0" ; chebi:formula "C23H33N3O5S2" ; chebi:inchi "InChI=1S/C23H33N3O5S2/c1-16-13-26(17(2)15-27)22(28)12-18-11-19(24(3)4)8-9-20(18)31-21(16)14-25(5)33(29,30)23-7-6-10-32-23/h6-11,16-17,21,27H,12-15H2,1-5H3/t16-,17+,21-/m1/s1" ; chebi:inchikey "AXGDQZYYEHOPOR-LLGFUMIMSA-N" ; chebi:mass "495.658" ; chebi:monoisotopicmass "495.18616" ; chebi:smiles "C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CC=CS3)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103735" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide" . obo:CHEBI_103736 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H35F3N4O4" ; chebi:inchi "InChI=1S/C27H35F3N4O4/c1-17-14-34(18(2)16-35)25(36)13-19-12-22(32(3)4)10-11-23(19)38-24(17)15-33(5)26(37)31-21-8-6-20(7-9-21)27(28,29)30/h6-12,17-18,24,35H,13-16H2,1-5H3,(H,31,37)/t17-,18-,24-/m1/s1" ; chebi:inchikey "HTAOZDWNFXTPJO-QZTZHPFYSA-N" ; chebi:mass "536.587" ; chebi:monoisotopicmass "536.26104" ; chebi:smiles "C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103736" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_103737 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C35H43N5O5" ; chebi:inchi "InChI=1S/C35H43N5O5/c1-22-18-40(23(2)21-41)33(42)17-27-16-28(37-34(43)26-12-13-26)14-15-31(27)45-32(22)20-39(3)19-24-8-10-25(11-9-24)35(44)38-30-7-5-4-6-29(30)36/h4-11,14-16,22-23,26,32,41H,12-13,17-21,36H2,1-3H3,(H,37,43)(H,38,44)/t22-,23+,32-/m1/s1" ; chebi:inchikey "YCMQTTLPFMFYTR-MEYXWREJSA-N" ; chebi:mass "613.748" ; chebi:monoisotopicmass "613.32642" ; chebi:smiles "C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103737" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2-aminophenyl)-4-[[[(2S,3R)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide" . obo:CHEBI_103738 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H35N5O6" ; chebi:inchi "InChI=1S/C24H35N5O6/c1-17-13-28(18(2)15-30)23(31)6-5-11-29-19(12-25-26-29)16-34-22(17)14-27(3)24(32)35-21-9-7-20(33-4)8-10-21/h7-10,12,17-18,22,30H,5-6,11,13-16H2,1-4H3/t17-,18-,22-/m1/s1" ; chebi:inchikey "DYYSINDAYMXOAQ-JBYIUTFZSA-N" ; chebi:mass "489.566" ; chebi:monoisotopicmass "489.25873" ; chebi:smiles "C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)OC3=CC=C(C=C3)OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103738" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcarbamic acid (4-methoxyphenyl) ester" . obo:CHEBI_103739 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N5O5" ; chebi:inchi "InChI=1S/C25H37N5O5/c1-18-13-29(19(2)16-31)25(32)5-4-8-30-21(12-26-27-30)17-35-24(18)15-28(3)14-20-6-7-22-23(11-20)34-10-9-33-22/h6-7,11-12,18-19,24,31H,4-5,8-10,13-17H2,1-3H3/t18-,19-,24+/m1/s1" ; chebi:inchikey "KKGFASYBCNAVFA-IECBHUPTSA-N" ; chebi:mass "487.593" ; chebi:monoisotopicmass "487.27947" ; chebi:smiles "C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)CC3=CC4=C(C=C3)OCCO4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103739" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(8R,9R)-9-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one" . obo:CHEBI_10374 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28013 ; owl:deprecated true . obo:CHEBI_103740 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N5O4" ; chebi:inchi "InChI=1S/C23H35N5O4/c1-17-12-27(18(2)15-29)23(31)5-4-10-28-20(11-24-25-28)16-32-22(17)14-26(3)13-19-6-8-21(30)9-7-19/h6-9,11,17-18,22,29-30H,4-5,10,12-16H2,1-3H3/t17-,18-,22-/m1/s1" ; chebi:inchikey "QPXXSBPXMIWUTR-JBYIUTFZSA-N" ; chebi:mass "445.556" ; chebi:monoisotopicmass "445.26890" ; chebi:smiles "C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC=C(C=C3)O)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103740" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(8R,9S)-9-[[(4-hydroxyphenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one" . obo:CHEBI_103741 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C28H43N3O4" ; chebi:inchi "InChI=1S/C28H43N3O4/c1-19-15-31(20(2)18-32)27(33)14-23-13-24(29-28(34)22-7-5-4-6-8-22)11-12-25(23)35-26(19)17-30(3)16-21-9-10-21/h11-13,19-22,26,32H,4-10,14-18H2,1-3H3,(H,29,34)/t19-,20+,26+/m1/s1" ; chebi:inchikey "OICFVEIUUNSOQD-GOHWNWGWSA-N" ; chebi:mass "485.660" ; chebi:monoisotopicmass "485.32536" ; chebi:smiles "C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CCCCC3)O[C@H]1CN(C)CC4CC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103741" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide" . obo:CHEBI_103742 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-17-12-31(18(2)15-32)28(34)22-11-21(29-27(33)20-5-6-20)7-9-23(22)37-26(17)14-30(3)13-19-4-8-24-25(10-19)36-16-35-24/h4,7-11,17-18,20,26,32H,5-6,12-16H2,1-3H3,(H,29,33)/t17-,18+,26+/m1/s1" ; chebi:inchikey "BTLFULALILTTIG-ZENTWMBTSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103742" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide" . obo:CHEBI_103743 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24828 ; chebi:charge "0" ; chebi:formula "C28H36N4O6S" ; chebi:inchi "InChI=1S/C28H36N4O6S/c1-18-14-32(19(2)17-33)28(35)23-13-21(10-11-25(23)38-26(18)16-31(4)39(5,36)37)29-27(34)12-20-15-30(3)24-9-7-6-8-22(20)24/h6-11,13,15,18-19,26,33H,12,14,16-17H2,1-5H3,(H,29,34)/t18-,19+,26+/m1/s1" ; chebi:inchikey "VGRSZYTVZUQTAY-MVYHEMRASA-N" ; chebi:mass "556.676" ; chebi:monoisotopicmass "556.23556" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CN(C4=CC=CC=C43)C)O[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103743" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide" . obo:CHEBI_103744 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H38N4O7" ; chebi:inchi "InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21+,30-/m0/s1" ; chebi:inchikey "NGRSXEMLDRQNMH-NOUQMAPCSA-N" ; chebi:mass "590.668" ; chebi:monoisotopicmass "590.27405" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103744" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_103745 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H38N4O7" ; chebi:inchi "InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21+,30+/m0/s1" ; chebi:inchikey "NGRSXEMLDRQNMH-KSWJDTNCSA-N" ; chebi:mass "590.668" ; chebi:monoisotopicmass "590.27405" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103745" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_103746 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H38N4O7" ; chebi:inchi "InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21-,30+/m0/s1" ; chebi:inchikey "NGRSXEMLDRQNMH-FNFPNEPISA-N" ; chebi:mass "590.668" ; chebi:monoisotopicmass "590.27405" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103746" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_103747 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H38N4O7" ; chebi:inchi "InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21-,30-/m1/s1" ; chebi:inchikey "NGRSXEMLDRQNMH-URCPOSBSSA-N" ; chebi:mass "590.668" ; chebi:monoisotopicmass "590.27405" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103747" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_103748 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H38N4O7" ; chebi:inchi "InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21-,30-/m0/s1" ; chebi:inchikey "NGRSXEMLDRQNMH-LPBFERMMSA-N" ; chebi:mass "590.668" ; chebi:monoisotopicmass "590.27405" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103748" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_103749 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H40N2O4S" ; chebi:inchi "InChI=1S/C26H40N2O4S/c1-5-15-27(4)18-25-20(2)17-28(21(3)19-29)33(30,31)26-14-13-23(16-24(26)32-25)12-8-11-22-9-6-7-10-22/h13-14,16,20-22,25,29H,5-7,9-11,15,17-19H2,1-4H3/t20-,21+,25+/m0/s1" ; chebi:inchikey "LJUASEIATGHWBE-BPYKYCOYSA-N" ; chebi:mass "476.674" ; chebi:monoisotopicmass "476.27088" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C#CCC3CCCC3)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103749" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4S,5S)-8-(3-cyclopentylprop-1-ynyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_10375 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16084 ; owl:deprecated true . obo:CHEBI_103750 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26799 ; chebi:charge "0" ; chebi:formula "C25H38N2O5S" ; chebi:inchi "InChI=1S/C25H38N2O5S/c1-5-9-20-12-13-24-22(14-20)32-23(16-26(4)25(29)21-10-7-6-8-11-21)18(2)15-27(19(3)17-28)33(24,30)31/h5,9,12-14,18-19,21,23,28H,6-8,10-11,15-17H2,1-4H3/t18-,19+,23-/m1/s1" ; chebi:inchikey "DIUXSDCPAZQGFR-SELNLUPBSA-N" ; chebi:mass "478.647" ; chebi:monoisotopicmass "478.25014" ; chebi:smiles "CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@H]([C@H](O2)CN(C)C(=O)C3CCCCC3)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103750" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15094" . obo:CHEBI_103751 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H47FN4O5" ; chebi:inchi "InChI=1S/C33H47FN4O5/c1-22-18-38(23(2)21-39)32(40)29-17-28(36-33(41)35-27-12-10-26(34)11-13-27)14-15-30(29)43-24(3)7-5-6-16-42-31(22)20-37(4)19-25-8-9-25/h10-15,17,22-25,31,39H,5-9,16,18-21H2,1-4H3,(H2,35,36,41)/t22-,23+,24-,31-/m1/s1" ; chebi:inchikey "STYUMYTXFXXJJW-UMLQYNHOSA-N" ; chebi:mass "598.750" ; chebi:monoisotopicmass "598.35305" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103751" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea" . obo:CHEBI_103752 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H42N4O7" ; chebi:inchi "InChI=1S/C30H42N4O7/c1-19-16-34(20(2)17-35)29(36)24-13-22(32-30(37)33-23-9-11-26-27(14-23)40-18-39-26)8-10-25(24)41-21(3)7-5-6-12-38-28(19)15-31-4/h8-11,13-14,19-21,28,31,35H,5-7,12,15-18H2,1-4H3,(H2,32,33,37)/t19-,20-,21-,28+/m0/s1" ; chebi:inchikey "DZFCVSNNMFSZPA-MLWROCFZSA-N" ; chebi:mass "570.678" ; chebi:monoisotopicmass "570.30535" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103752" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_103753 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34F3N5O3" ; chebi:inchi "InChI=1S/C24H34F3N5O3/c1-17-12-31(18(2)15-33)23(34)5-4-10-32-21(11-28-29-32)16-35-22(17)14-30(3)13-19-6-8-20(9-7-19)24(25,26)27/h6-9,11,17-18,22,33H,4-5,10,12-16H2,1-3H3/t17-,18+,22+/m1/s1" ; chebi:inchikey "DMKVVNQLOZTLAB-FGSXEWAUSA-N" ; chebi:mass "497.555" ; chebi:monoisotopicmass "497.26137" ; chebi:smiles "C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)CC3=CC=C(C=C3)C(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103753" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one" . obo:CHEBI_103754 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H52N4O6" ; chebi:inchi "InChI=1S/C34H52N4O6/c1-23(2)35-34(41)36-28-13-16-31-30(18-28)33(40)38(25(4)22-39)19-24(3)32(43-17-9-8-10-26(5)44-31)21-37(6)20-27-11-14-29(42-7)15-12-27/h11-16,18,23-26,32,39H,8-10,17,19-22H2,1-7H3,(H2,35,36,41)/t24-,25+,26-,32+/m0/s1" ; chebi:inchikey "JCVAFPCEYZSYDX-ZVJSOJQNSA-N" ; chebi:mass "612.801" ; chebi:monoisotopicmass "612.38869" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103754" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103755 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H32FN3O4S" ; chebi:inchi "InChI=1S/C29H32FN3O4S/c1-20-16-33(21(2)19-34)38(35,36)29-12-11-25(24-9-7-22(15-31)8-10-24)14-27(29)37-28(20)18-32(3)17-23-5-4-6-26(30)13-23/h4-14,20-21,28,34H,16-19H2,1-3H3/t20-,21+,28-/m1/s1" ; chebi:inchikey "PEEJAUXHJGOSQX-PHVLTXCSSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.20976" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)O[C@@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103755" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4R,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103756 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26799 ; chebi:charge "0" ; chebi:formula "C18H28N2O4S" ; chebi:inchi "InChI=1S/C18H28N2O4S/c1-5-6-15-7-8-18-16(9-15)24-17(10-19-4)13(2)11-20(14(3)12-21)25(18,22)23/h5-9,13-14,17,19,21H,10-12H2,1-4H3/t13-,14+,17+/m0/s1" ; chebi:inchikey "NUVSEORICCJOQH-JJRVBVJISA-N" ; chebi:mass "368.493" ; chebi:monoisotopicmass "368.17698" ; chebi:smiles "CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@@H]([C@H](O2)CNC)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103756" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15100" . obo:CHEBI_103757 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H48N4O5" ; chebi:inchi "InChI=1S/C36H48N4O5/c1-26-22-40(27(2)25-41)36(43)32-21-31(38-35(42)20-29-11-6-5-7-12-29)13-14-33(32)45-28(3)10-8-9-19-44-34(26)24-39(4)23-30-15-17-37-18-16-30/h5-7,11-18,21,26-28,34,41H,8-10,19-20,22-25H2,1-4H3,(H,38,42)/t26-,27-,28+,34+/m1/s1" ; chebi:inchikey "NYAGJJIVOVZRJD-UYICUSKSSA-N" ; chebi:mass "616.791" ; chebi:monoisotopicmass "616.36247" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103757" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103758 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H27F3N4O5" ; chebi:inchi "InChI=1S/C28H27F3N4O5/c29-28(30,31)16-4-6-17(7-5-16)34-27(38)35-18-8-9-23-21(11-18)22-12-20(39-24(15-36)26(22)40-23)13-25(37)33-14-19-3-1-2-10-32-19/h1-11,20,22,24,26,36H,12-15H2,(H,33,37)(H2,34,35,38)/t20-,22+,24+,26-/m1/s1" ; chebi:inchikey "NNNMMCMDOXLHLD-GRTAZNFBSA-N" ; chebi:mass "556.534" ; chebi:monoisotopicmass "556.19335" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103758" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_103759 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H42N4O5" ; chebi:inchi "InChI=1S/C29H42N4O5/c1-20-18-33(21(2)19-34)28(35)25-16-24(32-29(36)31-23-11-6-5-7-12-23)13-14-26(25)38-22(3)10-8-9-15-37-27(20)17-30-4/h5-7,11-14,16,20-22,27,30,34H,8-10,15,17-19H2,1-4H3,(H2,31,32,36)/t20-,21-,22-,27+/m0/s1" ; chebi:inchikey "HNFJEPMYRFFBAZ-GHIUXRNCSA-N" ; chebi:mass "526.669" ; chebi:monoisotopicmass "526.31552" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103759" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_10376 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27442 ; owl:deprecated true . obo:CHEBI_103760 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H32FN3O4S" ; chebi:inchi "InChI=1S/C29H32FN3O4S/c1-20-16-33(21(2)19-34)38(35,36)29-12-11-25(24-9-7-22(15-31)8-10-24)14-27(29)37-28(20)18-32(3)17-23-5-4-6-26(30)13-23/h4-14,20-21,28,34H,16-19H2,1-3H3/t20-,21-,28-/m1/s1" ; chebi:inchikey "PEEJAUXHJGOSQX-UMQWNRPGSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.20976" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)O[C@@H]1CN(C)CC4=CC(=CC=C4)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103760" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4R,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103761 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H30N4O5" ; chebi:inchi "InChI=1S/C24H30N4O5/c1-28(2)13-23(31)27-16-3-4-20-18(9-16)19-10-17(32-21(14-29)24(19)33-20)11-22(30)26-12-15-5-7-25-8-6-15/h3-9,17,19,21,24,29H,10-14H2,1-2H3,(H,26,30)(H,27,31)/t17-,19-,21+,24+/m0/s1" ; chebi:inchikey "AXSMPGQCOGKKGU-NOOBJOLFSA-N" ; chebi:mass "454.520" ; chebi:monoisotopicmass "454.22162" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103761" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide" . obo:CHEBI_103762 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C25H33N3O4S" ; chebi:inchi "InChI=1S/C25H33N3O4S/c1-5-12-27(4)16-24-18(2)15-28(19(3)17-29)33(30,31)25-11-10-22(13-23(25)32-24)21-8-6-20(14-26)7-9-21/h6-11,13,18-19,24,29H,5,12,15-17H2,1-4H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "MGOWLZBQMGKWLP-YDIMBITNSA-N" ; chebi:mass "471.614" ; chebi:monoisotopicmass "471.21918" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C#N)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103762" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103763 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H40N2O4S" ; chebi:inchi "InChI=1S/C26H40N2O4S/c1-5-15-27(4)18-25-20(2)17-28(21(3)19-29)33(30,31)26-14-13-23(16-24(26)32-25)12-8-11-22-9-6-7-10-22/h13-14,16,20-22,25,29H,5-7,9-11,15,17-19H2,1-4H3/t20-,21+,25-/m0/s1" ; chebi:inchikey "LJUASEIATGHWBE-BKSPAHHJSA-N" ; chebi:mass "476.674" ; chebi:monoisotopicmass "476.27088" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C#CCC3CCCC3)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103763" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4S,5R)-8-(3-cyclopentylprop-1-ynyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103764 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S2" ; chebi:inchi "InChI=1S/C27H36N2O6S2/c1-19-9-12-24(13-10-19)36(31,32)28(4)17-26-20(2)16-29(21(3)18-30)37(33,34)27-14-11-23(15-25(27)35-26)22-7-5-6-8-22/h7,9-15,20-21,26,30H,5-6,8,16-18H2,1-4H3/t20-,21+,26-/m0/s1" ; chebi:inchikey "ZNXYRHHWSDGXHP-UZINWLIJSA-N" ; chebi:mass "548.718" ; chebi:monoisotopicmass "548.20148" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103764" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_103765 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C25H33N3O4S" ; chebi:inchi "InChI=1S/C25H33N3O4S/c1-5-12-27(4)16-24-18(2)15-28(19(3)17-29)33(30,31)25-11-10-22(13-23(25)32-24)21-8-6-20(14-26)7-9-21/h6-11,13,18-19,24,29H,5,12,15-17H2,1-4H3/t18-,19-,24-/m0/s1" ; chebi:inchikey "MGOWLZBQMGKWLP-JXQFQVJHSA-N" ; chebi:mass "471.614" ; chebi:monoisotopicmass "471.21918" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C#N)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103765" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103766 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H27F3N4O5" ; chebi:inchi "InChI=1S/C28H27F3N4O5/c29-28(30,31)16-4-6-17(7-5-16)34-27(38)35-18-8-9-23-21(11-18)22-12-20(39-24(15-36)26(22)40-23)13-25(37)33-14-19-3-1-2-10-32-19/h1-11,20,22,24,26,36H,12-15H2,(H,33,37)(H2,34,35,38)/t20-,22-,24-,26+/m1/s1" ; chebi:inchikey "NNNMMCMDOXLHLD-DFICYWPVSA-N" ; chebi:mass "556.534" ; chebi:monoisotopicmass "556.19335" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103766" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_103767 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H43F3N4O5" ; chebi:inchi "InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21-,22-,28+/m1/s1" ; chebi:inchikey "GMYAYTAKTSTYEI-KUMFRPPMSA-N" ; chebi:mass "608.693" ; chebi:monoisotopicmass "608.31855" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103767" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_103768 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H32F3N3O8S" ; chebi:inchi "InChI=1S/C27H32F3N3O8S/c1-16-11-33(25(34)18-5-8-21-23(9-18)41-15-40-21)17(2)13-39-22-10-19(31-42(36,37)14-27(28,29)30)6-7-20(22)26(35)32(3)12-24(16)38-4/h5-10,16-17,24,31H,11-15H2,1-4H3/t16-,17-,24-/m1/s1" ; chebi:inchikey "IFTYRDLVJFCQIR-HOZJOUCCSA-N" ; chebi:mass "615.621" ; chebi:monoisotopicmass "615.18622" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103768" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide" . obo:CHEBI_103769 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H35F2N3O5S" ; chebi:inchi "InChI=1S/C29H35F2N3O5S/c1-19-16-34(20(2)18-35)40(37,38)28-13-10-22(9-8-21-6-4-5-7-21)14-26(28)39-27(19)17-33(3)29(36)32-25-15-23(30)11-12-24(25)31/h10-15,19-21,27,35H,4-7,16-18H2,1-3H3,(H,32,36)/t19-,20-,27+/m0/s1" ; chebi:inchikey "CROBQSVNIOLQSN-OWOAZTCBSA-N" ; chebi:mass "575.669" ; chebi:monoisotopicmass "575.22655" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CCCC3)O[C@@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103769" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(4S,5S)-8-(2-cyclopentylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea" . obo:CHEBI_10377 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28419 ; owl:deprecated true . obo:CHEBI_103770 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H33FN4O4" ; chebi:inchi "InChI=1S/C27H33FN4O4/c1-5-6-7-9-20-12-23-25(29-14-20)36-24(18(2)15-32(26(23)34)19(3)17-33)16-31(4)27(35)30-22-11-8-10-21(28)13-22/h8,10-14,18-19,24,33H,5-6,15-17H2,1-4H3,(H,30,35)/t18-,19+,24+/m1/s1" ; chebi:inchikey "QSIOMQGNLKPVMQ-IMWIBFENSA-N" ; chebi:mass "496.575" ; chebi:monoisotopicmass "496.24858" ; chebi:smiles "CCCC#CC1=CC2=C(N=C1)O[C@H]([C@@H](CN(C2=O)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103770" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(3-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea" . obo:CHEBI_103771 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N3O6S" ; chebi:inchi "InChI=1S/C30H51N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h14-15,17,22-25,29,31,34H,6-13,16,18-21H2,1-5H3/t22-,23+,24-,29+/m1/s1" ; chebi:inchikey "MOSVBDAIGOGSPE-HZTMJRFTSA-N" ; chebi:mass "581.810" ; chebi:monoisotopicmass "581.34986" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103771" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_103772 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H41FN4O5" ; chebi:inchi "InChI=1S/C29H41FN4O5/c1-19-17-34(20(2)18-35)28(36)25-15-24(33-29(37)32-23-10-8-22(30)9-11-23)12-13-26(25)39-21(3)7-5-6-14-38-27(19)16-31-4/h8-13,15,19-21,27,31,35H,5-7,14,16-18H2,1-4H3,(H2,32,33,37)/t19-,20-,21-,27-/m0/s1" ; chebi:inchikey "QNMRQELCDYNENZ-RFACUBCZSA-N" ; chebi:mass "544.659" ; chebi:monoisotopicmass "544.30610" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103772" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-fluorophenyl)-3-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_103773 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H30F3N3O5" ; chebi:inchi "InChI=1S/C30H30F3N3O5/c31-30(32,33)19-6-8-20(9-7-19)35-29(39)36-21-10-11-25-23(14-21)24-15-22(40-26(17-37)28(24)41-25)16-27(38)34-13-12-18-4-2-1-3-5-18/h1-11,14,22,24,26,28,37H,12-13,15-17H2,(H,34,38)(H2,35,36,39)/t22-,24-,26-,28+/m0/s1" ; chebi:inchikey "HHORGFBYQNPTJA-AJWNWGNMSA-N" ; chebi:mass "569.573" ; chebi:monoisotopicmass "569.21376" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103773" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_103774 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S2" ; chebi:inchi "InChI=1S/C27H36N2O6S2/c1-19-9-12-24(13-10-19)36(31,32)28(4)17-26-20(2)16-29(21(3)18-30)37(33,34)27-14-11-23(15-25(27)35-26)22-7-5-6-8-22/h7,9-15,20-21,26,30H,5-6,8,16-18H2,1-4H3/t20-,21+,26+/m1/s1" ; chebi:inchikey "ZNXYRHHWSDGXHP-SWYRRKHMSA-N" ; chebi:mass "548.718" ; chebi:monoisotopicmass "548.20148" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103774" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_103775 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N7O5" ; chebi:inchi "InChI=1S/C28H37N7O5/c1-20-16-34(21(2)18-36)27(37)11-7-13-35-23(15-30-32-35)19-39-25(20)17-33(3)28(38)31-22-8-6-9-24(14-22)40-26-10-4-5-12-29-26/h4-6,8-10,12,14-15,20-21,25,36H,7,11,13,16-19H2,1-3H3,(H,31,38)/t20-,21-,25-/m0/s1" ; chebi:inchikey "GHLJLHKVBJDFKH-WATLYSKOSA-N" ; chebi:mass "551.638" ; chebi:monoisotopicmass "551.28562" ; chebi:smiles "C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)C(=O)NC3=CC(=CC=C3)OC4=CC=CC=N4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103775" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[3-(2-pyridinyloxy)phenyl]urea" . obo:CHEBI_103776 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H33FN4O4" ; chebi:inchi "InChI=1S/C27H33FN4O4/c1-5-6-7-9-20-12-23-25(29-14-20)36-24(18(2)15-32(26(23)34)19(3)17-33)16-31(4)27(35)30-22-11-8-10-21(28)13-22/h8,10-14,18-19,24,33H,5-6,15-17H2,1-4H3,(H,30,35)/t18-,19+,24-/m0/s1" ; chebi:inchikey "QSIOMQGNLKPVMQ-GLDPYIMESA-N" ; chebi:mass "496.575" ; chebi:monoisotopicmass "496.24858" ; chebi:smiles "CCCC#CC1=CC2=C(N=C1)O[C@H]([C@H](CN(C2=O)[C@H](C)CO)C)CN(C)C(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103776" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(3-fluorophenyl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea" . obo:CHEBI_103777 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C30H38N4O4" ; chebi:inchi "InChI=1S/C30H38N4O4/c1-21-18-34(22(2)20-35)30(37)26-15-24(13-12-23-9-5-4-6-10-23)17-32-29(26)38-27(21)19-33(3)28(36)16-25-11-7-8-14-31-25/h7-8,11,14-15,17,21-23,27,35H,4-6,9-10,16,18-20H2,1-3H3/t21-,22+,27-/m0/s1" ; chebi:inchikey "UXOYYOHZEHALJU-XXAUWVGASA-N" ; chebi:mass "518.648" ; chebi:monoisotopicmass "518.28931" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3CCCCC3)O[C@H]1CN(C)C(=O)CC4=CC=CC=N4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103777" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide" . obo:CHEBI_103778 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N3O6S" ; chebi:inchi "InChI=1S/C30H51N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h14-15,17,22-25,29,31,34H,6-13,16,18-21H2,1-5H3/t22-,23+,24-,29+/m0/s1" ; chebi:inchikey "MOSVBDAIGOGSPE-HNFJUSDZSA-N" ; chebi:mass "581.810" ; chebi:monoisotopicmass "581.34986" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103778" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_103779 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H28F3N3O7" ; chebi:inchi "InChI=1S/C30H28F3N3O7/c31-30(32,33)17-2-4-18(5-3-17)35-29(39)36-19-6-8-23-21(10-19)22-11-20(42-26(14-37)28(22)43-23)12-27(38)34-13-16-1-7-24-25(9-16)41-15-40-24/h1-10,20,22,26,28,37H,11-15H2,(H,34,38)(H2,35,36,39)/t20-,22-,26-,28+/m1/s1" ; chebi:inchikey "DCKQIPUZKHPVQM-DFQMGKBUSA-N" ; chebi:mass "599.556" ; chebi:monoisotopicmass "599.18793" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103779" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_10378 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27707 ; owl:deprecated true . obo:CHEBI_103780 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H31N3O7" ; chebi:inchi "InChI=1S/C26H31N3O7/c1-29(2)12-25(32)28-16-4-6-20-18(8-16)19-9-17(35-23(13-30)26(19)36-20)10-24(31)27-11-15-3-5-21-22(7-15)34-14-33-21/h3-8,17,19,23,26,30H,9-14H2,1-2H3,(H,27,31)(H,28,32)/t17-,19+,23-,26-/m0/s1" ; chebi:inchikey "WTUFVLVPXRCGPW-RJOXYXJUSA-N" ; chebi:mass "497.541" ; chebi:monoisotopicmass "497.21620" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103780" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_103781 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)35-27-15-16-29-28(18-27)32(40)37(24(4)21-38)19-23(3)30(42-17-11-10-12-25(5)43-29)20-36(6)31(39)26-13-8-7-9-14-26/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H2,34,35,41)/t23-,24-,25-,30+/m1/s1" ; chebi:inchikey "KOPUKDVKYXJRIR-GBRARVNLSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103781" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide" . obo:CHEBI_103782 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H39N3O5" ; chebi:inchi "InChI=1S/C29H39N3O5/c1-19-15-32(16-21-9-10-21)20(2)18-37-26-14-23(30-28(33)22-7-6-8-24(13-22)35-4)11-12-25(26)29(34)31(3)17-27(19)36-5/h6-8,11-14,19-21,27H,9-10,15-18H2,1-5H3,(H,30,33)/t19-,20-,27-/m1/s1" ; chebi:inchikey "MBZIAPCTYFYNLY-SEXOINJZSA-N" ; chebi:mass "509.638" ; chebi:monoisotopicmass "509.28897" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103782" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzamide" . obo:CHEBI_103783 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H46N4O5" ; chebi:inchi "InChI=1S/C32H46N4O5/c1-22-18-36(23(2)21-37)31(38)17-25-16-27(34-32(39)33-26-10-13-28(40-4)14-11-26)12-15-29(25)41-30(22)20-35(3)19-24-8-6-5-7-9-24/h10-16,22-24,30,37H,5-9,17-21H2,1-4H3,(H2,33,34,39)/t22-,23+,30+/m0/s1" ; chebi:inchikey "QTHBIZIZCLMCFV-DDFCPOBKSA-N" ; chebi:mass "566.733" ; chebi:monoisotopicmass "566.34682" ; chebi:smiles "C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4CCCCC4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103783" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_103784 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H37N3O4S" ; chebi:inchi "InChI=1S/C28H37N3O4S/c1-21-17-31(22(2)20-32)36(33,34)28-13-12-23(10-11-24-9-6-14-29-16-24)15-26(28)35-27(21)19-30(3)18-25-7-4-5-8-25/h6,9,12-16,21-22,25,27,32H,4-5,7-8,17-20H2,1-3H3/t21-,22-,27+/m1/s1" ; chebi:inchikey "VXDFRUAWHFSTRR-LOYIFYEOSA-N" ; chebi:mass "511.678" ; chebi:monoisotopicmass "511.25048" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)CC4CCCC4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103784" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4R,5R)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103785 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C29H37FN2O5S" ; chebi:inchi "InChI=1S/C29H37FN2O5S/c1-21-17-32(22(2)20-33)38(34,35)29-11-9-23(8-10-25-6-4-5-7-26(25)30)16-27(29)37-28(21)19-31(3)18-24-12-14-36-15-13-24/h4-7,9,11,16,21-22,24,28,33H,12-15,17-20H2,1-3H3/t21-,22+,28+/m0/s1" ; chebi:inchikey "WFHCWVTWIFSLHF-PFPZSTESSA-N" ; chebi:mass "544.680" ; chebi:monoisotopicmass "544.24072" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@@H]1CN(C)CC4CCOCC4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103785" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103786 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H27FN2O4S" ; chebi:inchi "InChI=1S/C21H27FN2O4S/c1-14-12-24(15(2)13-25)29(26,27)21-9-8-16(17-6-4-5-7-18(17)22)10-19(21)28-20(14)11-23-3/h4-10,14-15,20,23,25H,11-13H2,1-3H3/t14-,15-,20+/m1/s1" ; chebi:inchikey "DTSMYPYKMZUDTF-SXGZJXTBSA-N" ; chebi:mass "422.515" ; chebi:monoisotopicmass "422.16756" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3F)O[C@H]1CNC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103786" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4R,5R)-8-(2-fluorophenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103787 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C23H27FN2O4S" ; chebi:inchi "InChI=1S/C23H27FN2O4S/c1-16-14-26(17(2)15-27)31(28,29)23-11-9-18(12-21(23)30-22(16)13-25-3)8-10-19-6-4-5-7-20(19)24/h4-7,9,11-12,16-17,22,25,27H,13-15H2,1-3H3/t16-,17-,22+/m1/s1" ; chebi:inchikey "SJHPEWGCSFZDDK-YVHKJVDXSA-N" ; chebi:mass "446.537" ; chebi:monoisotopicmass "446.16756" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@H]1CNC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103787" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103788 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H30N4O5" ; chebi:inchi "InChI=1S/C24H30N4O5/c1-28(2)13-23(31)27-16-5-6-20-18(8-16)19-9-17(32-21(14-29)24(19)33-20)10-22(30)26-12-15-4-3-7-25-11-15/h3-8,11,17,19,21,24,29H,9-10,12-14H2,1-2H3,(H,26,30)(H,27,31)/t17-,19+,21-,24-/m0/s1" ; chebi:inchikey "DYFXALJZQJAGQY-PMSBSAKUSA-N" ; chebi:mass "454.520" ; chebi:monoisotopicmass "454.22162" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103788" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_103789 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H47FN4O5" ; chebi:inchi "InChI=1S/C33H47FN4O5/c1-22-18-38(23(2)21-39)32(40)29-17-28(36-33(41)35-27-12-10-26(34)11-13-27)14-15-30(29)43-24(3)7-5-6-16-42-31(22)20-37(4)19-25-8-9-25/h10-15,17,22-25,31,39H,5-9,16,18-21H2,1-4H3,(H2,35,36,41)/t22-,23+,24-,31+/m1/s1" ; chebi:inchikey "STYUMYTXFXXJJW-WDCHQWTNSA-N" ; chebi:mass "598.750" ; chebi:monoisotopicmass "598.35305" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103789" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea" . obo:CHEBI_10379 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_30248 ; owl:deprecated true . obo:CHEBI_103790 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H41N3O5S" ; chebi:inchi "InChI=1S/C29H41N3O5S/c1-21-17-32(22(2)20-33)29(34)26-16-24(30-38(35,36)25-12-8-5-9-13-25)14-15-27(26)37-28(21)19-31(3)18-23-10-6-4-7-11-23/h5,8-9,12-16,21-23,28,30,33H,4,6-7,10-11,17-20H2,1-3H3/t21-,22+,28-/m1/s1" ; chebi:inchikey "DAPIBIRMBOQELH-RZIGYZOXSA-N" ; chebi:mass "543.720" ; chebi:monoisotopicmass "543.27669" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@@H]1CN(C)CC4CCCCC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103790" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide" . obo:CHEBI_103791 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26799 ; chebi:charge "0" ; chebi:formula "C24H38N2O5S" ; chebi:inchi "InChI=1S/C24H38N2O5S/c1-5-6-20-7-8-24-22(13-20)31-23(16-25(4)15-21-9-11-30-12-10-21)18(2)14-26(19(3)17-27)32(24,28)29/h5-8,13,18-19,21,23,27H,9-12,14-17H2,1-4H3/t18-,19+,23-/m0/s1" ; chebi:inchikey "PJAYKLYFYLNPHZ-YYDVJCTNSA-N" ; chebi:mass "466.636" ; chebi:monoisotopicmass "466.25014" ; chebi:smiles "CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@@H]([C@@H](O2)CN(C)CC3CCOCC3)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103791" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15135" . obo:CHEBI_103792 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C29H37FN2O5S" ; chebi:inchi "InChI=1S/C29H37FN2O5S/c1-21-17-32(22(2)20-33)38(34,35)29-11-9-23(8-10-25-6-4-5-7-26(25)30)16-27(29)37-28(21)19-31(3)18-24-12-14-36-15-13-24/h4-7,9,11,16,21-22,24,28,33H,12-15,17-20H2,1-3H3/t21-,22-,28-/m0/s1" ; chebi:inchikey "WFHCWVTWIFSLHF-VPYPWEPUSA-N" ; chebi:mass "544.680" ; chebi:monoisotopicmass "544.24072" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@H]1CN(C)CC4CCOCC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103792" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103793 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H28F3N3O7" ; chebi:inchi "InChI=1S/C30H28F3N3O7/c31-30(32,33)17-2-4-18(5-3-17)35-29(39)36-19-6-8-23-21(10-19)22-11-20(42-26(14-37)28(22)43-23)12-27(38)34-13-16-1-7-24-25(9-16)41-15-40-24/h1-10,20,22,26,28,37H,11-15H2,(H,34,38)(H2,35,36,39)/t20-,22+,26-,28-/m1/s1" ; chebi:inchikey "DCKQIPUZKHPVQM-UKTDVOJESA-N" ; chebi:mass "599.556" ; chebi:monoisotopicmass "599.18793" ; chebi:smiles "C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103793" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_103794 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H30N4O5" ; chebi:inchi "InChI=1S/C24H30N4O5/c1-28(2)13-23(31)27-16-5-6-20-18(8-16)19-9-17(32-21(14-29)24(19)33-20)10-22(30)26-12-15-4-3-7-25-11-15/h3-8,11,17,19,21,24,29H,9-10,12-14H2,1-2H3,(H,26,30)(H,27,31)/t17-,19-,21+,24+/m0/s1" ; chebi:inchikey "DYFXALJZQJAGQY-NOOBJOLFSA-N" ; chebi:mass "454.520" ; chebi:monoisotopicmass "454.22162" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103794" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_103795 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C22H29N3O4" ; chebi:inchi "InChI=1S/C22H29N3O4/c1-14-12-25(15(2)13-26)22(27)19-9-17(16-5-7-18(28-4)8-6-16)10-24-21(19)29-20(14)11-23-3/h5-10,14-15,20,23,26H,11-13H2,1-4H3/t14-,15-,20-/m0/s1" ; chebi:inchikey "KUOLKNDJLDMVPT-AVYPCKFXSA-N" ; chebi:mass "399.484" ; chebi:monoisotopicmass "399.21581" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=C(C=C3)OC)O[C@H]1CNC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103795" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103796 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H43F3N4O5" ; chebi:inchi "InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21+,22-,28+/m1/s1" ; chebi:inchikey "GMYAYTAKTSTYEI-LLTQPOKBSA-N" ; chebi:mass "608.693" ; chebi:monoisotopicmass "608.31855" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103796" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_103797 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C25H33N3O4S" ; chebi:inchi "InChI=1S/C25H33N3O4S/c1-5-12-27(4)16-24-18(2)15-28(19(3)17-29)33(30,31)25-11-10-22(13-23(25)32-24)21-8-6-20(14-26)7-9-21/h6-11,13,18-19,24,29H,5,12,15-17H2,1-4H3/t18-,19+,24-/m0/s1" ; chebi:inchikey "MGOWLZBQMGKWLP-GLDPYIMESA-N" ; chebi:mass "471.614" ; chebi:monoisotopicmass "471.21918" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C#N)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103797" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103798 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H33FN4O4" ; chebi:inchi "InChI=1S/C27H33FN4O4/c1-5-6-7-9-20-12-23-25(29-14-20)36-24(18(2)15-32(26(23)34)19(3)17-33)16-31(4)27(35)30-22-11-8-10-21(28)13-22/h8,10-14,18-19,24,33H,5-6,15-17H2,1-4H3,(H,30,35)/t18-,19+,24+/m0/s1" ; chebi:inchikey "QSIOMQGNLKPVMQ-XLNZFTOWSA-N" ; chebi:mass "496.575" ; chebi:monoisotopicmass "496.24858" ; chebi:smiles "CCCC#CC1=CC2=C(N=C1)O[C@@H]([C@H](CN(C2=O)[C@H](C)CO)C)CN(C)C(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103798" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(3-fluorophenyl)-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea" . obo:CHEBI_103799 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C27H33FN2O4S" ; chebi:inchi "InChI=1S/C27H33FN2O4S/c1-19-15-30(20(2)18-31)35(32,33)27-12-11-22(8-7-21-5-4-6-24(28)13-21)14-25(27)34-26(19)17-29(3)16-23-9-10-23/h4-6,11-14,19-20,23,26,31H,9-10,15-18H2,1-3H3/t19-,20+,26-/m1/s1" ; chebi:inchikey "RFKINOJAXDJBJC-BVFVYWQFSA-N" ; chebi:mass "500.627" ; chebi:monoisotopicmass "500.21451" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC(=CC=C3)F)O[C@@H]1CN(C)CC4CC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103799" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4R,5S)-5-[[cyclopropylmethyl(methyl)amino]methyl]-8-[2-(3-fluorophenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_1038 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28160 ; owl:deprecated true . obo:CHEBI_10380 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17716 ; owl:deprecated true . obo:CHEBI_103800 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H31N3O7" ; chebi:inchi "InChI=1S/C26H31N3O7/c1-29(2)12-25(32)28-16-4-6-20-18(8-16)19-9-17(35-23(13-30)26(19)36-20)10-24(31)27-11-15-3-5-21-22(7-15)34-14-33-21/h3-8,17,19,23,26,30H,9-14H2,1-2H3,(H,27,31)(H,28,32)/t17-,19+,23+,26-/m0/s1" ; chebi:inchikey "WTUFVLVPXRCGPW-NNUFSEJXSA-N" ; chebi:mass "497.541" ; chebi:monoisotopicmass "497.21620" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103800" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_103801 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N3O6S" ; chebi:inchi "InChI=1S/C30H51N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h14-15,17,22-25,29,31,34H,6-13,16,18-21H2,1-5H3/t22-,23-,24-,29-/m0/s1" ; chebi:inchikey "MOSVBDAIGOGSPE-UITIVDIESA-N" ; chebi:mass "581.810" ; chebi:monoisotopicmass "581.34986" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103801" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_103802 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H41N3O5" ; chebi:inchi "InChI=1S/C31H41N3O5/c1-21-18-34(30(36)24-13-9-6-10-14-24)22(2)20-39-27-16-15-25(32-29(35)23-11-7-5-8-12-23)17-26(27)31(37)33(3)19-28(21)38-4/h6,9-10,13-17,21-23,28H,5,7-8,11-12,18-20H2,1-4H3,(H,32,35)/t21-,22+,28+/m1/s1" ; chebi:inchikey "PQUKNIWUQFCXJV-WENCSYSZSA-N" ; chebi:mass "535.676" ; chebi:monoisotopicmass "535.30462" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103802" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide" . obo:CHEBI_103803 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H31N3O7" ; chebi:inchi "InChI=1S/C26H31N3O7/c1-29(2)12-25(32)28-16-4-6-20-18(8-16)19-9-17(35-23(13-30)26(19)36-20)10-24(31)27-11-15-3-5-21-22(7-15)34-14-33-21/h3-8,17,19,23,26,30H,9-14H2,1-2H3,(H,27,31)(H,28,32)/t17-,19+,23-,26-/m1/s1" ; chebi:inchikey "WTUFVLVPXRCGPW-ZOFLEUFXSA-N" ; chebi:mass "497.541" ; chebi:monoisotopicmass "497.21620" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103803" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_103804 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H32FN3O4S" ; chebi:inchi "InChI=1S/C29H32FN3O4S/c1-20-16-33(21(2)19-34)38(35,36)29-12-11-25(24-9-7-22(15-31)8-10-24)14-27(29)37-28(20)18-32(3)17-23-5-4-6-26(30)13-23/h4-14,20-21,28,34H,16-19H2,1-3H3/t20-,21-,28-/m0/s1" ; chebi:inchikey "PEEJAUXHJGOSQX-CZBREUMFSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.20976" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)O[C@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103804" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4S,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103805 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C24H33N3O5S" ; chebi:inchi "InChI=1S/C24H33N3O5S/c1-16-14-27(17(2)15-28)33(30,31)23-10-9-19(12-21(23)32-22(16)13-25-3)18-7-6-8-20(11-18)24(29)26(4)5/h6-12,16-17,22,25,28H,13-15H2,1-5H3/t16-,17-,22+/m1/s1" ; chebi:inchikey "BXSLUDILSQPBHO-YVHKJVDXSA-N" ; chebi:mass "475.603" ; chebi:monoisotopicmass "475.21409" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC(=CC=C3)C(=O)N(C)C)O[C@H]1CNC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103805" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide" . obo:CHEBI_103806 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H42N4O5" ; chebi:inchi "InChI=1S/C29H42N4O5/c1-20-17-33(21(2)19-34)29(36)25-16-24(31-28(35)23-11-13-30-14-12-23)9-10-26(25)38-22(3)8-6-7-15-37-27(20)18-32(4)5/h9-14,16,20-22,27,34H,6-8,15,17-19H2,1-5H3,(H,31,35)/t20-,21+,22-,27+/m1/s1" ; chebi:inchikey "FBKKOHUHBUWDTB-RYBWSMFQSA-N" ; chebi:mass "526.669" ; chebi:monoisotopicmass "526.31552" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103806" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103807 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H46F3N3O5" ; chebi:inchi "InChI=1S/C29H46F3N3O5/c1-6-14-34(5)18-26-20(2)17-35(21(3)19-36)28(38)24-16-23(33-27(37)12-13-29(30,31)32)10-11-25(24)40-22(4)9-7-8-15-39-26/h10-11,16,20-22,26,36H,6-9,12-15,17-19H2,1-5H3,(H,33,37)/t20-,21+,22-,26+/m0/s1" ; chebi:inchikey "ZWQRBFIYGZIGKO-IMIIHFCZSA-N" ; chebi:mass "573.689" ; chebi:monoisotopicmass "573.33896" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103807" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103808 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H35F2N3O5S" ; chebi:inchi "InChI=1S/C29H35F2N3O5S/c1-19-16-34(20(2)18-35)40(37,38)28-13-10-22(9-8-21-6-4-5-7-21)14-26(28)39-27(19)17-33(3)29(36)32-25-15-23(30)11-12-24(25)31/h10-15,19-21,27,35H,4-7,16-18H2,1-3H3,(H,32,36)/t19-,20+,27+/m0/s1" ; chebi:inchikey "CROBQSVNIOLQSN-ASHZAFPQSA-N" ; chebi:mass "575.669" ; chebi:monoisotopicmass "575.22655" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CCCC3)O[C@@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103808" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(4S,5S)-8-(2-cyclopentylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea" . obo:CHEBI_103809 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26799 ; chebi:charge "0" ; chebi:formula "C24H38N2O5S" ; chebi:inchi "InChI=1S/C24H38N2O5S/c1-5-6-20-7-8-24-22(13-20)31-23(16-25(4)15-21-9-11-30-12-10-21)18(2)14-26(19(3)17-27)32(24,28)29/h5-8,13,18-19,21,23,27H,9-12,14-17H2,1-4H3/t18-,19-,23-/m1/s1" ; chebi:inchikey "PJAYKLYFYLNPHZ-DNVFCKCGSA-N" ; chebi:mass "466.636" ; chebi:monoisotopicmass "466.25014" ; chebi:smiles "CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@H]([C@H](O2)CN(C)CC3CCOCC3)C)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103809" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15153" . obo:CHEBI_103810 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C29H37FN2O5S" ; chebi:inchi "InChI=1S/C29H37FN2O5S/c1-21-17-32(22(2)20-33)38(34,35)29-11-9-23(8-10-25-6-4-5-7-26(25)30)16-27(29)37-28(21)19-31(3)18-24-12-14-36-15-13-24/h4-7,9,11,16,21-22,24,28,33H,12-15,17-20H2,1-3H3/t21-,22+,28-/m0/s1" ; chebi:inchikey "WFHCWVTWIFSLHF-TYPXCFOJSA-N" ; chebi:mass "544.680" ; chebi:monoisotopicmass "544.24072" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@H]1CN(C)CC4CCOCC4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103810" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103811 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C29H37FN2O5S" ; chebi:inchi "InChI=1S/C29H37FN2O5S/c1-21-17-32(22(2)20-33)38(34,35)29-11-9-23(8-10-25-6-4-5-7-26(25)30)16-27(29)37-28(21)19-31(3)18-24-12-14-36-15-13-24/h4-7,9,11,16,21-22,24,28,33H,12-15,17-20H2,1-3H3/t21-,22+,28+/m1/s1" ; chebi:inchikey "WFHCWVTWIFSLHF-WENCSYSZSA-N" ; chebi:mass "544.680" ; chebi:monoisotopicmass "544.24072" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@H]1CN(C)CC4CCOCC4)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103811" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103812 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H35F2N3O5S" ; chebi:inchi "InChI=1S/C29H35F2N3O5S/c1-19-16-34(20(2)18-35)40(37,38)28-13-10-22(9-8-21-6-4-5-7-21)14-26(28)39-27(19)17-33(3)29(36)32-25-15-23(30)11-12-24(25)31/h10-15,19-21,27,35H,4-7,16-18H2,1-3H3,(H,32,36)/t19-,20-,27-/m1/s1" ; chebi:inchikey "CROBQSVNIOLQSN-SEXOINJZSA-N" ; chebi:mass "575.669" ; chebi:monoisotopicmass "575.22655" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CCCC3)O[C@@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103812" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(4R,5S)-8-(2-cyclopentylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea" . obo:CHEBI_103813 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N3O6S" ; chebi:inchi "InChI=1S/C30H51N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h14-15,17,22-25,29,31,34H,6-13,16,18-21H2,1-5H3/t22-,23-,24-,29+/m0/s1" ; chebi:inchikey "MOSVBDAIGOGSPE-HGPRPZRGSA-N" ; chebi:mass "581.810" ; chebi:monoisotopicmass "581.34986" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103813" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_103814 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H31F2N3O3" ; chebi:inchi "InChI=1S/C28H31F2N3O3/c1-18-14-33(19(2)17-34)28(35)24-12-21(23-9-4-5-10-25(23)30)13-31-27(24)36-26(18)16-32(3)15-20-7-6-8-22(29)11-20/h4-13,18-19,26,34H,14-17H2,1-3H3/t18-,19-,26-/m0/s1" ; chebi:inchikey "NAZKFJIDOIPBCY-DGUDUIIESA-N" ; chebi:mass "495.562" ; chebi:monoisotopicmass "495.23335" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3F)O[C@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103814" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103815 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H40N2O7S2" ; chebi:inchi "InChI=1S/C30H40N2O7S2/c1-22-19-32(23(2)21-33)41(36,37)30-17-16-25(13-9-12-24-10-5-6-11-24)18-27(30)39-28(22)20-31(3)40(34,35)29-15-8-7-14-26(29)38-4/h7-8,14-18,22-24,28,33H,5-6,10-12,19-21H2,1-4H3/t22-,23+,28+/m0/s1" ; chebi:inchikey "LUSCQGWIOGZNHP-SXDGJLEOSA-N" ; chebi:mass "604.781" ; chebi:monoisotopicmass "604.22769" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCC3CCCC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103815" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(4S,5S)-8-(3-cyclopentylprop-1-ynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylbenzenesulfonamide" . obo:CHEBI_103816 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H27FN2O7" ; chebi:inchi "InChI=1S/C29H27FN2O7/c30-18-3-1-2-16(8-18)13-31-27(34)12-20-11-22-21-10-19(5-7-23(21)39-28(22)26(14-33)38-20)32-29(35)17-4-6-24-25(9-17)37-15-36-24/h1-10,20,22,26,28,33H,11-15H2,(H,31,34)(H,32,35)/t20-,22-,26-,28+/m1/s1" ; chebi:inchikey "HIMABYNGDRMZAM-DFQMGKBUSA-N" ; chebi:mass "534.533" ; chebi:monoisotopicmass "534.18023" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC(=CC=C6)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103816" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_103817 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C30H41N7O4" ; chebi:inchi "InChI=1S/C30H41N7O4/c1-21-15-37(22(2)19-38)29(39)9-6-14-36-17-25(33-34-36)20-41-28(21)18-35(3)16-23-10-12-24(13-11-23)30(40)32-27-8-5-4-7-26(27)31/h4-5,7-8,10-13,17,21-22,28,38H,6,9,14-16,18-20,31H2,1-3H3,(H,32,40)/t21-,22+,28+/m0/s1" ; chebi:inchikey "UVZKFWVLTKDOOG-PFPZSTESSA-N" ; chebi:mass "563.692" ; chebi:monoisotopicmass "563.32200" ; chebi:smiles "C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)N=N2)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103817" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2-aminophenyl)-4-[[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl-methylamino]methyl]benzamide" . obo:CHEBI_103818 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H27FN2O4S" ; chebi:inchi "InChI=1S/C21H27FN2O4S/c1-14-12-24(15(2)13-25)29(26,27)21-9-8-16(17-6-4-5-7-18(17)22)10-19(21)28-20(14)11-23-3/h4-10,14-15,20,23,25H,11-13H2,1-3H3/t14-,15+,20-/m1/s1" ; chebi:inchikey "DTSMYPYKMZUDTF-QEEYODRMSA-N" ; chebi:mass "422.515" ; chebi:monoisotopicmass "422.16756" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3F)O[C@@H]1CNC)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103818" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4R,5S)-8-(2-fluorophenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103819 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H43F3N4O5" ; chebi:inchi "InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21-,22+,28+/m1/s1" ; chebi:inchikey "GMYAYTAKTSTYEI-XYFFEVBTSA-N" ; chebi:mass "608.693" ; chebi:monoisotopicmass "608.31855" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103819" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_10382 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_546807 ; owl:deprecated true . obo:CHEBI_103820 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26776 ; chebi:charge "0" ; chebi:formula "C30H33F2N3O5S" ; chebi:inchi "InChI=1S/C30H33F2N3O5S/c1-20-17-35(21(2)19-36)41(38,39)29-14-11-23(10-9-22-7-5-4-6-8-22)15-27(29)40-28(20)18-34(3)30(37)33-26-16-24(31)12-13-25(26)32/h4-16,20-21,28,36H,17-19H2,1-3H3,(H,33,37)/t20-,21+,28-/m0/s1" ; chebi:inchikey "RSLDQNPUEWIABH-GTNJKRJXSA-N" ; chebi:mass "585.664" ; chebi:monoisotopicmass "585.21090" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C=CC3=CC=CC=C3)O[C@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103820" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15164" . obo:CHEBI_103821 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26776 ; chebi:charge "0" ; chebi:formula "C30H33F2N3O5S" ; chebi:inchi "InChI=1S/C30H33F2N3O5S/c1-20-17-35(21(2)19-36)41(38,39)29-14-11-23(10-9-22-7-5-4-6-8-22)15-27(29)40-28(20)18-34(3)30(37)33-26-16-24(31)12-13-25(26)32/h4-16,20-21,28,36H,17-19H2,1-3H3,(H,33,37)/t20-,21+,28-/m1/s1" ; chebi:inchikey "RSLDQNPUEWIABH-PHVLTXCSSA-N" ; chebi:mass "585.664" ; chebi:monoisotopicmass "585.21090" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C=CC3=CC=CC=C3)O[C@@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103821" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15165" . obo:CHEBI_103822 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26776 ; chebi:charge "0" ; chebi:formula "C30H33F2N3O5S" ; chebi:inchi "InChI=1S/C30H33F2N3O5S/c1-20-17-35(21(2)19-36)41(38,39)29-14-11-23(10-9-22-7-5-4-6-8-22)15-27(29)40-28(20)18-34(3)30(37)33-26-16-24(31)12-13-25(26)32/h4-16,20-21,28,36H,17-19H2,1-3H3,(H,33,37)/t20-,21-,28-/m1/s1" ; chebi:inchikey "RSLDQNPUEWIABH-UMQWNRPGSA-N" ; chebi:mass "585.664" ; chebi:monoisotopicmass "585.21090" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C=CC3=CC=CC=C3)O[C@@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103822" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15166" . obo:CHEBI_103823 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H32FN3O4S" ; chebi:inchi "InChI=1S/C29H32FN3O4S/c1-20-16-33(21(2)19-34)38(35,36)29-12-11-25(24-9-7-22(15-31)8-10-24)14-27(29)37-28(20)18-32(3)17-23-5-4-6-26(30)13-23/h4-14,20-21,28,34H,16-19H2,1-3H3/t20-,21+,28+/m1/s1" ; chebi:inchikey "PEEJAUXHJGOSQX-GGJMMHKRSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.20976" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)O[C@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103823" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4R,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103824 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H35F2N3O5S" ; chebi:inchi "InChI=1S/C29H35F2N3O5S/c1-19-16-34(20(2)18-35)40(37,38)28-13-10-22(9-8-21-6-4-5-7-21)14-26(28)39-27(19)17-33(3)29(36)32-25-15-23(30)11-12-24(25)31/h10-15,19-21,27,35H,4-7,16-18H2,1-3H3,(H,32,36)/t19-,20+,27-/m1/s1" ; chebi:inchikey "CROBQSVNIOLQSN-IOKPGSKQSA-N" ; chebi:mass "575.669" ; chebi:monoisotopicmass "575.22655" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CCCC3)O[C@@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103824" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(4R,5S)-8-(2-cyclopentylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea" . obo:CHEBI_103825 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_27024 ; chebi:charge "0" ; chebi:formula "C25H36N2O4S" ; chebi:inchi "InChI=1S/C25H36N2O4S/c1-6-13-26(5)16-24-19(3)15-27(20(4)17-28)32(29,30)25-12-11-21(14-23(25)31-24)22-10-8-7-9-18(22)2/h7-12,14,19-20,24,28H,6,13,15-17H2,1-5H3/t19-,20+,24-/m0/s1" ; chebi:inchikey "OGNBHIXSMVQURJ-ROKPMTFOSA-N" ; chebi:mass "460.631" ; chebi:monoisotopicmass "460.23958" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=CC=C3C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103825" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4S,5R)-4-methyl-8-(2-methylphenyl)-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103826 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C30H34FN3O3" ; chebi:inchi "InChI=1S/C30H34FN3O3/c1-21-17-34(22(2)20-35)30(36)27-15-25(10-9-23-7-5-4-6-8-23)16-32-29(27)37-28(21)19-33(3)18-24-11-13-26(31)14-12-24/h4-16,21-22,28,35H,17-20H2,1-3H3/t21-,22+,28-/m0/s1" ; chebi:inchikey "ICPSYJLXOFSSIL-TYPXCFOJSA-N" ; chebi:mass "503.609" ; chebi:monoisotopicmass "503.25842" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC(=CN=C2O[C@H]1CN(C)CC3=CC=C(C=C3)F)C=CC4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103826" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15170" . obo:CHEBI_103827 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C20H35N5O5" ; chebi:inchi "InChI=1S/C20H35N5O5/c1-14(2)30-20(28)23(5)11-18-15(3)9-25(16(4)12-26)19(27)7-6-8-24-10-17(13-29-18)21-22-24/h10,14-16,18,26H,6-9,11-13H2,1-5H3/t15-,16-,18+/m0/s1" ; chebi:inchikey "FYUBIBUWDYYNKH-XYJFISCASA-N" ; chebi:mass "425.523" ; chebi:monoisotopicmass "425.26382" ; chebi:smiles "C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)C(=O)OC(C)C)N=N2)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103827" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcarbamic acid propan-2-yl ester" . obo:CHEBI_103828 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H35F2N3O5S" ; chebi:inchi "InChI=1S/C29H35F2N3O5S/c1-19-16-34(20(2)18-35)40(37,38)28-13-10-22(9-8-21-6-4-5-7-21)14-26(28)39-27(19)17-33(3)29(36)32-25-15-23(30)11-12-24(25)31/h10-15,19-21,27,35H,4-7,16-18H2,1-3H3,(H,32,36)/t19-,20-,27-/m0/s1" ; chebi:inchikey "CROBQSVNIOLQSN-OSOCVKALSA-N" ; chebi:mass "575.669" ; chebi:monoisotopicmass "575.22655" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CCCC3)O[C@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103828" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(4S,5R)-8-(2-cyclopentylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea" . obo:CHEBI_103829 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H35F2N3O5S" ; chebi:inchi "InChI=1S/C29H35F2N3O5S/c1-19-16-34(20(2)18-35)40(37,38)28-13-10-22(9-8-21-6-4-5-7-21)14-26(28)39-27(19)17-33(3)29(36)32-25-15-23(30)11-12-24(25)31/h10-15,19-21,27,35H,4-7,16-18H2,1-3H3,(H,32,36)/t19-,20+,27+/m1/s1" ; chebi:inchikey "CROBQSVNIOLQSN-JVAFGIKQSA-N" ; chebi:mass "575.669" ; chebi:monoisotopicmass "575.22655" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CCCC3)O[C@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@@H](C)CO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103829" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(4R,5R)-8-(2-cyclopentylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea" . obo:CHEBI_10383 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27667 ; owl:deprecated true . obo:CHEBI_103830 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H30FN3O6" ; chebi:inchi "InChI=1S/C29H30FN3O6/c1-37-24-9-5-2-6-17(24)15-31-27(35)14-19-13-21-20-12-18(10-11-25(20)39-28(21)26(16-34)38-19)32-29(36)33-23-8-4-3-7-22(23)30/h2-12,19,21,26,28,34H,13-16H2,1H3,(H,31,35)(H2,32,33,36)/t19-,21-,26+,28+/m1/s1" ; chebi:inchikey "QPCDPRLGXJQWSH-MECTWPEFSA-N" ; chebi:mass "535.565" ; chebi:monoisotopicmass "535.21186" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103830" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_103831 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C15H15N3O4" ; chebi:inchi "InChI=1S/C15H15N3O4/c1-9-8-13(16-11-5-3-2-4-10(9)11)18-17-12(15(21)22)6-7-14(19)20/h2-5,8H,6-7H2,1H3,(H,16,18)(H,19,20)(H,21,22)" ; chebi:inchikey "UDHWXDSRBZYMPZ-UHFFFAOYSA-N" ; chebi:mass "301.298" ; chebi:monoisotopicmass "301.10626" ; chebi:smiles "CC1=CC(=NC2=CC=CC=C12)NN=C(CCC(=O)O)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103831" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(4-methyl-2-quinolinyl)hydrazinylidene]pentanedioic acid" . obo:CHEBI_103832 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C27H32N4O4S" ; chebi:inchi "InChI=1S/C27H32N4O4S/c1-4-31(5-2)18-17-28-26(32)21-11-15-23(16-12-21)29-27(33)22-7-6-8-25(19-22)36(34,35)30-24-13-9-20(3)10-14-24/h6-16,19,30H,4-5,17-18H2,1-3H3,(H,28,32)(H,29,33)" ; chebi:inchikey "ANFMDKLZVFZSMK-UHFFFAOYSA-N" ; chebi:mass "508.634" ; chebi:monoisotopicmass "508.21443" ; chebi:smiles "CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103832" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[4-[[2-(diethylamino)ethylamino]-oxomethyl]phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide" . obo:CHEBI_103833 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C15H11NO3" ; chebi:inchi "InChI=1S/C15H11NO3/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11/h1-5,7-9H,6H2,(H,17,18)" ; chebi:inchikey "VHWFITPGPFLBGT-UHFFFAOYSA-N" ; chebi:mass "253.253" ; chebi:monoisotopicmass "253.07389" ; chebi:smiles "C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(=C3)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103833" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-(3-pyridinylmethyl)-2-benzofurancarboxylic acid" . obo:CHEBI_103834 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; chebi:charge "0" ; chebi:formula "C21H22N2O5S" ; chebi:inchi "InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)15(13)22-17(24)14-18(25)23-16(20(26)27)21(2,3)29-19(14)23/h5-10,14,16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t14-,16?,19-/m1/s1" ; chebi:inchikey "PLIGJUHHTJAZTH-WDOBJEIGSA-N" ; chebi:mass "414.477" ; chebi:monoisotopicmass "414.12494" ; chebi:smiles "CCOC1=C(C2=CC=CC=C2C=C1)NC(=O)[C@H]3[C@@H]4N(C3=O)C(C(S4)(C)C)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103834" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5R,6R)-6-[[(2-ethoxy-1-naphthalenyl)amino]-oxomethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . obo:CHEBI_103835 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26347 ; chebi:charge "0" ; chebi:formula "C22H29ClO6" ; chebi:inchi "InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/t16-,18-,19-,20+,21-/m1/s1" ; chebi:inchikey "VJGGHXVGBSZVMZ-LELZANKISA-N" ; chebi:mass "424.916" ; chebi:monoisotopicmass "424.16527" ; chebi:smiles "C1[C@@H]([C@@H]([C@H]([C@@H]1O)C=C[C@H](COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103835" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid" . obo:CHEBI_103836 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23003 ; rdfs:subClassOf obo:CHEBI_23066 ; chebi:charge "0" ; chebi:formula "C16H16N4O8S" ; chebi:inchi "InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)" ; chebi:inchikey "JFPVXVDWJQMJEE-UHFFFAOYSA-N" ; chebi:mass "424.387" ; chebi:monoisotopicmass "424.06888" ; chebi:smiles "CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103836" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(carbamoyloxymethyl)-7-[[2-(2-furanyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . obo:CHEBI_103837 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C11H9NO2S" ; chebi:inchi "InChI=1S/C11H9NO2S/c13-10(14)7-15-9-5-1-3-8-4-2-6-12-11(8)9/h1-6H,7H2,(H,13,14)" ; chebi:inchikey "UDBABHVKOSPWKD-UHFFFAOYSA-N" ; chebi:mass "219.261" ; chebi:monoisotopicmass "219.03540" ; chebi:smiles "C1=CC2=C(C(=C1)SCC(=O)O)N=CC=C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103837" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(8-quinolinylthio)acetic acid" . obo:CHEBI_103838 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "0" ; chebi:formula "C13H14N2O2S" ; chebi:inchi "InChI=1S/C13H14N2O2S/c1-15-7-6-14-13(15)18-9-12(16)10-4-3-5-11(8-10)17-2/h3-8H,9H2,1-2H3" ; chebi:inchikey "SYLWZFNIQJFWKS-UHFFFAOYSA-N" ; chebi:mass "262.329" ; chebi:monoisotopicmass "262.07760" ; chebi:smiles "CN1C=CN=C1SCC(=O)C2=CC(=CC=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103838" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-methoxyphenyl)-2-[(1-methyl-2-imidazolyl)thio]ethanone" . obo:CHEBI_103839 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; chebi:charge "+1" ; chebi:formula "C18H14BrN4O" ; chebi:inchi "InChI=1S/C18H14BrN4O/c1-22-18-15(19)9-23(10-16(18)20-21-22)11-17(24)14-7-6-12-4-2-3-5-13(12)8-14/h2-10H,11H2,1H3/q+1" ; chebi:inchikey "OXTWOFOMWUURDJ-UHFFFAOYSA-N" ; chebi:mass "382.234" ; chebi:monoisotopicmass "381.03455" ; chebi:smiles "CN1C2=C(C=[N+](C=C2N=N1)CC(=O)C3=CC4=CC=CC=C4C=C3)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103839" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(7-bromo-1-methyl-5-triazolo[4,5-c]pyridin-5-iumyl)-1-(2-naphthalenyl)ethanone" . obo:CHEBI_10384 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28034 ; owl:deprecated true . obo:CHEBI_103840 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C23H22BrN2O" ; chebi:inchi "InChI=1S/C23H22BrN2O/c1-27-19-11-7-17(8-12-19)22-15-25-14-21(16-5-9-18(24)10-6-16)20-4-2-3-13-26(22)23(20)25/h5-12,15H,2-4,13-14H2,1H3/q+1" ; chebi:inchikey "JBZPLGMTBVEFIZ-UHFFFAOYSA-N" ; chebi:mass "422.338" ; chebi:monoisotopicmass "421.09100" ; chebi:smiles "COC1=CC=C(C=C1)C2=C[N+]3=C4N2CCCCC4=C(C3)C5=CC=C(C=C5)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103840" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15190" . obo:CHEBI_103841 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C14H13N5OS2" ; chebi:inchi "InChI=1S/C14H13N5OS2/c1-8-12(22-14(16-8)17-9(2)20)10-7-21-13(18-10)19-11-5-3-4-6-15-11/h3-7H,1-2H3,(H,15,18,19)(H,16,17,20)" ; chebi:inchikey "NSRZLORKVVVKSA-UHFFFAOYSA-N" ; chebi:mass "331.419" ; chebi:monoisotopicmass "331.05615" ; chebi:smiles "CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)NC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103841" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[4-methyl-5-[2-(2-pyridinylamino)-4-thiazolyl]-2-thiazolyl]acetamide" . obo:CHEBI_103842 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C17H14FN3OS" ; chebi:inchi "InChI=1S/C17H14FN3OS/c1-22-15-8-4-13(5-9-15)16-11-23-17(21-20-16)19-10-12-2-6-14(18)7-3-12/h2-11,20H,1H3" ; chebi:inchikey "JPYJRIQYPDCENN-UHFFFAOYSA-N" ; chebi:mass "327.378" ; chebi:monoisotopicmass "327.08416" ; chebi:smiles "COC1=CC=C(C=C1)C2=CSC(=NN2)N=CC3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103842" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-fluorophenyl)-N-[5-(4-methoxyphenyl)-4H-1,3,4-thiadiazin-2-yl]methanimine" . obo:CHEBI_103843 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C27H31N2O3S" ; chebi:inchi "InChI=1S/C27H31N2O3S/c1-19-16-22(27(3,4)5)17-20(2)26(19)33-15-13-23-8-6-7-14-28(23)18-25(30)21-9-11-24(12-10-21)29(31)32/h6-12,14,16-17H,13,15,18H2,1-5H3/q+1" ; chebi:inchikey "FCSPLBHOFZPWNK-UHFFFAOYSA-N" ; chebi:mass "463.614" ; chebi:monoisotopicmass "463.20499" ; chebi:smiles "CC1=CC(=CC(=C1SCCC2=CC=CC=[N+]2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C(C)(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103843" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[2-[2-[(4-tert-butyl-2,6-dimethylphenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-(4-nitrophenyl)ethanone" . obo:CHEBI_103844 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C12H12ClN2O" ; chebi:inchi "InChI=1S/C12H12ClN2O/c1-14-6-7-15(9-14)8-12(16)10-2-4-11(13)5-3-10/h2-7,9H,8H2,1H3/q+1" ; chebi:inchikey "VAPRSYGEPKZLNA-UHFFFAOYSA-N" ; chebi:mass "235.690" ; chebi:monoisotopicmass "235.06327" ; chebi:smiles "C[N+]1=CN(C=C1)CC(=O)C2=CC=C(C=C2)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103844" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-chlorophenyl)-2-(3-methyl-1-imidazol-3-iumyl)ethanone" . obo:CHEBI_103845 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C17H14NO" ; chebi:inchi "InChI=1S/C17H14NO/c19-17(15-8-2-1-3-9-15)13-18-12-6-10-14-7-4-5-11-16(14)18/h1-12H,13H2/q+1" ; chebi:inchikey "SZWQQHOTONBGOP-UHFFFAOYSA-N" ; chebi:mass "248.300" ; chebi:monoisotopicmass "248.10699" ; chebi:smiles "C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=CC=CC=C32" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103845" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-phenyl-2-(1-quinolin-1-iumyl)ethanone" . obo:CHEBI_103846 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36786 ; chebi:charge "0" ; chebi:formula "C16H25NO" ; chebi:inchi "InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1" ; chebi:inchikey "ASXGJMSKWNBENU-CQSZACIVSA-N" ; chebi:mass "247.376" ; chebi:monoisotopicmass "247.19361" ; chebi:smiles "CCCN(CCC)[C@@H]1CCC2=C(C1)C(=CC=C2)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103846" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol" . obo:CHEBI_103847 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "0" ; chebi:formula "C17H16N2O2" ; chebi:inchi "InChI=1S/C17H16N2O2/c1-21-14-8-6-12(7-9-14)16(20)11-19-10-13-4-2-3-5-15(13)17(19)18/h2-9,18H,10-11H2,1H3" ; chebi:inchikey "YTADBJFSUZDANR-UHFFFAOYSA-N" ; chebi:mass "280.322" ; chebi:monoisotopicmass "280.12118" ; chebi:smiles "COC1=CC=C(C=C1)C(=O)CN2CC3=CC=CC=C3C2=N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103847" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(3-imino-1H-isoindol-2-yl)-1-(4-methoxyphenyl)ethanone" . obo:CHEBI_103848 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C16H15N3O3S2" ; chebi:inchi "InChI=1S/C16H15N3O3S2/c1-22-13-6-2-11(3-7-13)15-10-23-16(19-15)18-12-4-8-14(9-5-12)24(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21)" ; chebi:inchikey "UVXFVKPLLNBRNZ-UHFFFAOYSA-N" ; chebi:mass "361.441" ; chebi:monoisotopicmass "361.05548" ; chebi:smiles "COC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103848" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]benzenesulfonamide" . obo:CHEBI_103849 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C24H27N2O" ; chebi:inchi "InChI=1S/C24H27N2O/c1-18-7-11-20(12-8-18)22-16-25(24-6-4-3-5-15-26(22)24)17-23(27)21-13-9-19(2)10-14-21/h7-14,16H,3-6,15,17H2,1-2H3/q+1" ; chebi:inchikey "IFHMUNAIFQSUDX-UHFFFAOYSA-N" ; chebi:mass "359.485" ; chebi:monoisotopicmass "359.21179" ; chebi:smiles "CC1=CC=C(C=C1)C2=C[N+](=C3N2CCCCC3)CC(=O)C4=CC=C(C=C4)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103849" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-methylphenyl)-2-[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]ethanone" . obo:CHEBI_10385 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17723 ; owl:deprecated true . obo:CHEBI_103850 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22723 ; chebi:charge "0" ; chebi:formula "C11H9NO2S" ; chebi:inchi "InChI=1S/C11H9NO2S/c1-7-12-10(6-15-7)8-2-4-9(5-3-8)11(13)14/h2-6H,1H3,(H,13,14)" ; chebi:inchikey "NYJHTTLXERQUIV-UHFFFAOYSA-N" ; chebi:mass "219.261" ; chebi:monoisotopicmass "219.03540" ; chebi:smiles "CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103850" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(2-methyl-4-thiazolyl)benzoic acid" . obo:CHEBI_103851 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22723 ; chebi:charge "0" ; chebi:formula "C19H23N3O3S" ; chebi:inchi "InChI=1S/C19H23N3O3S/c1-12(2)9-14-10-19(3,25-17(14)24)15-11-26-18(20-15)22-21-16(23)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,20,22)(H,21,23)" ; chebi:inchikey "SUGQVMVKDZYGDL-UHFFFAOYSA-N" ; chebi:mass "373.471" ; chebi:monoisotopicmass "373.14601" ; chebi:smiles "CC(C)CC1CC(OC1=O)(C)C2=CSC(=N2)NNC(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103851" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N'-[4-[2-methyl-4-(2-methylpropyl)-5-oxo-2-oxolanyl]-2-thiazolyl]benzohydrazide" . obo:CHEBI_103852 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22715 ; chebi:charge "0" ; chebi:formula "C16H15BrN2O2S2" ; chebi:inchi "InChI=1S/C16H15BrN2O2S2/c1-3-21-10-4-5-12-11(8-10)18-16(19(12)2)22-9-13(20)14-6-7-15(17)23-14/h4-8H,3,9H2,1-2H3" ; chebi:inchikey "UMTUPPUVIHTRPI-UHFFFAOYSA-N" ; chebi:mass "411.339" ; chebi:monoisotopicmass "409.97583" ; chebi:smiles "CCOC1=CC2=C(C=C1)N(C(=N2)SCC(=O)C3=CC=C(S3)Br)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103852" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(5-bromo-2-thiophenyl)-2-[(5-ethoxy-1-methyl-2-benzimidazolyl)thio]ethanone" . obo:CHEBI_103853 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "0" ; chebi:formula "C22H24Cl2N4O" ; chebi:inchi "InChI=1S/C22H24Cl2N4O/c23-17-9-8-16(14-18(17)24)21(29)15-28-20-7-3-2-6-19(20)27(22(28)25)13-12-26-10-4-1-5-11-26/h2-3,6-9,14,25H,1,4-5,10-13,15H2" ; chebi:inchikey "GXFUZNHIKQMEJC-UHFFFAOYSA-N" ; chebi:mass "431.359" ; chebi:monoisotopicmass "430.13272" ; chebi:smiles "C1CCN(CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=C(C=C4)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103853" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,4-dichlorophenyl)-2-[2-imino-3-[2-(1-piperidinyl)ethyl]-1-benzimidazolyl]ethanone" . obo:CHEBI_103854 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36786 ; chebi:charge "0" ; chebi:formula "C14H19N3O3S" ; chebi:inchi "InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)" ; chebi:inchikey "OQFCXJDXHCDLHX-UHFFFAOYSA-N" ; chebi:mass "309.386" ; chebi:monoisotopicmass "309.11471" ; chebi:smiles "CS(=O)(=O)NC1=C(C=CC2=C1CCCC2C3=NCCN3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103854" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide" . obo:CHEBI_103855 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35338 ; chebi:charge "0" ; chebi:formula "C9H13NO" ; chebi:inchi "InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3" ; chebi:inchikey "GIKNHHRFLCDOEU-UHFFFAOYSA-N" ; chebi:mass "151.206" ; chebi:monoisotopicmass "151.09971" ; chebi:smiles "CC(CC1=CC=C(C=C1)O)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103855" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(2-aminopropyl)phenol" . obo:CHEBI_103856 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C26H31BrNO3S" ; chebi:inchi "InChI=1S/C26H31BrNO3S/c1-17-24(32-16-28(17)15-23(29)21-2-4-22(27)5-3-21)6-7-31-25(30)14-26-11-18-8-19(12-26)10-20(9-18)13-26/h2-5,16,18-20H,6-15H2,1H3/q+1" ; chebi:inchikey "NOLFVWIVGUIDAF-UHFFFAOYSA-N" ; chebi:mass "517.500" ; chebi:monoisotopicmass "516.12025" ; chebi:smiles "CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)Br)CCOC(=O)CC34CC5CC(C3)CC(C5)C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103856" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(1-adamantyl)acetic acid 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester" . obo:CHEBI_103857 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C21H22ClN2O" ; chebi:inchi "InChI=1S/C21H22ClN2O/c1-25-19-12-6-16(7-13-19)20-15-24(18-10-8-17(22)9-11-18)21-5-3-2-4-14-23(20)21/h6-13,15H,2-5,14H2,1H3/q+1" ; chebi:inchikey "VQHSVULGRFPZKL-UHFFFAOYSA-N" ; chebi:mass "353.866" ; chebi:monoisotopicmass "353.14152" ; chebi:smiles "COC1=CC=C(C=C1)C2=CN(C3=[N+]2CCCCC3)C4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103857" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium" . obo:CHEBI_103858 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C21H21BrClN2" ; chebi:inchi "InChI=1S/C21H21BrClN2/c22-18-9-5-16(6-10-18)14-24-15-20(17-7-11-19(23)12-8-17)25-13-3-1-2-4-21(24)25/h5-12,15H,1-4,13-14H2/q+1" ; chebi:inchikey "VGTLRNPQZKPXHY-UHFFFAOYSA-N" ; chebi:mass "416.762" ; chebi:monoisotopicmass "415.05712" ; chebi:smiles "C1CCC2=[N+](C=C(N2CC1)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103858" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium" . obo:CHEBI_103859 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38976 ; chebi:charge "+1" ; chebi:formula "C26H40NO" ; chebi:inchi "InChI=1S/C26H40NO/c1-8-25(4,5)22-14-15-24(23(19-22)26(6,7)9-2)28-18-11-10-16-27-17-12-13-21(3)20-27/h12-15,17,19-20H,8-11,16,18H2,1-7H3/q+1" ; chebi:inchikey "PDJZSOPTHHVYSX-UHFFFAOYSA-N" ; chebi:mass "382.603" ; chebi:monoisotopicmass "382.31044" ; chebi:smiles "CCC(C)(C)C1=CC(=C(C=C1)OCCCC[N+]2=CC=CC(=C2)C)C(C)(C)CC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103859" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methylpyridin-1-ium" . obo:CHEBI_10386 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15876 ; owl:deprecated true . obo:CHEBI_103860 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C21H22ClN2O" ; chebi:inchi "InChI=1S/C21H22ClN2O/c1-25-19-12-10-18(11-13-19)24-20(16-6-8-17(22)9-7-16)15-23-14-4-2-3-5-21(23)24/h6-13,15H,2-5,14H2,1H3/q+1" ; chebi:inchikey "CJTUEBYSLRDGIV-UHFFFAOYSA-N" ; chebi:mass "353.866" ; chebi:monoisotopicmass "353.14152" ; chebi:smiles "COC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C=C2C4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103860" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-chlorophenyl)-1-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium" . obo:CHEBI_103861 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; chebi:charge "+1" ; chebi:formula "C26H24NO" ; chebi:inchi "InChI=1S/C26H24NO/c1-2-9-23(10-3-1)11-7-17-27(19-21-28-22-20-27)18-8-15-25-14-6-13-24-12-4-5-16-26(24)25/h1-6,9-10,12-14,16H,17-22H2/q+1" ; chebi:inchikey "CUICAVLQGXKHLF-UHFFFAOYSA-N" ; chebi:mass "366.476" ; chebi:monoisotopicmass "366.18524" ; chebi:smiles "C1COCC[N+]1(CC#CC2=CC=CC=C2)CC#CC3=CC=CC4=CC=CC=C43" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103861" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[3-(1-naphthalenyl)prop-2-ynyl]-4-(3-phenylprop-2-ynyl)morpholin-4-ium" . obo:CHEBI_103862 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22715 ; chebi:charge "0" ; chebi:formula "C15H13BrN2O2S2" ; chebi:inchi "InChI=1S/C15H13BrN2O2S2/c1-18-11-4-3-9(20-2)7-10(11)17-15(18)21-8-12(19)13-5-6-14(16)22-13/h3-7H,8H2,1-2H3" ; chebi:inchikey "KYWBSXBSDBEGKE-UHFFFAOYSA-N" ; chebi:mass "397.312" ; chebi:monoisotopicmass "395.96018" ; chebi:smiles "CN1C2=C(C=C(C=C2)OC)N=C1SCC(=O)C3=CC=C(S3)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103862" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(5-bromo-2-thiophenyl)-2-[(5-methoxy-1-methyl-2-benzimidazolyl)thio]ethanone" . obo:CHEBI_103863 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48975 ; chebi:charge "+1" ; chebi:formula "C17H16FN2OS" ; chebi:inchi "InChI=1S/C17H16FN2OS/c18-14-8-6-13(7-9-14)17(21)12-19(15-4-2-1-3-5-15)16-20(17)10-11-22-16/h1-9,21H,10-12H2/q+1" ; chebi:inchikey "LWQDKRRUELJQKU-UHFFFAOYSA-N" ; chebi:mass "315.387" ; chebi:monoisotopicmass "315.09619" ; chebi:smiles "C1CSC2=[N+]1C(CN2C3=CC=CC=C3)(C4=CC=C(C=C4)F)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103863" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-(4-fluorophenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b]thiazol-4-ium-5-ol" . obo:CHEBI_103864 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C22H23F2N2O" ; chebi:inchi "InChI=1S/C22H23F2N2O/c1-16-6-8-17(9-7-16)20-15-26(21-5-3-2-4-14-25(20)21)18-10-12-19(13-11-18)27-22(23)24/h6-13,15,22H,2-5,14H2,1H3/q+1" ; chebi:inchikey "XVVQRDYLCFKZMM-UHFFFAOYSA-N" ; chebi:mass "369.428" ; chebi:monoisotopicmass "369.17730" ; chebi:smiles "CC1=CC=C(C=C1)C2=CN(C3=[N+]2CCCCC3)C4=CC=C(C=C4)OC(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103864" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium" . obo:CHEBI_103865 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C22H24BrN2S" ; chebi:inchi "InChI=1S/C22H24BrN2S/c1-22(2,3)17-7-5-16(6-8-17)20-15-25(19-11-9-18(23)10-12-19)21-24(20)13-4-14-26-21/h5-12,15H,4,13-14H2,1-3H3/q+1" ; chebi:inchikey "YBXZOFGBMWVTIK-UHFFFAOYSA-N" ; chebi:mass "428.410" ; chebi:monoisotopicmass "427.08381" ; chebi:smiles "CC(C)(C)C1=CC=C(C=C1)C2=CN(C3=[N+]2CCCS3)C4=CC=C(C=C4)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103865" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-bromophenyl)-3-(4-tert-butylphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-4-ium" . obo:CHEBI_103866 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "+1" ; chebi:formula "C28H29BrNO2" ; chebi:inchi "InChI=1S/C28H29BrNO2/c29-25-13-11-22(12-14-25)27(31)20-30-17-15-21(16-18-30)26(19-30)28(32,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,26,32H,15-20H2/q+1" ; chebi:inchikey "JHQFDHSPOYHZMH-UHFFFAOYSA-N" ; chebi:mass "491.440" ; chebi:monoisotopicmass "490.13762" ; chebi:smiles "C1C[N+]2(CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC(=O)C5=CC=C(C=C5)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103866" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-bromophenyl)-2-[3-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanone" . obo:CHEBI_103867 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C24H20ClN2O" ; chebi:inchi "InChI=1S/C24H20ClN2O/c1-28-21-13-11-20(12-14-21)27-23(18-6-9-19(25)10-7-18)16-26-22-5-3-2-4-17(22)8-15-24(26)27/h2-7,9-14,16H,8,15H2,1H3/q+1" ; chebi:inchikey "LLCHPKABGFRGHB-UHFFFAOYSA-N" ; chebi:mass "387.882" ; chebi:monoisotopicmass "387.12587" ; chebi:smiles "COC1=CC=C(C=C1)N2C3=[N+](C=C2C4=CC=C(C=C4)Cl)C5=CC=CC=C5CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103867" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium" . obo:CHEBI_103868 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "+1" ; chebi:formula "C20H21N4O2S" ; chebi:inchi "InChI=1S/C20H20N4O2S/c1-3-13-24-18(15-9-11-17(26-2)12-10-15)14-27-20(24)23-22-19(25)21-16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3,(H2,21,22,25)/p+1" ; chebi:inchikey "JAADJIYHZHDCSG-UHFFFAOYSA-O" ; chebi:mass "381.473" ; chebi:monoisotopicmass "381.13797" ; chebi:smiles "COC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NNC(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103868" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-2-thiazol-3-iumyl]amino]-3-phenylurea" . obo:CHEBI_103869 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C22H24BrN2O" ; chebi:inchi "InChI=1S/C22H24BrN2O/c1-2-26-20-13-11-19(12-14-20)25-21(17-7-9-18(23)10-8-17)16-24-15-5-3-4-6-22(24)25/h7-14,16H,2-6,15H2,1H3/q+1" ; chebi:inchikey "YFYTWDJVYRDONY-UHFFFAOYSA-N" ; chebi:mass "412.343" ; chebi:monoisotopicmass "411.10665" ; chebi:smiles "CCOC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C=C2C4=CC=C(C=C4)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103869" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium" . obo:CHEBI_10387 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16117 ; owl:deprecated true . obo:CHEBI_103870 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38260 ; chebi:charge "0" ; chebi:formula "C16H16N4O2S" ; chebi:inchi "InChI=1S/C16H16N4O2S/c1-10(2)18-19-16-17-13(9-23-16)11-3-5-12(6-4-11)20-14(21)7-8-15(20)22/h3-6,9H,7-8H2,1-2H3,(H,17,19)" ; chebi:inchikey "WHSGRBCODMWCOM-UHFFFAOYSA-N" ; chebi:mass "328.391" ; chebi:monoisotopicmass "328.09940" ; chebi:smiles "CC(=NNC1=NC(=CS1)C2=CC=C(C=C2)N3C(=O)CCC3=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103870" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-[2-(2-propan-2-ylidenehydrazinyl)-4-thiazolyl]phenyl]pyrrolidine-2,5-dione" . obo:CHEBI_103871 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C17H16ClN3" ; chebi:inchi "InChI=1S/C17H16ClN3/c18-14-7-8-17-19-15(12-21(17)10-14)11-20-9-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-8,10,12H,3,5,9,11H2" ; chebi:inchikey "QZAITRZFFWETMC-UHFFFAOYSA-N" ; chebi:mass "297.783" ; chebi:monoisotopicmass "297.10328" ; chebi:smiles "C1CC2=CC=CC=C2N(C1)CC3=CN4C=C(C=CC4=N3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103871" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(6-chloro-2-imidazo[1,2-a]pyridinyl)methyl]-3,4-dihydro-2H-quinoline" . obo:CHEBI_103872 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C19H19N5OS" ; chebi:inchi "InChI=1S/C19H19N5OS/c1-2-3-18(25)22-16-6-4-15(5-7-16)17-13-26-19(23-17)24-21-12-14-8-10-20-11-9-14/h4-13H,2-3H2,1H3,(H,22,25)(H,23,24)" ; chebi:inchikey "ODQKSIYNQROGSR-UHFFFAOYSA-N" ; chebi:mass "365.454" ; chebi:monoisotopicmass "365.13103" ; chebi:smiles "CCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NN=CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103872" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[4-[2-[2-(pyridin-4-ylmethylidene)hydrazinyl]-4-thiazolyl]phenyl]butanamide" . obo:CHEBI_103873 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47918 ; chebi:charge "+1" ; chebi:formula "C12H11N2OS" ; chebi:inchi "InChI=1S/C12H11N2OS/c15-9-13-6-5-12-14(7-8-16-12)11-4-2-1-3-10(11)13/h1-4,7-9H,5-6H2/q+1" ; chebi:inchikey "VQYRZZSYTUTGOW-UHFFFAOYSA-N" ; chebi:mass "231.295" ; chebi:monoisotopicmass "231.05866" ; chebi:smiles "C1CN(C2=CC=CC=C2[N+]3=C1SC=C3)C=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103873" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,5-dihydrothiazolo[2,3-d][1,5]benzodiazepin-11-ium-6-carboxaldehyde" . obo:CHEBI_103874 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C19H18N4OS" ; chebi:inchi "InChI=1S/C19H18N4OS/c1-13(15-6-4-3-5-7-15)22-23-19-21-18(12-25-19)16-8-10-17(11-9-16)20-14(2)24/h3-12H,1-2H3,(H,20,24)(H,21,23)" ; chebi:inchikey "CPAWHXGQQUWODG-UHFFFAOYSA-N" ; chebi:mass "350.439" ; chebi:monoisotopicmass "350.12013" ; chebi:smiles "CC(=NNC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103874" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[4-[2-[2-(1-phenylethylidene)hydrazinyl]-4-thiazolyl]phenyl]acetamide" . obo:CHEBI_103875 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C23H19N2OS2" ; chebi:inchi "InChI=1S/C23H19N2OS2/c26-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)15-24-12-13-25-20(16-28-23(24)25)22-7-4-14-27-22/h1-11,14,16H,12-13,15H2/q+1" ; chebi:inchikey "QNXBHVSYEIXHAP-UHFFFAOYSA-N" ; chebi:mass "403.543" ; chebi:monoisotopicmass "403.09333" ; chebi:smiles "C1C[N+](=C2N1C(=CS2)C3=CC=CS3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103875" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-phenylphenyl)-2-(3-thiophen-2-yl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium-7-yl)ethanone" . obo:CHEBI_103876 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C18H16NO" ; chebi:inchi "InChI=1S/C18H16NO/c1-14-11-12-19(17-10-6-5-9-16(14)17)13-18(20)15-7-3-2-4-8-15/h2-12H,13H2,1H3/q+1" ; chebi:inchikey "JXXFWNOEDPEZBN-UHFFFAOYSA-N" ; chebi:mass "262.326" ; chebi:monoisotopicmass "262.12264" ; chebi:smiles "CC1=CC=[N+](C2=CC=CC=C12)CC(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103876" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-methyl-1-quinolin-1-iumyl)-1-phenylethanone" . obo:CHEBI_103877 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "+1" ; chebi:formula "C27H22N3O3" ; chebi:inchi "InChI=1S/C27H21N3O3/c31-25(20-13-15-23(16-14-20)28-26(32)21-8-3-1-4-9-21)19-30-17-7-12-24(18-30)29-27(33)22-10-5-2-6-11-22/h1-18H,19H2,(H-,28,29,31,32,33)/p+1" ; chebi:inchikey "VARJULNXGISUBP-UHFFFAOYSA-O" ; chebi:mass "436.483" ; chebi:monoisotopicmass "436.16557" ; chebi:smiles "C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=CC(=C3)NC(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103877" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[4-[2-(3-benzamido-1-pyridin-1-iumyl)-1-oxoethyl]phenyl]benzamide" . obo:CHEBI_103878 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "0" ; chebi:formula "C22H17ClN4O3" ; chebi:inchi "InChI=1S/C22H17ClN4O3/c23-18-6-2-1-5-16(18)13-25-19-7-3-4-8-20(19)26(22(25)24)14-21(28)15-9-11-17(12-10-15)27(29)30/h1-12,24H,13-14H2" ; chebi:inchikey "UIVWGIHEWXLCLW-UHFFFAOYSA-N" ; chebi:mass "420.849" ; chebi:monoisotopicmass "420.09892" ; chebi:smiles "C1=CC=C(C(=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103878" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[3-[(2-chlorophenyl)methyl]-2-imino-1-benzimidazolyl]-1-(4-nitrophenyl)ethanone" . obo:CHEBI_103879 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35716 ; chebi:charge "+1" ; chebi:formula "C13H12N3O3S" ; chebi:inchi "InChI=1S/C13H12N3O3S/c1-9(17)14-6-7-15-12(8-20-13(14)15)10-2-4-11(5-3-10)16(18)19/h2-5,8H,6-7H2,1H3/q+1" ; chebi:inchikey "ICMZPORYJMYECY-UHFFFAOYSA-N" ; chebi:mass "290.319" ; chebi:monoisotopicmass "290.05939" ; chebi:smiles "CC(=O)[N+]1=C2N(CC1)C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103879" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b]thiazol-7-ium-7-yl]ethanone" . obo:CHEBI_10388 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17571 ; owl:deprecated true . obo:CHEBI_103880 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_64096 ; chebi:charge "+1" ; chebi:formula "C23H20NO3" ; chebi:inchi "InChI=1S/C23H20NO3/c25-21(20-8-9-22-23(16-20)27-15-14-26-22)17-24-12-10-19(11-13-24)7-6-18-4-2-1-3-5-18/h1-13,16H,14-15,17H2/q+1" ; chebi:inchikey "OJKCNTHDYHCWIV-UHFFFAOYSA-N" ; chebi:mass "358.411" ; chebi:monoisotopicmass "358.14377" ; chebi:smiles "C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)C=CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103880" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-phenylethenyl)-1-pyridin-1-iumyl]ethanone" . obo:CHEBI_103881 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; chebi:charge "0" ; chebi:formula "C17H15ClN2S" ; chebi:inchi "InChI=1S/C17H15ClN2S/c1-2-3-15-10-13(8-9-19-15)17-20-16(11-21-17)12-4-6-14(18)7-5-12/h4-11H,2-3H2,1H3" ; chebi:inchikey "QAIDAYZZJYOOJH-UHFFFAOYSA-N" ; chebi:mass "314.834" ; chebi:monoisotopicmass "314.06445" ; chebi:smiles "CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103881" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)thiazole" . obo:CHEBI_103882 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H19N5O4S2" ; chebi:inchi "InChI=1S/C21H19N5O4S2/c1-29-19-12-18(24-20(25-19)30-2)26-32(27,28)16-10-8-15(9-11-16)22-21-23-17(13-31-21)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23)(H,24,25,26)" ; chebi:inchikey "JHJYBVWCLIATGY-UHFFFAOYSA-N" ; chebi:mass "469.540" ; chebi:monoisotopicmass "469.08785" ; chebi:smiles "COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=CC=CC=C4)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103882" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(4-phenyl-2-thiazolyl)amino]benzenesulfonamide" . obo:CHEBI_103883 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C28H36NO3S" ; chebi:inchi "InChI=1S/C28H36NO3S/c1-20-23(33-19-29(20)12-22(30)21-8-6-5-7-9-21)10-11-32-24(31)28-16-25(2)13-26(3,17-28)15-27(4,14-25)18-28/h5-9,19H,10-18H2,1-4H3/q+1" ; chebi:inchikey "XUFGIZSDNNALQR-UHFFFAOYSA-N" ; chebi:mass "466.657" ; chebi:monoisotopicmass "466.24104" ; chebi:smiles "CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C34CC5(CC(C3)(CC(C5)(C4)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103883" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,5,7-trimethyl-1-adamantanecarboxylic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester" . obo:CHEBI_103884 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C15H13N3O2S2" ; chebi:inchi "InChI=1S/C15H13N3O2S2/c16-22(19,20)13-8-6-12(7-9-13)17-15-18-14(10-21-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H2,16,19,20)" ; chebi:inchikey "KFJKXRMGGSTLSO-UHFFFAOYSA-N" ; chebi:mass "331.415" ; chebi:monoisotopicmass "331.04492" ; chebi:smiles "C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103884" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4-phenyl-2-thiazolyl)amino]benzenesulfonamide" . obo:CHEBI_103885 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C22H23BrClN4O" ; chebi:inchi "InChI=1S/C22H23BrClN4O/c23-17-7-5-16(6-8-17)20(29)15-28-22-4-2-1-3-13-27(22)21(26-28)14-25-19-11-9-18(24)10-12-19/h5-12,25H,1-4,13-15H2/q+1" ; chebi:inchikey "TXETVFLRKCMROY-UHFFFAOYSA-N" ; chebi:mass "474.802" ; chebi:monoisotopicmass "473.07383" ; chebi:smiles "C1CCC2=[N+](CC1)C(=NN2CC(=O)C3=CC=C(C=C3)Br)CNC4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103885" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-bromophenyl)-2-[3-[(4-chloroanilino)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-4-ium-1-yl]ethanone" . obo:CHEBI_103886 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C19H18NO2" ; chebi:inchi "InChI=1S/C19H18NO2/c1-14-18-6-4-3-5-15(18)11-12-20(14)13-19(21)16-7-9-17(22-2)10-8-16/h3-12H,13H2,1-2H3/q+1" ; chebi:inchikey "YJAVIBSBWLCIMY-UHFFFAOYSA-N" ; chebi:mass "292.352" ; chebi:monoisotopicmass "292.13321" ; chebi:smiles "CC1=[N+](C=CC2=CC=CC=C12)CC(=O)C3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103886" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-methoxyphenyl)-2-(1-methyl-2-isoquinolin-2-iumyl)ethanone" . obo:CHEBI_103887 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C21H17N2S" ; chebi:inchi "InChI=1S/C21H17N2S/c1-2-8-17(9-3-1)23-19(20-11-6-14-24-20)15-22-18-10-5-4-7-16(18)12-13-21(22)23/h1-11,14-15H,12-13H2/q+1" ; chebi:inchikey "GQURBCLQYBAANB-UHFFFAOYSA-N" ; chebi:mass "329.440" ; chebi:monoisotopicmass "329.11070" ; chebi:smiles "C1CC2=[N+](C=C(N2C3=CC=CC=C3)C4=CC=CS4)C5=CC=CC=C51" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103887" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-phenyl-2-thiophen-2-yl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium" . obo:CHEBI_103888 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "+1" ; chebi:formula "C11H17N2O2" ; chebi:inchi "InChI=1S/C11H17N2O2/c1-4-12(5-2)11(14)13-8-6-10(15-3)7-9-13/h6-9H,4-5H2,1-3H3/q+1" ; chebi:inchikey "HUKCQESITGCOHV-UHFFFAOYSA-N" ; chebi:mass "209.265" ; chebi:monoisotopicmass "209.12845" ; chebi:smiles "CCN(CC)C(=O)[N+]1=CC=C(C=C1)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103888" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N,N-diethyl-4-methoxy-1-pyridin-1-iumcarboxamide" . obo:CHEBI_103889 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C17H15N3O4S2" ; chebi:inchi "InChI=1S/C17H15N3O4S2/c1-11(21)24-14-6-2-12(3-7-14)16-10-25-17(20-16)19-13-4-8-15(9-5-13)26(18,22)23/h2-10H,1H3,(H,19,20)(H2,18,22,23)" ; chebi:inchikey "UBBZNTOMSLRFTE-UHFFFAOYSA-N" ; chebi:mass "389.452" ; chebi:monoisotopicmass "389.05040" ; chebi:smiles "CC(=O)OC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103889" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "acetic acid [4-[2-(4-sulfamoylanilino)-4-thiazolyl]phenyl] ester" . obo:CHEBI_103890 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C24H16N2O2S" ; chebi:inchi "InChI=1S/C24H16N2O2S/c27-19-13-7-8-16(14-19)15-20-23(28)26-22(18-11-5-2-6-12-18)21(25-24(26)29-20)17-9-3-1-4-10-17/h1-15,27H" ; chebi:inchikey "REHFCQCKUSKXCO-UHFFFAOYSA-N" ; chebi:mass "396.463" ; chebi:monoisotopicmass "396.09325" ; chebi:smiles "C1=CC=C(C=C1)C2=C(N3C(=O)C(=CC4=CC(=CC=C4)O)SC3=N2)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103890" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3-hydroxyphenyl)methylidene]-5,6-diphenyl-3-imidazo[2,1-b]thiazolone" . obo:CHEBI_103891 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48975 ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C19H15N3O2S3" ; chebi:inchi "InChI=1S/C19H15N3O2S3/c1-11-7-3-4-8-12(11)21-16-15(27-19(21)26)17(23)22(18(25)20-16)13-9-5-6-10-14(13)24-2/h3-10H,1-2H3,(H,20,25)" ; chebi:inchikey "MJVUHJPNTJMSAN-UHFFFAOYSA-N" ; chebi:mass "413.540" ; chebi:monoisotopicmass "413.03264" ; chebi:smiles "CC1=CC=CC=C1N2C3=C(C(=O)N(C(=S)N3)C4=CC=CC=C4OC)SC2=S" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103891" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-(2-methoxyphenyl)-3-(2-methylphenyl)-2,5-bis(sulfanylidene)-4H-thiazolo[4,5-d]pyrimidin-7-one" . obo:CHEBI_103892 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C19H21FN2O2S" ; chebi:inchi "InChI=1S/C19H21FN2O2S/c1-12-16-11-18(24-3)17(23-2)10-13(16)8-9-22(12)19(25)21-15-6-4-14(20)5-7-15/h4-7,10-12H,8-9H2,1-3H3,(H,21,25)/t12-/m0/s1" ; chebi:inchikey "NXNWXRXLSFGZDX-LBPRGKRZSA-N" ; chebi:mass "360.447" ; chebi:monoisotopicmass "360.13078" ; chebi:smiles "C[C@H]1C2=CC(=C(C=C2CCN1C(=S)NC3=CC=C(C=C3)F)OC)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103892" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(1S)-N-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide" . obo:CHEBI_103893 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; rdfs:subClassOf obo:CHEBI_38530 ; obo:IAO_0000115 "A member of the class of quinazolines that is quinazoline which is substituted by a 2-methylpiperidin-1-yl group at position 4." ; chebi:charge "0" ; chebi:formula "C14H17N3" ; chebi:inchi "InChI=1S/C14H17N3/c1-11-6-4-5-9-17(11)14-12-7-2-3-8-13(12)15-10-16-14/h2-3,7-8,10-11H,4-6,9H2,1H3" ; chebi:inchikey "BOEIMGXBJBIBFB-UHFFFAOYSA-N" ; chebi:mass "227.311" ; chebi:monoisotopicmass "227.14225" ; chebi:smiles "CC1CCCCN1C2=NC=NC3=CC=CC=C32" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103893" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "4-(2-methylpiperidin-1-yl)quinazoline" . obo:CHEBI_103894 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C17H21NO" ; chebi:inchi "InChI=1S/C17H21NO/c1-13(18(2)3)15-11-7-8-12-16(15)17(19)14-9-5-4-6-10-14/h4-13,17,19H,1-3H3" ; chebi:inchikey "LISUDWGNQOAYJR-UHFFFAOYSA-N" ; chebi:mass "255.355" ; chebi:monoisotopicmass "255.16231" ; chebi:smiles "CC(C1=CC=CC=C1C(C2=CC=CC=C2)O)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103894" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[2-[1-(dimethylamino)ethyl]phenyl]-phenylmethanol" . obo:CHEBI_103895 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22213 ; chebi:charge "0" ; chebi:formula "C18H23N" ; chebi:inchi "InChI=1S/C18H23N/c1-12-14-7-5-6-8-16(14)19-17-10-9-13(11-15(12)17)18(2,3)4/h5-8,13H,9-11H2,1-4H3" ; chebi:inchikey "UJQXZVLPQFZFJK-UHFFFAOYSA-N" ; chebi:mass "253.383" ; chebi:monoisotopicmass "253.18305" ; chebi:smiles "CC1=C2CC(CCC2=NC3=CC=CC=C13)C(C)(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103895" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-tert-butyl-9-methyl-1,2,3,4-tetrahydroacridine" . obo:CHEBI_103896 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25961 ; chebi:charge "0" ; chebi:formula "C18H19N" ; chebi:inchi "InChI=1S/C18H19N/c1-13-10-15-9-8-14-6-4-5-7-17(14)18(15)11-16(13)12-19(2)3/h4-11H,12H2,1-3H3" ; chebi:inchikey "SHHGHUVUBNVWJE-UHFFFAOYSA-N" ; chebi:mass "249.351" ; chebi:monoisotopicmass "249.15175" ; chebi:smiles "CC1=C(C=C2C(=C1)C=CC3=CC=CC=C32)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103896" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N,N-dimethyl-1-(2-methyl-3-phenanthrenyl)methanamine" . obo:CHEBI_103897 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C8H9ClN2S" ; chebi:inchi "InChI=1S/C8H9ClN2S/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)" ; chebi:inchikey "SFKYKNIIEFCNBX-UHFFFAOYSA-N" ; chebi:mass "200.690" ; chebi:monoisotopicmass "200.01750" ; chebi:smiles "C1=CC=C(C(=C1)CSC(=N)N)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103897" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "carbamimidothioic acid (2-chlorophenyl)methyl ester" . obo:CHEBI_103898 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25384 ; chebi:charge "0" ; chebi:formula "C15H21NO3" ; chebi:inchi "InChI=1S/C15H21NO3/c1-12-4-3-5-14(10-12)18-11-15(17)19-13-6-8-16(2)9-7-13/h3-5,10,13H,6-9,11H2,1-2H3" ; chebi:inchikey "CFQXGQAJHWHLAO-UHFFFAOYSA-N" ; chebi:mass "263.333" ; chebi:monoisotopicmass "263.15214" ; chebi:smiles "CC1=CC(=CC=C1)OCC(=O)OC2CCN(CC2)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103898" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(3-methylphenoxy)acetic acid (1-methyl-4-piperidinyl) ester" . obo:CHEBI_103899 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C12H18BrN" ; chebi:inchi "InChI=1S/C12H18BrN/c1-2-3-4-8-14-10-11-6-5-7-12(13)9-11/h5-7,9,14H,2-4,8,10H2,1H3" ; chebi:inchikey "JBXQBLGZXVYITJ-UHFFFAOYSA-N" ; chebi:mass "256.182" ; chebi:monoisotopicmass "255.06226" ; chebi:smiles "CCCCCNCC1=CC(=CC=C1)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103899" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-bromophenyl)methyl]-1-pentanamine" . obo:CHEBI_1039 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17337 ; owl:deprecated true . obo:CHEBI_10390 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17006 ; owl:deprecated true . obo:CHEBI_103900 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38530 ; chebi:charge "0" ; chebi:formula "C21H20N4O3" ; chebi:inchi "InChI=1S/C21H20N4O3/c1-26-14-9-10-19(27-2)18(12-14)24-21-23-17-8-4-3-7-16(17)20(25-21)22-13-15-6-5-11-28-15/h3-12H,13H2,1-2H3,(H2,22,23,24,25)" ; chebi:inchikey "QSPBFFYAMKWNTF-UHFFFAOYSA-N" ; chebi:mass "376.409" ; chebi:monoisotopicmass "376.15354" ; chebi:smiles "COC1=CC(=C(C=C1)OC)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103900" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N2-(2,5-dimethoxyphenyl)-N4-(2-furanylmethyl)quinazoline-2,4-diamine" . obo:CHEBI_103901 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "+1" ; chebi:formula "C26H36ClN2O2" ; chebi:inchi "InChI=1S/C26H36ClN2O2/c1-18(2)22-13-8-19(3)15-24(22)31-26(30)17-28-16-23(20-9-11-21(27)12-10-20)29-14-6-4-5-7-25(28)29/h9-12,16,18-19,22,24H,4-8,13-15,17H2,1-3H3/q+1/t19-,22+,24-/m1/s1" ; chebi:inchikey "OWJNNMGFSZEVIL-WNOPAQSVSA-N" ; chebi:mass "444.030" ; chebi:monoisotopicmass "443.24598" ; chebi:smiles "C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[N+]2=C3CCCCCN3C(=C2)C4=CC=C(C=C4)Cl)C(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103901" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]acetic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester" . obo:CHEBI_103902 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "0" ; chebi:formula "C18H27NO2" ; chebi:inchi "InChI=1S/C18H27NO2/c1-15(2)14-21-17-8-6-16(7-9-17)18(20)10-13-19-11-4-3-5-12-19/h6-9,15H,3-5,10-14H2,1-2H3" ; chebi:inchikey "ZOQKGTTZAAQHHZ-UHFFFAOYSA-N" ; chebi:mass "289.413" ; chebi:monoisotopicmass "289.20418" ; chebi:smiles "CC(C)COC1=CC=C(C=C1)C(=O)CCN2CCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103902" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-(2-methylpropoxy)phenyl]-3-(1-piperidinyl)-1-propanone" . obo:CHEBI_103903 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48436 ; chebi:charge "+1" ; chebi:formula "C23H25N2O3S" ; chebi:inchi "InChI=1S/C23H24N2O3S/c1-4-28-23(27)21-16(2)17(3)29-22(21)24-20(26)15-25-12-10-19(11-13-25)14-18-8-6-5-7-9-18/h5-13H,4,14-15H2,1-3H3/p+1" ; chebi:inchikey "YBDWDRXHWHCSJW-UHFFFAOYSA-O" ; chebi:mass "409.523" ; chebi:monoisotopicmass "409.15804" ; chebi:smiles "CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103903" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,5-dimethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester" . obo:CHEBI_103904 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; chebi:charge "0" ; chebi:formula "C21H28N2O2" ; chebi:inchi "InChI=1S/C21H28N2O2/c1-2-14-25-21-9-8-18-6-3-4-7-19(18)20(21)17-22-10-5-11-23-12-15-24-16-13-23/h2-4,6-9,22H,1,5,10-17H2" ; chebi:inchikey "PFYNDXDDRGSFNJ-UHFFFAOYSA-N" ; chebi:mass "340.460" ; chebi:monoisotopicmass "340.21508" ; chebi:smiles "C=CCOC1=C(C2=CC=CC=C2C=C1)CNCCCN3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103904" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-morpholinyl)-N-[(2-prop-2-enoxy-1-naphthalenyl)methyl]-1-propanamine" . obo:CHEBI_103905 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38460 ; chebi:charge "0" ; chebi:formula "C18H25N3O" ; chebi:inchi "InChI=1S/C18H25N3O/c1-5-19(6-2)10-11-20-16-9-7-8-15-13(3)14(4)21(18(15)16)12-17(20)22/h7-9H,5-6,10-12H2,1-4H3" ; chebi:inchikey "RJZQXZPRWWWLFS-UHFFFAOYSA-N" ; chebi:mass "299.411" ; chebi:monoisotopicmass "299.19976" ; chebi:smiles "CCN(CC)CCN1C(=O)CN2C(=C(C3=C2C1=CC=C3)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103905" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15258" . obo:CHEBI_103906 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26776 ; chebi:charge "0" ; chebi:formula "C19H22ClNO2" ; chebi:inchi "InChI=1S/C19H22ClNO2/c20-17-8-6-16(7-9-17)19(22)18(15-4-2-1-3-5-15)14-21-10-12-23-13-11-21/h1-9,18-19,22H,10-14H2" ; chebi:inchikey "FUDJAHCMDYNXAS-UHFFFAOYSA-N" ; chebi:mass "331.837" ; chebi:monoisotopicmass "331.13391" ; chebi:smiles "C1COCCN1CC(C2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103906" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-chlorophenyl)-3-(4-morpholinyl)-2-phenyl-1-propanol" . obo:CHEBI_103907 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C30H34N4O3S2" ; chebi:inchi "InChI=1S/C30H34N4O3S2/c1-4-22-10-15-27-28(20-22)38-30(31-27)34(18-7-17-32(2)3)29(35)24-11-13-26(14-12-24)39(36,37)33-19-16-23-8-5-6-9-25(23)21-33/h5-6,8-15,20H,4,7,16-19,21H2,1-3H3" ; chebi:inchikey "YLRRAAAQNUKZCI-UHFFFAOYSA-N" ; chebi:mass "562.749" ; chebi:monoisotopicmass "562.20723" ; chebi:smiles "CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103907" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide" . obo:CHEBI_103908 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36709 ; chebi:charge "0" ; chebi:formula "C18H18N2O" ; chebi:inchi "InChI=1S/C18H18N2O/c1-12-7-4-5-9-15(12)20-16-11-13(2)19-18-14(16)8-6-10-17(18)21-3/h4-11H,1-3H3,(H,19,20)" ; chebi:inchikey "LYANQLBZUJALFT-UHFFFAOYSA-N" ; chebi:mass "278.349" ; chebi:monoisotopicmass "278.14191" ; chebi:smiles "CC1=CC=CC=C1NC2=CC(=NC3=C2C=CC=C3OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103908" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "8-methoxy-2-methyl-N-(2-methylphenyl)-4-quinolinamine" . obo:CHEBI_103909 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C23H32N2O3" ; chebi:inchi "InChI=1S/C23H32N2O3/c1-5-27-21-15-19(16-24-14-13-18-9-7-6-8-10-18)11-12-20(21)28-17-22(26)25-23(2,3)4/h6-12,15,24H,5,13-14,16-17H2,1-4H3,(H,25,26)" ; chebi:inchikey "BYZUSZIWBZAANA-UHFFFAOYSA-N" ; chebi:mass "384.513" ; chebi:monoisotopicmass "384.24129" ; chebi:smiles "CCOC1=C(C=CC(=C1)CNCCC2=CC=CC=C2)OCC(=O)NC(C)(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103909" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-tert-butyl-2-[2-ethoxy-4-[(2-phenylethylamino)methyl]phenoxy]acetamide" . obo:CHEBI_10391 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16979 ; owl:deprecated true . obo:CHEBI_103910 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "0" ; chebi:formula "C18H18N4O6S" ; chebi:inchi "InChI=1S/C18H18N4O6S/c1-20(2)6-3-7-21(17(23)12-4-5-16(28-12)22(24)25)18-19-11-8-13-14(27-10-26-13)9-15(11)29-18/h4-5,8-9H,3,6-7,10H2,1-2H3" ; chebi:inchikey "VDBQQWBAIAAYEY-UHFFFAOYSA-N" ; chebi:mass "418.426" ; chebi:monoisotopicmass "418.09471" ; chebi:smiles "CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(O4)[N+](=O)[O-]" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103910" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5-nitro-2-furancarboxamide" . obo:CHEBI_103911 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38924 ; chebi:charge "0" ; chebi:formula "C22H25NO2S" ; chebi:inchi "InChI=1S/C22H25NO2S/c24-20-15-17-7-2-3-8-21(17)26-22-16-18(9-10-19(20)22)25-14-6-13-23-11-4-1-5-12-23/h2-3,7-10,16H,1,4-6,11-15H2" ; chebi:inchikey "HVBFDMQTIYPSNN-UHFFFAOYSA-N" ; chebi:mass "367.506" ; chebi:monoisotopicmass "367.16060" ; chebi:smiles "C1CCN(CC1)CCCOC2=CC3=C(C=C2)C(=O)CC4=CC=CC=C4S3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103911" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[3-(1-piperidinyl)propoxy]-6H-benzo[b][1]benzothiepin-5-one" . obo:CHEBI_103912 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C21H29NO" ; chebi:inchi "InChI=1S/C21H29NO/c1-20(13-6-7-14-20)21(23,19-11-4-2-5-12-19)15-10-18-22-16-8-3-9-17-22/h2,4-5,11-12,23H,3,6-9,13-14,16-18H2,1H3" ; chebi:inchikey "TZMWHPKPISYJCM-UHFFFAOYSA-N" ; chebi:mass "311.462" ; chebi:monoisotopicmass "311.22491" ; chebi:smiles "CC1(CCCC1)C(C#CCN2CCCCC2)(C3=CC=CC=C3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103912" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1-methylcyclopentyl)-1-phenyl-4-(1-piperidinyl)-2-butyn-1-ol" . obo:CHEBI_103913 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39447 ; chebi:charge "0" ; chebi:formula "C15H12ClN5" ; chebi:inchi "InChI=1S/C15H12ClN5/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)20-15(19-12)21-14(17)18/h1-8H,(H4,17,18,19,20,21)" ; chebi:inchikey "RGJFEUSQLIFRJG-UHFFFAOYSA-N" ; chebi:mass "297.743" ; chebi:monoisotopicmass "297.07812" ; chebi:smiles "C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N=C(N)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103913" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(6-chloro-4-phenyl-2-quinazolinyl)guanidine" . obo:CHEBI_103914 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "0" ; chebi:formula "C17H18FN3O2S" ; chebi:inchi "InChI=1S/C17H18FN3O2S/c1-20(2)9-5-10-21(16(22)13-7-4-11-23-13)17-19-15-12(18)6-3-8-14(15)24-17/h3-4,6-8,11H,5,9-10H2,1-2H3" ; chebi:inchikey "CJOWVGDYVAIVBQ-UHFFFAOYSA-N" ; chebi:mass "347.409" ; chebi:monoisotopicmass "347.11038" ; chebi:smiles "CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=CO3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103914" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-furancarboxamide" . obo:CHEBI_103915 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33833 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C17H18BrFN2O3" ; chebi:inchi "InChI=1S/C17H18BrFN2O3/c18-16-6-5-15(24-16)17(22)20-11-14(21-7-9-23-10-8-21)12-1-3-13(19)4-2-12/h1-6,14H,7-11H2,(H,20,22)" ; chebi:inchikey "TUKUCXHWROPNBD-UHFFFAOYSA-N" ; chebi:mass "397.239" ; chebi:monoisotopicmass "396.04848" ; chebi:smiles "C1COCCN1C(CNC(=O)C2=CC=C(O2)Br)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103915" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-bromo-N-[2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]-2-furancarboxamide" . obo:CHEBI_103916 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37942 ; chebi:charge "0" ; chebi:formula "C14H13Cl2N3O2S2" ; chebi:inchi "InChI=1S/C14H13Cl2N3O2S2/c1-19-3-2-6-8(5-19)22-14(10(6)12(17)20)18-13(21)7-4-9(15)23-11(7)16/h4H,2-3,5H2,1H3,(H2,17,20)(H,18,21)" ; chebi:inchikey "HBBCIGFGKJJWEX-UHFFFAOYSA-N" ; chebi:mass "390.310" ; chebi:monoisotopicmass "388.98262" ; chebi:smiles "CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(SC(=C3)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103916" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[(2,5-dichloro-3-thiophenyl)-oxomethyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide" . obo:CHEBI_103917 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C14H15N3O" ; chebi:inchi "InChI=1S/C14H15N3O/c1-3-11-16-12-9-7-5-6-8-10(9)18-13(12)14(17-11)15-4-2/h5-8H,3-4H2,1-2H3,(H,15,16,17)" ; chebi:inchikey "OSQRLYLQRYBSDQ-UHFFFAOYSA-N" ; chebi:mass "241.289" ; chebi:monoisotopicmass "241.12151" ; chebi:smiles "CCC1=NC2=C(C(=N1)NCC)OC3=CC=CC=C32" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103917" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N,2-diethyl-4-benzofuro[3,2-d]pyrimidinamine" . obo:CHEBI_103918 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36709 ; chebi:charge "0" ; chebi:formula "C19H18N2O2" ; chebi:inchi "InChI=1S/C19H18N2O2/c1-12-3-5-16-15(9-12)17(10-13(2)20-16)21-14-4-6-18-19(11-14)23-8-7-22-18/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)" ; chebi:inchikey "NOGWKIKUGIOGRI-UHFFFAOYSA-N" ; chebi:mass "306.359" ; chebi:monoisotopicmass "306.13683" ; chebi:smiles "CC1=CC2=C(C=C1)N=C(C=C2NC3=CC4=C(C=C3)OCCO4)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103918" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-dimethyl-4-quinolinamine" . obo:CHEBI_103919 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C17H21N3O2S" ; chebi:inchi "InChI=1S/C17H21N3O2S/c1-4-22-14-5-6-15-12(10-14)9-13-11-20(7-8-21-3)17(18-2)23-16(13)19-15/h5-6,9-10H,4,7-8,11H2,1-3H3" ; chebi:inchikey "QMFOXZXFXUJYET-UHFFFAOYSA-N" ; chebi:mass "331.434" ; chebi:monoisotopicmass "331.13545" ; chebi:smiles "CCOC1=CC2=CC3=C(N=C2C=C1)SC(=NC)N(C3)CCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103919" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "7-ethoxy-3-(2-methoxyethyl)-N-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine" . obo:CHEBI_10392 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17950 ; owl:deprecated true . obo:CHEBI_103920 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37942 ; chebi:charge "0" ; chebi:formula "C20H24N2O3S" ; chebi:inchi "InChI=1S/C20H24N2O3S/c1-3-17(23)21-19-18(20(24)25-4-2)15-10-11-22(13-16(15)26-19)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,21,23)" ; chebi:inchikey "KCBYZKLDQOWSAV-UHFFFAOYSA-N" ; chebi:mass "372.483" ; chebi:monoisotopicmass "372.15076" ; chebi:smiles "CCC(=O)NC1=C(C2=C(S1)CN(CC2)CC3=CC=CC=C3)C(=O)OCC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103920" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(1-oxopropylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester" . obo:CHEBI_103921 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H26N4O" ; chebi:inchi "InChI=1S/C27H26N4O/c32-27(29-21-13-16-31(17-14-21)19-20-8-2-1-3-9-20)23-18-26(25-12-6-7-15-28-25)30-24-11-5-4-10-22(23)24/h1-12,15,18,21H,13-14,16-17,19H2,(H,29,32)" ; chebi:inchikey "LSOIQFQNLHWNNY-UHFFFAOYSA-N" ; chebi:mass "422.523" ; chebi:monoisotopicmass "422.21066" ; chebi:smiles "C1CN(CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)CC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103921" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[1-(phenylmethyl)-4-piperidinyl]-2-(2-pyridinyl)-4-quinolinecarboxamide" . obo:CHEBI_103922 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26518 ; chebi:charge "0" ; chebi:formula "C13H17N3O2" ; chebi:inchi "InChI=1S/C13H17N3O2/c17-13-9-4-7-16(8-5-9)12(13)11(15-18-13)10-3-1-2-6-14-10/h1-3,6,9,11-12,15,17H,4-5,7-8H2" ; chebi:inchikey "KLTSQZBRJBGNKN-UHFFFAOYSA-N" ; chebi:mass "247.293" ; chebi:monoisotopicmass "247.13208" ; chebi:smiles "C1CN2CCC1C3(C2C(NO3)C4=CC=CC=N4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103922" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15275" . obo:CHEBI_103923 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; chebi:charge "0" ; chebi:formula "C9H10N2O2S" ; chebi:inchi "InChI=1S/C9H10N2O2S/c10-9-11-5(4-14-9)8-6(12)2-1-3-7(8)13/h4,8H,1-3H2,(H2,10,11)" ; chebi:inchikey "AOVFNFDBPZZQBX-UHFFFAOYSA-N" ; chebi:mass "210.254" ; chebi:monoisotopicmass "210.04630" ; chebi:smiles "C1CC(=O)C(C(=O)C1)C2=CSC(=N2)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103923" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(2-amino-4-thiazolyl)cyclohexane-1,3-dione" . obo:CHEBI_103924 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C25H25FN6O3" ; chebi:inchi "InChI=1S/C25H25FN6O3/c26-21-6-2-1-5-20(21)24(31-11-9-30(10-12-31)16-19-4-3-13-33-19)25-27-28-29-32(25)15-18-7-8-22-23(14-18)35-17-34-22/h1-8,13-14,24H,9-12,15-17H2" ; chebi:inchikey "RHPYTLPXMYNISV-UHFFFAOYSA-N" ; chebi:mass "476.504" ; chebi:monoisotopicmass "476.19722" ; chebi:smiles "C1CN(CCN1CC2=CC=CO2)C(C3=CC=CC=C3F)C4=NN=NN4CC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103924" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]-(2-fluorophenyl)methyl]-4-(2-furanylmethyl)piperazine" . obo:CHEBI_103925 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C23H29FN4O3" ; chebi:inchi "InChI=1S/C23H29FN4O3/c1-16-8-12-27(13-9-16)11-3-10-25-21-7-5-18(14-22(21)28(30)31)23(29)26-19-6-4-17(2)20(24)15-19/h4-7,14-16,25H,3,8-13H2,1-2H3,(H,26,29)" ; chebi:inchikey "DBJNKIOTKAPNHU-UHFFFAOYSA-N" ; chebi:mass "428.501" ; chebi:monoisotopicmass "428.22237" ; chebi:smiles "CC1CCN(CC1)CCCNC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)F)[N+](=O)[O-]" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103925" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(3-fluoro-4-methylphenyl)-4-[3-(4-methyl-1-piperidinyl)propylamino]-3-nitrobenzamide" . obo:CHEBI_103926 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C17H18BrNO" ; chebi:inchi "InChI=1S/C17H18BrNO/c18-16-6-3-7-17(12-16)20-11-10-19-9-8-14-4-1-2-5-15(14)13-19/h1-7,12H,8-11,13H2" ; chebi:inchikey "BGVQTTPXHRMOIF-UHFFFAOYSA-N" ; chebi:mass "332.235" ; chebi:monoisotopicmass "331.05718" ; chebi:smiles "C1CN(CC2=CC=CC=C21)CCOC3=CC(=CC=C3)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103926" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-1H-isoquinoline" . obo:CHEBI_103927 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24828 ; chebi:charge "0" ; chebi:formula "C12H14N2" ; chebi:inchi "InChI=1S/C12H14N2/c1-8-3-2-4-9-10-7-13-6-5-11(10)14-12(8)9/h2-4,13-14H,5-7H2,1H3" ; chebi:inchikey "SEIGTDMBJJWKGU-UHFFFAOYSA-N" ; chebi:mass "186.253" ; chebi:monoisotopicmass "186.11570" ; chebi:smiles "CC1=CC=CC2=C1NC3=C2CNCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103927" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole" . obo:CHEBI_103928 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33833 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C21H24ClN3O2S" ; chebi:inchi "InChI=1S/C21H24ClN3O2S/c1-3-24(4-2)12-6-13-25(20(26)19-7-5-14-27-19)21-23-18(15-28-21)16-8-10-17(22)11-9-16/h5,7-11,14-15H,3-4,6,12-13H2,1-2H3" ; chebi:inchikey "CTZRVLWWCNVIHZ-UHFFFAOYSA-N" ; chebi:mass "417.954" ; chebi:monoisotopicmass "417.12778" ; chebi:smiles "CCN(CC)CCCN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103928" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[4-(4-chlorophenyl)-2-thiazolyl]-N-[3-(diethylamino)propyl]-2-furancarboxamide" . obo:CHEBI_103929 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C22H32N2O2" ; chebi:inchi "InChI=1S/C22H32N2O2/c1-24(2)7-6-23-21(25)19-11-18(4-5-20(19)26-3)22-12-15-8-16(13-22)10-17(9-15)14-22/h4-5,11,15-17H,6-10,12-14H2,1-3H3,(H,23,25)" ; chebi:inchikey "ZNVLSXUUHIHQKB-UHFFFAOYSA-N" ; chebi:mass "356.503" ; chebi:monoisotopicmass "356.24638" ; chebi:smiles "CN(C)CCNC(=O)C1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103929" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide" . obo:CHEBI_10393 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26191 ; chebi:charge "0" ; chebi:formula "C42H74N8O22" ; chebi:inchi "InChI=1S/C42H74N8O22/c1-6-45-27-34(67-18(4)37(62)46-16(2)36(61)50-20(35(44)60)10-11-25(55)49-21(9-7-8-12-43)38(63)47-17(3)39(64)65)33(24(15-53)68-40(27)66)72-41-26(48-19(5)54)29(57)32(23(14-52)70-41)71-42-31(59)30(58)28(56)22(13-51)69-42/h16-18,20-24,26-34,40-42,45,51-53,56-59,66H,6-15,43H2,1-5H3,(H2,44,60)(H,46,62)(H,47,63)(H,48,54)(H,49,55)(H,50,61)(H,64,65)/t16-,17+,18?,20+,21-,22+,23+,24+,26+,27+,28-,29+,30-,31+,32+,33+,34+,40?,41-,42-/m0/s1" ; chebi:inchikey "UVSCRUWDVRYDQM-JZRPQBGFSA-N" ; chebi:mass "1043.079" ; chebi:monoisotopicmass "1042.49177" ; chebi:smiles "CCN[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(O)=O)C(N)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10393" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-D-Galactosyl-beta-1,4-N-acetyl-D-glucosaminylglycopeptide" . obo:CHEBI_103930 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_27024 ; rdfs:subClassOf obo:CHEBI_38530 ; rdfs:subClassOf obo:CHEBI_46786 ; rdfs:subClassOf obo:CHEBI_50996 ; obo:IAO_0000115 "A member of the class of quinazolines that is quinazoline which is substituted by a 4-methylphenyl group and a bis(2-methoxyethyl)nitrilo group at positions 2 and 4, respectively." ; chebi:charge "0" ; chebi:formula "C21H25N3O2" ; chebi:inchi "InChI=1S/C21H25N3O2/c1-16-8-10-17(11-9-16)20-22-19-7-5-4-6-18(19)21(23-20)24(12-14-25-2)13-15-26-3/h4-11H,12-15H2,1-3H3" ; chebi:inchikey "VDENOZWXPJFATJ-UHFFFAOYSA-N" ; chebi:mass "351.450" ; chebi:monoisotopicmass "351.19468" ; chebi:smiles "CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N(CCOC)CCOC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103930" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine" . obo:CHEBI_103931 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C36H39N3O6" ; chebi:inchi "InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1" ; chebi:inchikey "SVJMLYUFVDMUHP-XIFFEERXSA-N" ; chebi:mass "609.713" ; chebi:monoisotopicmass "609.28389" ; chebi:smiles "CC1=C([C@@H](C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103931" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-(4,4-diphenyl-1-piperidinyl)propyl] ester O3-methyl ester" . obo:CHEBI_103932 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C36H39N3O6" ; chebi:inchi "InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m1/s1" ; chebi:inchikey "SVJMLYUFVDMUHP-MGBGTMOVSA-N" ; chebi:mass "609.713" ; chebi:monoisotopicmass "609.28389" ; chebi:smiles "CC1=C([C@H](C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103932" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-(4,4-diphenyl-1-piperidinyl)propyl] ester O3-methyl ester" . obo:CHEBI_103933 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "+1" ; chebi:formula "C22H20NO2" ; chebi:inchi "InChI=1S/C22H20NO2/c1-25-21-11-9-18(10-12-21)7-8-19-13-15-23(16-14-19)22(24)17-20-5-3-2-4-6-20/h2-16H,17H2,1H3/q+1" ; chebi:inchikey "QHSXLFJZNQFYPQ-UHFFFAOYSA-N" ; chebi:mass "330.401" ; chebi:monoisotopicmass "330.14886" ; chebi:smiles "COC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103933" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-[2-(4-methoxyphenyl)ethenyl]-1-pyridin-1-iumyl]-2-phenylethanone" . obo:CHEBI_103934 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "0" ; chebi:formula "C15H23N3OS" ; chebi:inchi "InChI=1S/C15H23N3OS/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4/h7-8,11H,5-6,9-10H2,1-4H3" ; chebi:inchikey "WGMYEOIMVYADRJ-UHFFFAOYSA-N" ; chebi:mass "293.429" ; chebi:monoisotopicmass "293.15618" ; chebi:smiles "CCN(CC)CCOC1=CC2=C(C=C1)N=C(S2)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103934" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine" . obo:CHEBI_103935 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36054 ; chebi:charge "0" ; chebi:formula "C18H20N2O4" ; chebi:inchi "InChI=1S/C18H20N2O4/c1-23-16-10-6-3-7-13(16)11-12-19-18(22)20-15-9-5-4-8-14(15)17(21)24-2/h3-10H,11-12H2,1-2H3,(H2,19,20,22)" ; chebi:inchikey "BWRNPKGXNGYUDS-UHFFFAOYSA-N" ; chebi:mass "328.363" ; chebi:monoisotopicmass "328.14231" ; chebi:smiles "COC1=CC=CC=C1CCNC(=O)NC2=CC=CC=C2C(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103935" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[[2-(2-methoxyphenyl)ethylamino]-oxomethyl]amino]benzoic acid methyl ester" . obo:CHEBI_103936 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46848 ; chebi:charge "0" ; chebi:formula "C24H25N5O" ; chebi:inchi "InChI=1S/C24H25N5O/c1-2-7-19(8-3-1)18-28-12-14-29(15-13-28)24-26-22-11-5-4-10-21(22)23(27-24)25-17-20-9-6-16-30-20/h1-11,16H,12-15,17-18H2,(H,25,26,27)" ; chebi:inchikey "JRTQKLGEKVVPGF-UHFFFAOYSA-N" ; chebi:mass "399.489" ; chebi:monoisotopicmass "399.20591" ; chebi:smiles "C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103936" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2-furanylmethyl)-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinazolinamine" . obo:CHEBI_103937 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83352 ; chebi:charge "0" ; chebi:formula "C21H22N2O6S2" ; chebi:inchi "InChI=1S/C21H22N2O6S2/c1-13-4-5-14(2)19(10-13)31(26,27)29-16-7-6-15(11-17(16)28-3)12-18-20(24)23(9-8-22)21(25)30-18/h4-7,10-12H,8-9,22H2,1-3H3" ; chebi:inchikey "XTFLFSBYKYFWNZ-UHFFFAOYSA-N" ; chebi:mass "462.542" ; chebi:monoisotopicmass "462.09193" ; chebi:smiles "CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CCN)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103937" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,5-dimethylbenzenesulfonic acid [4-[[3-(2-aminoethyl)-2,4-dioxo-5-thiazolidinylidene]methyl]-2-methoxyphenyl] ester" . obo:CHEBI_103938 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38976 ; chebi:charge "0" ; chebi:formula "C18H29NO3" ; chebi:inchi "InChI=1S/C18H29NO3/c1-13(2)16-5-7-18(8-6-16)21-12-17(20)11-19-9-14(3)22-15(4)10-19/h5-8,13-15,17,20H,9-12H2,1-4H3" ; chebi:inchikey "QNIGLMISXJYUPM-UHFFFAOYSA-N" ; chebi:mass "307.428" ; chebi:monoisotopicmass "307.21474" ; chebi:smiles "CC1CN(CC(O1)C)CC(COC2=CC=C(C=C2)C(C)C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103938" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,6-dimethyl-4-morpholinyl)-3-(4-propan-2-ylphenoxy)-2-propanol" . obo:CHEBI_103939 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C16H15ClN2O" ; chebi:inchi "InChI=1S/C16H15ClN2O/c17-16-14-5-2-1-4-13(14)6-7-15(16)20-11-3-9-19-10-8-18-12-19/h1-2,4-8,10,12H,3,9,11H2" ; chebi:inchikey "GTIQSTLOVFXLMS-UHFFFAOYSA-N" ; chebi:mass "286.757" ; chebi:monoisotopicmass "286.08729" ; chebi:smiles "C1=CC=C2C(=C1)C=CC(=C2Cl)OCCCN3C=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103939" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[3-[(1-chloro-2-naphthalenyl)oxy]propyl]imidazole" . obo:CHEBI_10394 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28793 ; owl:deprecated true . obo:CHEBI_103940 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25996 ; chebi:charge "0" ; chebi:formula "C13H16ClN3O2" ; chebi:inchi "InChI=1S/C13H16ClN3O2/c1-10(18)13(17-5-7-19-8-6-17)16-15-12-4-2-3-11(14)9-12/h2-4,9,15H,5-8H2,1H3" ; chebi:inchikey "ROWXADOVDRCHNU-UHFFFAOYSA-N" ; chebi:mass "281.738" ; chebi:monoisotopicmass "281.09310" ; chebi:smiles "CC(=O)C(=NNC1=CC(=CC=C1)Cl)N2CCOCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103940" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3-chlorophenyl)hydrazinylidene]-1-(4-morpholinyl)-2-propanone" . obo:CHEBI_103941 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C12H12F3N3OS" ; chebi:inchi "InChI=1S/C12H12F3N3OS/c13-12(14,15)8-2-1-3-9(6-8)18-10(19)7-20-11-16-4-5-17-11/h1-3,6H,4-5,7H2,(H,16,17)(H,18,19)" ; chebi:inchikey "GSRUSEGVJQGBQN-UHFFFAOYSA-N" ; chebi:mass "303.305" ; chebi:monoisotopicmass "303.06532" ; chebi:smiles "C1CN=C(N1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103941" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4,5-dihydro-1H-imidazol-2-ylthio)-N-[3-(trifluoromethyl)phenyl]acetamide" . obo:CHEBI_103942 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_46685 ; chebi:charge "0" ; chebi:formula "C15H19N3O" ; chebi:inchi "InChI=1S/C15H19N3O/c1-12-7-9-18(10-8-12)11-14-16-15(17-19-14)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3" ; chebi:inchikey "YUAKFILGFPHOCL-UHFFFAOYSA-N" ; chebi:mass "257.331" ; chebi:monoisotopicmass "257.15281" ; chebi:smiles "CC1CCN(CC1)CC2=NC(=NO2)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103942" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-[(4-methyl-1-piperidinyl)methyl]-3-phenyl-1,2,4-oxadiazole" . obo:CHEBI_103943 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48513 ; chebi:charge "0" ; chebi:formula "C16H19ClN2" ; chebi:inchi "InChI=1S/C16H19ClN2/c1-2-18-8-9-19-14-7-6-11(17)10-13(14)12-4-3-5-15(18)16(12)19/h6-7,10,15H,2-5,8-9H2,1H3" ; chebi:inchikey "NHESABHACNFJOA-UHFFFAOYSA-N" ; chebi:mass "274.789" ; chebi:monoisotopicmass "274.12368" ; chebi:smiles "CCN1CCN2C3=C(C=C(C=C3)Cl)C4=C2C1CCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103943" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15296" . obo:CHEBI_103944 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C22H31N3O2" ; chebi:inchi "InChI=1S/C22H31N3O2/c1-22(2,3)19-8-4-5-9-20(19)27-17-18(26)16-24-12-14-25(15-13-24)21-10-6-7-11-23-21/h4-11,18,26H,12-17H2,1-3H3" ; chebi:inchikey "YENLLNJHGZJVBY-UHFFFAOYSA-N" ; chebi:mass "369.501" ; chebi:monoisotopicmass "369.24163" ; chebi:smiles "CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=N3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103944" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-tert-butylphenoxy)-3-[4-(2-pyridinyl)-1-piperazinyl]-2-propanol" . obo:CHEBI_103945 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "0" ; chebi:formula "C19H22BrN3OS2" ; chebi:inchi "InChI=1S/C19H22BrN3OS2/c1-12-6-7-14-17(13(12)2)21-19(26-14)23(11-5-10-22(3)4)18(24)15-8-9-16(20)25-15/h6-9H,5,10-11H2,1-4H3" ; chebi:inchikey "OQRUBFMHLUDBBU-UHFFFAOYSA-N" ; chebi:mass "452.434" ; chebi:monoisotopicmass "451.03877" ; chebi:smiles "CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(S3)Br)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103945" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-bromo-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide" . obo:CHEBI_103946 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48739 ; chebi:charge "0" ; chebi:formula "C23H26ClN3OS" ; chebi:inchi "InChI=1S/C23H26ClN3OS/c1-26(2)12-5-13-27(23-25-20-11-10-19(24)15-21(20)29-23)22(28)18-9-8-16-6-3-4-7-17(16)14-18/h8-11,14-15H,3-7,12-13H2,1-2H3" ; chebi:inchikey "QRLKDFRBQFZOLB-UHFFFAOYSA-N" ; chebi:mass "427.992" ; chebi:monoisotopicmass "427.14851" ; chebi:smiles "CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC4=C(CCCC4)C=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103946" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide" . obo:CHEBI_103947 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; chebi:charge "0" ; chebi:formula "C9H9N3S" ; chebi:inchi "InChI=1S/C9H9N3S/c10-12-9-11-8(6-13-9)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)" ; chebi:inchikey "VTOUNUQLXMNNMQ-UHFFFAOYSA-N" ; chebi:mass "191.254" ; chebi:monoisotopicmass "191.05172" ; chebi:smiles "C1=CC=C(C=C1)C2=CSC(=N2)NN" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103947" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4-phenyl-2-thiazolyl)hydrazine" . obo:CHEBI_103948 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25235 ; rdfs:subClassOf obo:CHEBI_38530 ; rdfs:subClassOf obo:CHEBI_48975 ; rdfs:subClassOf obo:CHEBI_50995 ; obo:IAO_0000115 "A member of the class of quinazolines that is quinazoline which is substituted by a (3-methoxyphenyl)nitrilo group at position 4." ; chebi:charge "0" ; chebi:formula "C15H13N3O" ; chebi:inchi "InChI=1S/C15H13N3O/c1-19-12-6-4-5-11(9-12)18-15-13-7-2-3-8-14(13)16-10-17-15/h2-10H,1H3,(H,16,17,18)" ; chebi:inchikey "LCYPRFCDTJTQPG-UHFFFAOYSA-N" ; chebi:mass "251.289" ; chebi:monoisotopicmass "251.10586" ; chebi:smiles "COC1=CC=CC(=C1)NC2=NC=NC3=CC=CC=C32" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103948" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N-(3-methoxyphenyl)quinazolin-4-amine" . obo:CHEBI_103949 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b291 rdf:type owl:Restriction . obo:CHEBI_103949 rdfs:subClassOf _:b291 . _:b291 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_103949 chebi:charge "0" ; chebi:formula "C18H28N2O3" ; chebi:inchi "InChI=1S/C18H28N2O3/c1-4-8-20(13-14-5-6-14)9-7-18(21)19-15-10-16(22-2)12-17(11-15)23-3/h10-12,14H,4-9,13H2,1-3H3,(H,19,21)" ; chebi:inchikey "LKCKBYJFXFKLGE-UHFFFAOYSA-N" ; chebi:mass "320.427" ; chebi:monoisotopicmass "320.20999" ; chebi:smiles "CCCN(CCC(=O)NC1=CC(=CC(=C1)OC)OC)CC2CC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103949" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[cyclopropylmethyl(propyl)amino]-N-(3,5-dimethoxyphenyl)propanamide" . obo:CHEBI_10395 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28860 ; owl:deprecated true . obo:CHEBI_103950 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C12H16BrN5OS" ; chebi:inchi "InChI=1S/C12H16BrN5OS/c1-18-12(15-16-17-18)20-6-5-14-8-9-7-10(13)3-4-11(9)19-2/h3-4,7,14H,5-6,8H2,1-2H3" ; chebi:inchikey "MWVFSBOSJAKLQG-UHFFFAOYSA-N" ; chebi:mass "358.258" ; chebi:monoisotopicmass "357.02589" ; chebi:smiles "CN1C(=NN=N1)SCCNCC2=C(C=CC(=C2)Br)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103950" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine" . obo:CHEBI_103951 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35683 ; chebi:charge "0" ; chebi:formula "C12H15N3OS" ; chebi:inchi "InChI=1S/C12H15N3OS/c1-15(2)8-9-17-12-14-13-11(16-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3" ; chebi:inchikey "YSGAMTVFIHHPJH-UHFFFAOYSA-N" ; chebi:mass "249.334" ; chebi:monoisotopicmass "249.09358" ; chebi:smiles "CN(C)CCSC1=NN=C(O1)C2=CC=CC=C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103951" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]ethanamine" . obo:CHEBI_103952 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "+1" ; chebi:formula "C27H24N3O2" ; chebi:inchi "InChI=1S/C27H23N3O2/c31-27(25-15-17-30(18-16-25)20-23-7-3-1-4-8-23)29-28-19-22-11-13-26(14-12-22)32-21-24-9-5-2-6-10-24/h1-19H,20-21H2/p+1" ; chebi:inchikey "AFDKQPMETSOVMT-UHFFFAOYSA-O" ; chebi:mass "422.499" ; chebi:monoisotopicmass "422.18630" ; chebi:smiles "C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)OCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103952" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4-phenylmethoxyphenyl)methylideneamino]-1-(phenylmethyl)-4-pyridin-1-iumcarboxamide" . obo:CHEBI_103953 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C18H15N3O" ; chebi:inchi "InChI=1S/C18H15N3O/c1-2-15-20-16-13-10-6-7-11-14(13)22-17(16)18(21-15)19-12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,19,20,21)" ; chebi:inchikey "VREFWGRWFUFDMN-UHFFFAOYSA-N" ; chebi:mass "289.332" ; chebi:monoisotopicmass "289.12151" ; chebi:smiles "CCC1=NC2=C(C(=N1)NC3=CC=CC=C3)OC4=CC=CC=C42" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103953" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-ethyl-N-phenyl-4-benzofuro[3,2-d]pyrimidinamine" . obo:CHEBI_103954 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H31FN6" ; chebi:inchi "InChI=1S/C21H31FN6/c1-2-20(27-14-12-26(13-15-27)19-6-4-3-5-7-19)21-23-24-25-28(21)16-17-8-10-18(22)11-9-17/h8-11,19-20H,2-7,12-16H2,1H3" ; chebi:inchikey "SYXLOOHCNOJAFE-UHFFFAOYSA-N" ; chebi:mass "386.510" ; chebi:monoisotopicmass "386.25942" ; chebi:smiles "CCC(C1=NN=NN1CC2=CC=C(C=C2)F)N3CCN(CC3)C4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103954" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]propyl]piperazine" . obo:CHEBI_103955 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38785 ; chebi:charge "0" ; chebi:formula "C14H19BrN2O3" ; chebi:inchi "InChI=1S/C14H19BrN2O3/c15-13-4-2-12(20-13)3-5-14(18)16-6-1-7-17-8-10-19-11-9-17/h2-5H,1,6-11H2,(H,16,18)" ; chebi:inchikey "XLUVCBOJTSJKTB-UHFFFAOYSA-N" ; chebi:mass "343.216" ; chebi:monoisotopicmass "342.05791" ; chebi:smiles "C1COCCN1CCCNC(=O)C=CC2=CC=C(O2)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103955" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(5-bromo-2-furanyl)-N-[3-(4-morpholinyl)propyl]-2-propenamide" . obo:CHEBI_103956 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26776 ; chebi:charge "0" ; chebi:formula "C21H27NO3" ; chebi:inchi "InChI=1S/C21H27NO3/c1-2-25-19-10-8-18(9-11-19)21(23)20(17-6-4-3-5-7-17)16-22-12-14-24-15-13-22/h3-11,20-21,23H,2,12-16H2,1H3" ; chebi:inchikey "RTHRSTWGVRVJQO-UHFFFAOYSA-N" ; chebi:mass "341.445" ; chebi:monoisotopicmass "341.19909" ; chebi:smiles "CCOC1=CC=C(C=C1)C(C(CN2CCOCC2)C3=CC=CC=C3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103956" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-ethoxyphenyl)-3-(4-morpholinyl)-2-phenyl-1-propanol" . obo:CHEBI_103957 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38830 ; chebi:charge "0" ; chebi:formula "C19H24N2O3" ; chebi:inchi "InChI=1S/C19H24N2O3/c1-19(2)10-14-6-5-8-17(18(14)24-19)23-13-16(22)12-20-11-15-7-3-4-9-21-15/h3-9,16,20,22H,10-13H2,1-2H3" ; chebi:inchikey "QEWSBKDMGYPSBU-UHFFFAOYSA-N" ; chebi:mass "328.406" ; chebi:monoisotopicmass "328.17869" ; chebi:smiles "CC1(CC2=C(O1)C(=CC=C2)OCC(CNCC3=CC=CC=N3)O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103957" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-3-(2-pyridinylmethylamino)-2-propanol" . obo:CHEBI_103958 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48912 ; chebi:charge "0" ; chebi:formula "C21H23FN8" ; chebi:inchi "InChI=1S/C21H23FN8/c22-17-6-7-20-19(14-17)23-26-30(20)18-9-11-28(12-10-18)15-21-24-25-27-29(21)13-8-16-4-2-1-3-5-16/h1-7,14,18H,8-13,15H2" ; chebi:inchikey "IFIMIYHYVWTQAX-UHFFFAOYSA-N" ; chebi:mass "406.460" ; chebi:monoisotopicmass "406.20297" ; chebi:smiles "C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)CC4=NN=NN4CCC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103958" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-fluoro-1-[1-[[1-(2-phenylethyl)-5-tetrazolyl]methyl]-4-piperidinyl]benzotriazole" . obo:CHEBI_103959 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C15H17Cl2N3" ; chebi:inchi "InChI=1S/C15H17Cl2N3/c16-4-6-19-7-9-20(10-8-19)15-3-5-18-14-11-12(17)1-2-13(14)15/h1-3,5,11H,4,6-10H2" ; chebi:inchikey "DKALJSKWAPJDDK-UHFFFAOYSA-N" ; chebi:mass "310.222" ; chebi:monoisotopicmass "309.07995" ; chebi:smiles "C1CN(CCN1CCCl)C2=C3C=CC(=CC3=NC=C2)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103959" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "7-chloro-4-[4-(2-chloroethyl)-1-piperazinyl]quinoline" . obo:CHEBI_10396 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28393 ; owl:deprecated true . obo:CHEBI_103960 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C26H34ClN3O5S" ; chebi:inchi "InChI=1S/C26H34ClN3O5S/c1-3-29(4-2)17-18-35-26(32)20-9-12-22(13-10-20)28-25(31)21-11-14-23(27)24(19-21)36(33,34)30-15-7-5-6-8-16-30/h9-14,19H,3-8,15-18H2,1-2H3,(H,28,31)" ; chebi:inchikey "IXBZKSGTYRHANP-UHFFFAOYSA-N" ; chebi:mass "536.085" ; chebi:monoisotopicmass "535.19077" ; chebi:smiles "CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103960" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid 2-(diethylamino)ethyl ester" . obo:CHEBI_103961 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C17H22N2O" ; chebi:inchi "InChI=1S/C17H22N2O/c20-13-12-18-10-11-19-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18-20H,10-14H2" ; chebi:inchikey "KQHVPQPDJJPAAU-UHFFFAOYSA-N" ; chebi:mass "270.370" ; chebi:monoisotopicmass "270.17321" ; chebi:smiles "C1=CC=C(C=C1)C2=CC=C(C=C2)CNCCNCCO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103961" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[2-[(4-phenylphenyl)methylamino]ethylamino]ethanol" . obo:CHEBI_103962 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_64096 ; chebi:charge "0" ; chebi:formula "C11H10N2O2S" ; chebi:inchi "InChI=1S/C11H10N2O2S/c12-11-13-8(6-16-11)7-1-2-9-10(5-7)15-4-3-14-9/h1-2,5-6H,3-4H2,(H2,12,13)" ; chebi:inchikey "QNDNSJKGUGRQDK-UHFFFAOYSA-N" ; chebi:mass "234.276" ; chebi:monoisotopicmass "234.04630" ; chebi:smiles "C1COC2=C(O1)C=CC(=C2)C3=CSC(=N3)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103962" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiazolamine" . obo:CHEBI_103963 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C20H21Cl2NO" ; chebi:inchi "InChI=1S/C20H21Cl2NO/c21-17-5-1-3-15(11-17)20(24,16-4-2-6-18(22)12-16)19-13-23-9-7-14(19)8-10-23/h1-6,11-12,14,19,24H,7-10,13H2" ; chebi:inchikey "LLAWTBLIBJUONA-UHFFFAOYSA-N" ; chebi:mass "362.293" ; chebi:monoisotopicmass "361.10002" ; chebi:smiles "C1CN2CCC1C(C2)C(C3=CC(=CC=C3)Cl)(C4=CC(=CC=C4)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103963" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-azabicyclo[2.2.2]octan-3-yl-bis(3-chlorophenyl)methanol" . obo:CHEBI_103964 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C11H10N2O" ; chebi:inchi "InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)" ; chebi:inchikey "YTJOHEUHUVBKSB-UHFFFAOYSA-N" ; chebi:mass "186.210" ; chebi:monoisotopicmass "186.07931" ; chebi:smiles "C1CN=C(N1)C2=CC3=CC=CC=C3O2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103964" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(2-benzofuranyl)-4,5-dihydro-1H-imidazole" . obo:CHEBI_103965 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C9H8N2O" ; chebi:inchi "InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)" ; chebi:inchikey "SVASVGVAQIVSEZ-UHFFFAOYSA-N" ; chebi:mass "160.173" ; chebi:monoisotopicmass "160.06366" ; chebi:smiles "C1=CC2=C(C=CNC2=O)C(=C1)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103965" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-amino-2H-isoquinolin-1-one" . obo:CHEBI_103966 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38444 ; chebi:charge "0" ; chebi:formula "C16H17NO3" ; chebi:inchi "InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1" ; chebi:inchikey "SUHGRZPINGKYNV-GJZGRUSLSA-N" ; chebi:mass "271.312" ; chebi:monoisotopicmass "271.12084" ; chebi:smiles "C1[C@H](O[C@H](C2=C1C(=C(C=C2)O)O)CN)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103966" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(1R,3S)-1-(aminomethyl)-3-phenyl-3,4-dihydro-1H-2-benzopyran-5,6-diol" . obo:CHEBI_103967 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C7H8ClN3" ; chebi:inchi "InChI=1S/C7H8ClN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)" ; chebi:inchikey "ZSJNJAJDBNFVCA-UHFFFAOYSA-N" ; chebi:mass "169.612" ; chebi:monoisotopicmass "169.04067" ; chebi:smiles "C1=CC(=CC=C1N=C(N)N)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103967" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-chlorophenyl)guanidine" . obo:CHEBI_103968 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_143212 ; rdfs:subClassOf obo:CHEBI_27171 ; rdfs:subClassOf obo:CHEBI_38101 ; rdfs:subClassOf obo:CHEBI_38106 ; chebi:charge "0" ; chebi:formula "C16H17N3S" ; chebi:inchi "InChI=1S/C16H17N3S/c1-3-13-9-14-15(18-11(2)19-16(14)20-13)17-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,17,18,19)" ; chebi:inchikey "XMEMQJRLEKJRSV-UHFFFAOYSA-N" ; chebi:mass "283.393" ; chebi:monoisotopicmass "283.11432" ; chebi:smiles "CCC1=CC2=C(N=C(N=C2S1)C)NCC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103968" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-ethyl-2-methyl-N-(phenylmethyl)-4-thieno[2,3-d]pyrimidinamine" . obo:CHEBI_103969 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26410 ; rdfs:subClassOf obo:CHEBI_36820 ; chebi:charge "0" ; chebi:formula "C19H19N5O" ; chebi:inchi "InChI=1S/C19H19N5O/c1-13-18(19(25)24(23(13)2)14-8-4-3-5-9-14)20-12-17-21-15-10-6-7-11-16(15)22-17/h3-11,20H,12H2,1-2H3,(H,21,22)" ; chebi:inchikey "UDDKKSYJXXGONM-UHFFFAOYSA-N" ; chebi:mass "333.388" ; chebi:monoisotopicmass "333.15896" ; chebi:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=NC4=CC=CC=C4N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103969" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(1H-benzimidazol-2-ylmethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone" . obo:CHEBI_10397 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15903 ; owl:deprecated true . obo:CHEBI_103970 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "0" ; chebi:formula "C24H31N3O3S2" ; chebi:inchi "InChI=1S/C24H31N3O3S2/c1-5-26(6-2)13-14-27(24-25-23-19(4)16-18(3)17-21(23)31-24)22(28)12-15-32(29,30)20-10-8-7-9-11-20/h7-11,16-17H,5-6,12-15H2,1-4H3" ; chebi:inchikey "TYWFUHXAJCCBFU-UHFFFAOYSA-N" ; chebi:mass "473.654" ; chebi:monoisotopicmass "473.18068" ; chebi:smiles "CCN(CC)CCN(C1=NC2=C(C=C(C=C2S1)C)C)C(=O)CCS(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103970" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide" . obo:CHEBI_103971 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H24ClN3O4S2" ; chebi:inchi "InChI=1S/C23H24ClN3O4S2/c24-17-7-9-18(10-8-17)33(29,30)26-20-5-2-1-4-19(20)23(28)25-16-21(22-6-3-15-32-22)27-11-13-31-14-12-27/h1-10,15,21,26H,11-14,16H2,(H,25,28)" ; chebi:inchikey "NPRHIOZJUCSTDW-UHFFFAOYSA-N" ; chebi:mass "506.040" ; chebi:monoisotopicmass "505.08968" ; chebi:smiles "C1COCCN1C(CNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103971" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(4-chlorophenyl)sulfonylamino]-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]benzamide" . obo:CHEBI_103972 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C17H15N3O2S" ; chebi:inchi "InChI=1S/C17H15N3O2S/c18-17-20(10-11-23-17)12-16(21)19-14-8-4-5-9-15(14)22-13-6-2-1-3-7-13/h1-11,18H,12H2,(H,19,21)" ; chebi:inchikey "XSWLGKVTOCFBBQ-UHFFFAOYSA-N" ; chebi:mass "325.387" ; chebi:monoisotopicmass "325.08850" ; chebi:smiles "C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CN3C=CSC3=N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103972" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(2-imino-3-thiazolyl)-N-(2-phenoxyphenyl)acetamide" . obo:CHEBI_103973 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H32N4O" ; chebi:inchi "InChI=1S/C26H32N4O/c1-18-7-8-23-21(15-18)22-16-30(10-9-24(22)27-23)26(31)17-28-11-13-29(14-12-28)25-6-4-5-19(2)20(25)3/h4-8,15,27H,9-14,16-17H2,1-3H3" ; chebi:inchikey "RBAQJKQTFAIPRX-UHFFFAOYSA-N" ; chebi:mass "416.559" ; chebi:monoisotopicmass "416.25761" ; chebi:smiles "CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CN4CCN(CC4)C5=CC=CC(=C5C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103973" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone" . obo:CHEBI_103974 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C17H25NO" ; chebi:inchi "InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2" ; chebi:inchikey "YSSBJODGIYRAMI-UHFFFAOYSA-N" ; chebi:mass "259.387" ; chebi:monoisotopicmass "259.19361" ; chebi:smiles "C1CCC(C(C1)N2CCC(CC2)C3=CC=CC=C3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103974" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-phenyl-1-piperidinyl)-1-cyclohexanol" . obo:CHEBI_103975 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C21H24ClNO" ; chebi:inchi "InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3" ; chebi:inchikey "OCAXFDULERPAJM-UHFFFAOYSA-N" ; chebi:mass "341.875" ; chebi:monoisotopicmass "341.15464" ; chebi:smiles "CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103975" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane" . obo:CHEBI_103976 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "+1" ; chebi:formula "C21H20NO6" ; chebi:inchi "InChI=1S/C21H20NO6/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3/q+1/t18?,19-/m1/s1" ; chebi:inchikey "WDIQXKYUSINZME-MUMRKEEXSA-N" ; chebi:mass "382.387" ; chebi:monoisotopicmass "382.12851" ; chebi:smiles "C[N+]1(CCC2=CC3=C(C=C2C1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103976" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15329" . obo:CHEBI_103977 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C16H16ClNO2S" ; chebi:inchi "InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3" ; chebi:inchikey "GKTWGGQPFAXNFI-UHFFFAOYSA-N" ; chebi:mass "321.823" ; chebi:monoisotopicmass "321.05903" ; chebi:smiles "COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103977" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester" . obo:CHEBI_103978 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38444 ; chebi:charge "0" ; chebi:formula "C19H20ClNO2" ; chebi:inchi "InChI=1S/C19H20ClNO2/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19/h3-10H,11-13H2,1-2H3" ; chebi:inchikey "HIVBATDUVFEJFZ-UHFFFAOYSA-N" ; chebi:mass "329.821" ; chebi:monoisotopicmass "329.11826" ; chebi:smiles "CN(C)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103978" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-1H-2-benzopyran-1-one" . obo:CHEBI_103979 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C9H11N3O4" ; chebi:inchi "InChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8?/m1/s1" ; chebi:inchikey "BBDAGFIXKZCXAH-STUHELBRSA-N" ; chebi:mass "225.202" ; chebi:monoisotopicmass "225.07496" ; chebi:smiles "C1=CN2C3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103979" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol" . obo:CHEBI_10398 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16218 ; owl:deprecated true . obo:CHEBI_103980 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C17H25NO3" ; chebi:inchi "InChI=1S/C17H25NO3/c1-12-14(10-11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3" ; chebi:inchikey "SXLHPJQSZRLJAE-UHFFFAOYSA-N" ; chebi:mass "291.386" ; chebi:monoisotopicmass "291.18344" ; chebi:smiles "CC1C(CCC(N1C)(C)C)OC(=O)C(C2=CC=CC=C2)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103980" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-hydroxy-2-phenylacetic acid (1,2,6,6-tetramethyl-3-piperidinyl) ester" . obo:CHEBI_103981 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C19H26Cl2N2O" ; chebi:inchi "InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3" ; chebi:inchikey "VQLPLYSROCPWFF-UHFFFAOYSA-N" ; chebi:mass "369.329" ; chebi:monoisotopicmass "368.14222" ; chebi:smiles "CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103981" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(3,4-dichlorophenyl)-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]acetamide" . obo:CHEBI_103982 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C18H24Cl2N2O" ; chebi:inchi "InChI=1S/C18H24Cl2N2O/c1-21(18(23)13-8-9-14(19)15(20)12-13)16-6-2-3-7-17(16)22-10-4-5-11-22/h8-9,12,16-17H,2-7,10-11H2,1H3" ; chebi:inchikey "JUBNVWGVNWIXMB-UHFFFAOYSA-N" ; chebi:mass "355.303" ; chebi:monoisotopicmass "354.12657" ; chebi:smiles "CN(C1CCCCC1N2CCCC2)C(=O)C3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103982" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzamide" . obo:CHEBI_103983 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25409 ; chebi:charge "0" ; chebi:formula "C10H17N" ; chebi:inchi "InChI=1S/C10H17N/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9H,1,4-5,11H2,2-3H3" ; chebi:inchikey "ZEKALTOSWFXTCN-UHFFFAOYSA-N" ; chebi:mass "151.249" ; chebi:monoisotopicmass "151.13610" ; chebi:smiles "CC1(C2CC1C(=C)C(C2)N)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103983" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6,6-dimethyl-4-methylene-3-bicyclo[3.1.1]heptanamine" . obo:CHEBI_103984 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C20H20N2O" ; chebi:inchi "InChI=1S/C20H20N2O/c1-15-14-20(21-19-5-3-2-4-18(15)19)16-6-8-17(9-7-16)22-10-12-23-13-11-22/h2-9,14H,10-13H2,1H3" ; chebi:inchikey "XGSZPPXEIDZEMS-UHFFFAOYSA-N" ; chebi:mass "304.386" ; chebi:monoisotopicmass "304.15756" ; chebi:smiles "CC1=CC(=NC2=CC=CC=C12)C3=CC=C(C=C3)N4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103984" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[4-(4-methyl-2-quinolinyl)phenyl]morpholine" . obo:CHEBI_103985 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22278 ; chebi:charge "0" ; chebi:formula "C9H13N5O3" ; chebi:inchi "InChI=1S/C9H13N5O3/c1-4(10)7(15)14-11-3-6-5(2)12-9(17)13-8(6)16/h3-4,11H,10H2,1-2H3,(H,14,15)(H,13,16,17)/t4-/m0/s1" ; chebi:inchikey "KYEHEASYLXXMLP-BYPYZUCNSA-N" ; chebi:mass "239.232" ; chebi:monoisotopicmass "239.10184" ; chebi:smiles "CC1=NC(=O)NC(=O)C1=CNNC(=O)[C@H](C)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103985" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-amino-N'-[(4-methyl-2,6-dioxo-5-pyrimidinylidene)methyl]propanehydrazide" . obo:CHEBI_103986 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C18H18BrN3O3" ; chebi:inchi "InChI=1S/C18H18BrN3O3/c1-3-25-18(24)17-12-8-16(23)13(19)9-14(12)22(2)15(17)10-21-11-4-6-20-7-5-11/h4-9,23H,3,10H2,1-2H3,(H,20,21)" ; chebi:inchikey "KWEKHEFJSXTKGY-UHFFFAOYSA-N" ; chebi:mass "404.258" ; chebi:monoisotopicmass "403.05315" ; chebi:smiles "CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CNC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103986" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-bromo-5-hydroxy-1-methyl-2-[(pyridin-4-ylamino)methyl]-3-indolecarboxylic acid ethyl ester" . obo:CHEBI_103987 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35748 ; chebi:charge "0" ; chebi:formula "C13H19NO2" ; chebi:inchi "InChI=1S/C13H19NO2/c1-14(2)10-11-16-13(15)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3" ; chebi:inchikey "LXELBKKGSDJSKX-UHFFFAOYSA-N" ; chebi:mass "221.296" ; chebi:monoisotopicmass "221.14158" ; chebi:smiles "CN(C)CCOC(=O)CCC1=CC=CC=C1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103987" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-phenylpropanoic acid 2-(dimethylamino)ethyl ester" . obo:CHEBI_103988 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35727 ; chebi:charge "0" ; chebi:formula "C9H12N6S" ; chebi:inchi "InChI=1S/C9H12N6S/c1-2-8-12-14-9(15(8)10)13-11-6-7-4-3-5-16-7/h3-6H,2,10H2,1H3,(H,13,14)" ; chebi:inchikey "ZPURJGAZDHFZJW-UHFFFAOYSA-N" ; chebi:mass "236.298" ; chebi:monoisotopicmass "236.08442" ; chebi:smiles "CCC1=NN=C(N1N)NN=CC2=CC=CS2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103988" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-ethyl-N3-(thiophen-2-ylmethylideneamino)-1,2,4-triazole-3,4-diamine" . obo:CHEBI_103989 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22950 ; obo:IAO_0000115 "A butan-4-olide having a methylene group at the 3-position and two methyl substituents at the 5-position." ; chebi:charge "0" ; chebi:formula "C7H10O2" ; chebi:inchi "InChI=1S/C7H10O2/c1-5-4-7(2,3)9-6(5)8/h1,4H2,2-3H3" ; chebi:inchikey "YYSDNLZCJQMZCZ-UHFFFAOYSA-N" ; chebi:mass "126.15310" ; chebi:monoisotopicmass "126.06808" ; chebi:smiles "CC1(C)CC(=C)C(=O)O1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103989" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "5,5-dimethyl-3-methylenedihydrofuran-2-one" . obo:CHEBI_10399 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17719 ; owl:deprecated true . obo:CHEBI_103990 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_17962 . _:b292 rdf:type owl:Restriction . obo:CHEBI_103990 rdfs:subClassOf _:b292 . _:b292 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . obo:CHEBI_103990 obo:IAO_0000115 "A CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as tetradec-7-enoyl." ; chebi:charge "0" ; chebi:formula "C40H69N3O15P2" ; chebi:inchi "InChI=1S/C40H69N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-35(44)53-29-32(56-36(45)26-24-22-20-18-16-14-12-10-8-6-4-2)30-54-59(49,50)58-60(51,52)55-31-33-37(46)38(47)39(57-33)43-28-27-34(41)42-40(43)48/h13-16,27-28,32-33,37-39,46-47H,3-12,17-26,29-31H2,1-2H3,(H,49,50)(H,51,52)(H2,41,42,48)/t32-,33-,37-,38-,39-/m1/s1" ; chebi:inchikey "VDJIEKQUDMPHPA-WNAWUNHNSA-N" ; chebi:mass "893.936" ; chebi:monoisotopicmass "893.42039" ; chebi:smiles "O(C[C@@H](COC(CCCCCC=CCCCCCC)=O)OC(CCCCCC=CCCCCCC)=O)P(OP(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(N=C(C=C2)N)=O)(=O)O)(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103990" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "1,2-ditetradec-7-enoyl-sn-glycero-3-cytidine 5'-diphosphate" . obo:CHEBI_103991 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C18H27N5" ; chebi:inchi "InChI=1S/C18H27N5/c1-14-10-12-22(13-11-14)16(15-8-6-5-7-9-15)17-19-20-21-23(17)18(2,3)4/h5-9,14,16H,10-13H2,1-4H3" ; chebi:inchikey "NZNYJLMJUZNUEJ-UHFFFAOYSA-N" ; chebi:mass "313.441" ; chebi:monoisotopicmass "313.22665" ; chebi:smiles "CC1CCN(CC1)C(C2=CC=CC=C2)C3=NN=NN3C(C)(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103991" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1-tert-butyl-5-tetrazolyl)-phenylmethyl]-4-methylpiperidine" . obo:CHEBI_103992 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "0" ; chebi:formula "C19H25N3O3S" ; chebi:inchi "InChI=1S/C19H25N3O3S/c1-21(2)8-9-22(18(23)13-6-4-3-5-7-13)19-20-14-10-15-16(25-12-24-15)11-17(14)26-19/h10-11,13H,3-9,12H2,1-2H3" ; chebi:inchikey "YSQYZUUQAGHGFJ-UHFFFAOYSA-N" ; chebi:mass "375.487" ; chebi:monoisotopicmass "375.16166" ; chebi:smiles "CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103992" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-(dimethylamino)ethyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide" . obo:CHEBI_103993 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C18H27ClN6" ; chebi:inchi "InChI=1S/C18H27ClN6/c1-5-18(2,3)25-17(20-21-22-25)16(14-6-8-15(19)9-7-14)24-12-10-23(4)11-13-24/h6-9,16H,5,10-13H2,1-4H3" ; chebi:inchikey "GVHBAMOZUBPHBK-UHFFFAOYSA-N" ; chebi:mass "362.901" ; chebi:monoisotopicmass "362.19857" ; chebi:smiles "CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)Cl)N3CCN(CC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103993" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-4-methylpiperazine" . obo:CHEBI_103994 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46848 ; chebi:charge "0" ; chebi:formula "C17H17N5O2" ; chebi:inchi "InChI=1S/C17H17N5O2/c18-15-12-4-1-2-5-13(12)19-17(20-15)22-9-7-21(8-10-22)16(23)14-6-3-11-24-14/h1-6,11H,7-10H2,(H2,18,19,20)" ; chebi:inchikey "DECAUZVEBBDOOT-UHFFFAOYSA-N" ; chebi:mass "323.350" ; chebi:monoisotopicmass "323.13822" ; chebi:smiles "C1CN(CCN1C2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=CC=CO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103994" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[4-(4-amino-2-quinazolinyl)-1-piperazinyl]-(2-furanyl)methanone" . obo:CHEBI_103995 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25996 ; chebi:charge "0" ; chebi:formula "C14H19N3O2" ; chebi:inchi "InChI=1S/C14H19N3O2/c1-11-5-3-4-6-13(11)15-16-14(12(2)18)17-7-9-19-10-8-17/h3-6,15H,7-10H2,1-2H3" ; chebi:inchikey "LYJVIKGETNIJGO-UHFFFAOYSA-N" ; chebi:mass "261.320" ; chebi:monoisotopicmass "261.14773" ; chebi:smiles "CC1=CC=CC=C1NN=C(C(=O)C)N2CCOCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103995" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2-methylphenyl)hydrazinylidene]-1-(4-morpholinyl)-2-propanone" . obo:CHEBI_103996 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H30N4O5S2" ; chebi:inchi "InChI=1S/C28H30N4O5S2/c1-30(2)14-7-15-32(28-29-23-16-24-25(37-19-36-24)17-26(23)38-28)27(33)21-10-12-22(13-11-21)39(34,35)31(3)18-20-8-5-4-6-9-20/h4-6,8-13,16-17H,7,14-15,18-19H2,1-3H3" ; chebi:inchikey "VKMRRUWBTJCRHK-UHFFFAOYSA-N" ; chebi:mass "566.695" ; chebi:monoisotopicmass "566.16576" ; chebi:smiles "CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)CC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103996" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-[methyl-(phenylmethyl)sulfamoyl]benzamide" . obo:CHEBI_103997 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C20H25N3O" ; chebi:inchi "InChI=1S/C20H25N3O/c1-15-4-5-17(14-16(15)2)20(24)21-18-6-8-19(9-7-18)23-12-10-22(3)11-13-23/h4-9,14H,10-13H2,1-3H3,(H,21,24)" ; chebi:inchikey "IDYDMROROFLLRI-UHFFFAOYSA-N" ; chebi:mass "323.433" ; chebi:monoisotopicmass "323.19976" ; chebi:smiles "CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103997" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,4-dimethyl-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide" . obo:CHEBI_103998 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C18H23NO2" ; chebi:inchi "InChI=1S/C18H23NO2/c1-2-16-18(14-8-4-5-9-17(14)21-16)15(20)10-13-19-11-6-3-7-12-19/h4-5,8-9H,2-3,6-7,10-13H2,1H3" ; chebi:inchikey "RWTINHUYFIZICV-UHFFFAOYSA-N" ; chebi:mass "285.381" ; chebi:monoisotopicmass "285.17288" ; chebi:smiles "CCC1=C(C2=CC=CC=C2O1)C(=O)CCN3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103998" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-ethyl-3-benzofuranyl)-3-(1-piperidinyl)-1-propanone" . obo:CHEBI_103999 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C18H21N3O" ; chebi:inchi "InChI=1S/C18H21N3O/c1-3-15-19-16-13-8-4-5-9-14(13)22-17(16)18(20-15)21-10-6-7-12(2)11-21/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3" ; chebi:inchikey "KKDYLHGEMMJKFV-UHFFFAOYSA-N" ; chebi:mass "295.380" ; chebi:monoisotopicmass "295.16846" ; chebi:smiles "CCC1=NC2=C(C(=N1)N3CCCC(C3)C)OC4=CC=CC=C42" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103999" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-ethyl-4-(3-methyl-1-piperidinyl)benzofuro[3,2-d]pyrimidine" . obo:CHEBI_104 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25186 ; chebi:charge "0" ; chebi:formula "C12H22O2" ; chebi:inchi "InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1" ; chebi:inchikey "XHXUANMFYXWVNG-ADEWGFFLSA-N" ; chebi:mass "198.302" ; chebi:monoisotopicmass "198.16198" ; chebi:smiles "CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(C)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(-)-Menthyl acetate" . obo:CHEBI_1040 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38168 ; rdfs:subClassOf obo:CHEBI_38173 ; obo:IAO_0000115 "A dihydroxy-1,3,5-triazine that is 1,3,5-triazine-2,4-diol substituted by a chloro group at position 6." ; chebi:charge "0" ; chebi:formula "C3H2ClN3O2" ; chebi:inchi "InChI=1S/C3H2ClN3O2/c4-1-5-2(8)7-3(9)6-1/h(H2,5,6,7,8,9)" ; chebi:inchikey "YDHNHFNGJCKAIZ-UHFFFAOYSA-N" ; chebi:mass "147.51970" ; chebi:monoisotopicmass "146.98355" ; chebi:smiles "Oc1nc(O)nc(Cl)n1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:1040" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "6-chloro-1,3,5-triazine-2,4-diol" . obo:CHEBI_10400 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_22798 ; owl:deprecated true . obo:CHEBI_104000 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H36N6O3" ; chebi:inchi "InChI=1S/C26H36N6O3/c1-7-26(2,3)32-25(27-28-29-32)24(19-8-13-22(34-5)23(18-19)35-6)31-16-14-30(15-17-31)20-9-11-21(33-4)12-10-20/h8-13,18,24H,7,14-17H2,1-6H3" ; chebi:inchikey "RXFIUWUHIJWINV-UHFFFAOYSA-N" ; chebi:mass "480.603" ; chebi:monoisotopicmass "480.28489" ; chebi:smiles "CCC(C)(C)N1C(=NN=N1)C(C2=CC(=C(C=C2)OC)OC)N3CCN(CC3)C4=CC=C(C=C4)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104000" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3,4-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-4-(4-methoxyphenyl)piperazine" . obo:CHEBI_104001 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35683 ; chebi:charge "0" ; chebi:formula "C15H14Cl2FNS" ; chebi:inchi "InChI=1S/C15H14Cl2FNS/c1-19(2)9-10-3-5-12(18)8-14(10)20-15-7-11(16)4-6-13(15)17/h3-8H,9H2,1-2H3" ; chebi:inchikey "UNAWHUIPJQHFOG-UHFFFAOYSA-N" ; chebi:mass "330.249" ; chebi:monoisotopicmass "329.02080" ; chebi:smiles "CN(C)CC1=C(C=C(C=C1)F)SC2=C(C=CC(=C2)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104001" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(2,5-dichlorophenyl)thio]-4-fluorophenyl]-N,N-dimethylmethanamine" . obo:CHEBI_104002 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C20H36N6" ; chebi:inchi "InChI=1S/C20H36N6/c1-2-8-19(20-21-22-23-26(20)18-11-4-3-5-12-18)25-15-13-24(14-16-25)17-9-6-7-10-17/h17-19H,2-16H2,1H3" ; chebi:inchikey "NOMZDXQKBZKFOS-UHFFFAOYSA-N" ; chebi:mass "360.541" ; chebi:monoisotopicmass "360.30015" ; chebi:smiles "CCCC(C1=NN=NN1C2CCCCC2)N3CCN(CC3)C4CCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104002" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[1-(1-cyclohexyl-5-tetrazolyl)butyl]-4-cyclopentylpiperazine" . obo:CHEBI_104003 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H32N4O3S2" ; chebi:inchi "InChI=1S/C29H32N4O3S2/c1-21-9-14-26-27(19-21)37-29(30-26)33(17-6-16-31(2)3)28(34)23-10-12-25(13-11-23)38(35,36)32-18-15-22-7-4-5-8-24(22)20-32/h4-5,7-14,19H,6,15-18,20H2,1-3H3" ; chebi:inchikey "AVOROEGEYAGDGQ-UHFFFAOYSA-N" ; chebi:mass "548.723" ; chebi:monoisotopicmass "548.19158" ; chebi:smiles "CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104003" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide" . obo:CHEBI_104004 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38093 ; chebi:charge "+1" ; chebi:formula "C27H24N3OS" ; chebi:inchi "InChI=1S/C27H24N3OS/c1-19-12-14-20(15-13-19)23-17-28(26-11-6-16-29(23)26)18-27(31)30-21-7-2-4-9-24(21)32-25-10-5-3-8-22(25)30/h2-5,7-10,12-15,17H,6,11,16,18H2,1H3/q+1" ; chebi:inchikey "RPGOXHQIGQMAPM-UHFFFAOYSA-N" ; chebi:mass "438.566" ; chebi:monoisotopicmass "438.16346" ; chebi:smiles "CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104004" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-1-(10-phenothiazinyl)ethanone" . obo:CHEBI_104005 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26410 ; rdfs:subClassOf obo:CHEBI_36820 ; chebi:charge "0" ; chebi:formula "C24H23N3" ; chebi:inchi "InChI=1S/C24H23N3/c1-19-12-14-21(15-13-19)24-22(17-25-16-20-8-4-2-5-9-20)18-27(26-24)23-10-6-3-7-11-23/h2-15,18,25H,16-17H2,1H3" ; chebi:inchikey "YGWSMQFKFPYRRP-UHFFFAOYSA-N" ; chebi:mass "353.460" ; chebi:monoisotopicmass "353.18920" ; chebi:smiles "CC1=CC=C(C=C1)C2=NN(C=C2CNCC3=CC=CC=C3)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104005" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanamine" . obo:CHEBI_104006 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 . _:b293 rdf:type owl:Restriction . obo:CHEBI_104006 rdfs:subClassOf _:b293 . _:b293 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17154 . obo:CHEBI_104006 chebi:charge "0" ; chebi:formula "C15H16N4O4" ; chebi:inchi "InChI=1S/C15H16N4O4/c1-9(19-15(23)11-3-13(21)8-17-6-11)4-18-14(22)10-2-12(20)7-16-5-10/h2-3,5-9,20-21H,4H2,1H3,(H,18,22)(H,19,23)" ; chebi:inchikey "LMMZHPWDSHTAMF-UHFFFAOYSA-N" ; chebi:mass "316.313" ; chebi:monoisotopicmass "316.11716" ; chebi:smiles "CC(CNC(=O)C1=CC(=CN=C1)O)NC(=O)C2=CC(=CN=C2)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104006" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-hydroxy-N-[2-[[(5-hydroxy-3-pyridinyl)-oxomethyl]amino]propyl]-3-pyridinecarboxamide" . obo:CHEBI_104007 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C20H23N3O2" ; chebi:inchi "InChI=1S/C20H23N3O2/c1-3-23(4-2)12-11-21-20(24)16-14-18(19-10-7-13-25-19)22-17-9-6-5-8-15(16)17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,24)" ; chebi:inchikey "RZITUCUOASIYJR-UHFFFAOYSA-N" ; chebi:mass "337.416" ; chebi:monoisotopicmass "337.17903" ; chebi:smiles "CCN(CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104007" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-(diethylamino)ethyl]-2-(2-furanyl)-4-quinolinecarboxamide" . obo:CHEBI_104008 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C29H27N3O2" ; chebi:inchi "InChI=1S/C29H27N3O2/c33-28-25-15-7-8-16-26(25)29(34)32(28)18-10-9-17-30-19-21-31(22-20-30)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-8,11-16,27H,17-22H2" ; chebi:inchikey "ZKPJKSHEVMZRLW-UHFFFAOYSA-N" ; chebi:mass "449.545" ; chebi:monoisotopicmass "449.21033" ; chebi:smiles "C1CN(CCN1CC#CCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104008" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[4-[4-(diphenylmethyl)-1-piperazinyl]but-2-ynyl]isoindole-1,3-dione" . obo:CHEBI_104009 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26410 ; rdfs:subClassOf obo:CHEBI_36820 ; chebi:charge "0" ; chebi:formula "C17H15BrN4S" ; chebi:inchi "InChI=1S/C17H15BrN4S/c18-14-8-6-12(7-9-14)16-13(11-23-17(19)20)10-22(21-16)15-4-2-1-3-5-15/h1-10H,11H2,(H3,19,20)" ; chebi:inchikey "HWMASQCYVGFFIE-UHFFFAOYSA-N" ; chebi:mass "387.298" ; chebi:monoisotopicmass "386.02008" ; chebi:smiles "C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CSC(=N)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104009" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "carbamimidothioic acid [3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methyl ester" . obo:CHEBI_10401 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15696 ; owl:deprecated true . obo:CHEBI_104010 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22715 ; chebi:charge "0" ; chebi:formula "C23H32N4O2" ; chebi:inchi "InChI=1S/C23H32N4O2/c1-4-25(5-2)13-14-26-21-11-6-7-12-22(21)27(23(26)24)16-19(28)17-29-20-10-8-9-18(3)15-20/h6-12,15,19,24,28H,4-5,13-14,16-17H2,1-3H3" ; chebi:inchikey "IJGSXXQMYBXCHB-UHFFFAOYSA-N" ; chebi:mass "396.527" ; chebi:monoisotopicmass "396.25253" ; chebi:smiles "CCN(CC)CCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC(=C3)C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104010" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[3-[2-(diethylamino)ethyl]-2-imino-1-benzimidazolyl]-3-(3-methylphenoxy)-2-propanol" . obo:CHEBI_104011 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_16180 . _:b294 rdf:type owl:Restriction . obo:CHEBI_104011 rdfs:subClassOf _:b294 . _:b294 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_83056 . _:b295 rdf:type owl:Restriction . obo:CHEBI_104011 rdfs:subClassOf _:b295 . _:b295 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_64703 . obo:CHEBI_104011 obo:IAO_0000115 "An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow." ; chebi:charge "0" ; chebi:formula "C9H10N2O3" ; chebi:inchi "InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)" ; chebi:inchikey "HSMNQINEKMPTIC-UHFFFAOYSA-N" ; chebi:mass "194.18730" ; chebi:monoisotopicmass "194.06914" ; chebi:smiles "Nc1ccc(cc1)C(=O)NCC(O)=O" ; oboInOwl:hasAlternativeId "CHEBI:59134" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104011" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "p-aminohippuric acid" . obo:CHEBI_104012 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_17962 . _:b296 rdf:type owl:Restriction . obo:CHEBI_104012 rdfs:subClassOf _:b296 . _:b296 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . obo:CHEBI_104012 obo:IAO_0000115 "A CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as hexadec-9-enoyl." ; chebi:charge "0" ; chebi:formula "C44H77N3O15P2" ; chebi:inchi "InChI=1S/C44H77N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h13-16,31-32,36-37,41-43,50-51H,3-12,17-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41-,42-,43-/m1/s1" ; chebi:inchikey "LBKBJHVQQNUXGQ-BQUKFSKHSA-N" ; chebi:mass "950.043" ; chebi:monoisotopicmass "949.48299" ; chebi:smiles "O(C[C@@H](COC(CCCCCCCC=CCCCCCC)=O)OC(CCCCCCCC=CCCCCCC)=O)P(OP(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(N=C(C=C2)N)=O)(=O)O)(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104012" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate" . obo:CHEBI_104013 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C21H25N5O3" ; chebi:inchi "InChI=1S/C21H25N5O3/c1-28-12-11-26-21(22-23-24-26)20(16-7-8-18(27)19(13-16)29-2)25-10-9-15-5-3-4-6-17(15)14-25/h3-8,13,20,27H,9-12,14H2,1-2H3" ; chebi:inchikey "WZLUAEIXQLABNE-UHFFFAOYSA-N" ; chebi:mass "395.456" ; chebi:monoisotopicmass "395.19574" ; chebi:smiles "COCCN1C(=NN=N1)C(C2=CC(=C(C=C2)O)OC)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104013" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)-5-tetrazolyl]methyl]-2-methoxyphenol" . obo:CHEBI_104014 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36709 ; chebi:charge "0" ; chebi:formula "C18H15ClN2O2" ; chebi:inchi "InChI=1S/C18H15ClN2O2/c1-11-8-16(14-9-12(19)2-4-15(14)20-11)21-13-3-5-17-18(10-13)23-7-6-22-17/h2-5,8-10H,6-7H2,1H3,(H,20,21)" ; chebi:inchikey "GMBAOUBLIFVPAH-UHFFFAOYSA-N" ; chebi:mass "326.778" ; chebi:monoisotopicmass "326.08221" ; chebi:smiles "CC1=NC2=C(C=C(C=C2)Cl)C(=C1)NC3=CC4=C(C=C3)OCCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104014" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-quinolinamine" . obo:CHEBI_104015 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C20H27N3O5" ; chebi:inchi "InChI=1S/C20H27N3O5/c1-27-15-11-13-14(12-16(15)28-2)22-20(26)17(18(13)24)19(25)21-7-6-10-23-8-4-3-5-9-23/h11-12H,3-10H2,1-2H3,(H,21,25)(H2,22,24,26)" ; chebi:inchikey "JDPVYDLXGCBZID-UHFFFAOYSA-N" ; chebi:mass "389.446" ; chebi:monoisotopicmass "389.19507" ; chebi:smiles "COC1=C(C=C2C(=C1)C(=C(C(=O)N2)C(=O)NCCCN3CCCCC3)O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104015" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-hydroxy-6,7-dimethoxy-2-oxo-N-[3-(1-piperidinyl)propyl]-1H-quinoline-3-carboxamide" . obo:CHEBI_104016 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C19H17NO2" ; chebi:inchi "InChI=1S/C19H17NO2/c1-3-22-19(21)17-13(2)20-16-12-8-7-11-15(16)18(17)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3" ; chebi:inchikey "NKTJXKSVVDCPJP-UHFFFAOYSA-N" ; chebi:mass "291.344" ; chebi:monoisotopicmass "291.12593" ; chebi:smiles "CCOC(=O)C1=C(C2=CC=CC=C2N=C1C)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104016" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methyl-4-phenyl-3-quinolinecarboxylic acid ethyl ester" . obo:CHEBI_104017 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C16H22N4O" ; chebi:inchi "InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3" ; chebi:inchikey "GULNIHOSWFYMRN-UHFFFAOYSA-N" ; chebi:mass "286.373" ; chebi:monoisotopicmass "286.17936" ; chebi:smiles "CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104017" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(2-pyrimidinyl)ethane-1,2-diamine" . obo:CHEBI_104018 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C18H34N2O6S" ; chebi:inchi "InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14+,15-,16-,18-/m1/s1" ; chebi:inchikey "OJMMVQQUTAEWLP-HZUSHKNOSA-N" ; chebi:mass "406.539" ; chebi:monoisotopicmass "406.21376" ; chebi:smiles "CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104018" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide" . obo:CHEBI_104019 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C8H10FNO2S" ; chebi:inchi "InChI=1S/C8H10FNO2S/c9-13(11,12)8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2" ; chebi:inchikey "TZJAEGCLMLTGRJ-UHFFFAOYSA-N" ; chebi:mass "203.235" ; chebi:monoisotopicmass "203.04163" ; chebi:smiles "C1=CC=C(C(=C1)CCN)S(=O)(=O)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104019" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(2-aminoethyl)benzenesulfonyl fluoride" . obo:CHEBI_10402 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28690 ; owl:deprecated true . obo:CHEBI_104020 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C11H16N2O" ; chebi:inchi "InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3" ; chebi:inchikey "VNZLQLYBRIOLFZ-UHFFFAOYSA-N" ; chebi:mass "192.258" ; chebi:monoisotopicmass "192.12626" ; chebi:smiles "COC1=CC=CC=C1N2CCNCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104020" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-methoxyphenyl)piperazine" . obo:CHEBI_104021 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "0" ; chebi:formula "C11H15Cl2NO2" ; chebi:inchi "InChI=1S/C11H15Cl2NO2/c12-9-3-1-4-10(11(9)13)16-8-2-5-14-6-7-15/h1,3-4,14-15H,2,5-8H2" ; chebi:inchikey "QVEIRCZEBQRCTR-UHFFFAOYSA-N" ; chebi:mass "264.149" ; chebi:monoisotopicmass "263.04798" ; chebi:smiles "C1=CC(=C(C(=C1)Cl)Cl)OCCCNCCO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104021" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[3-(2,3-dichlorophenoxy)propylamino]ethanol" . obo:CHEBI_104022 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "0" ; chebi:formula "C8H9NO" ; chebi:inchi "InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2" ; chebi:inchikey "HEQOJEGTZCTHCF-UHFFFAOYSA-N" ; chebi:mass "135.163" ; chebi:monoisotopicmass "135.06841" ; chebi:smiles "C1=CC=C(C=C1)C(=O)CN" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104022" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-amino-1-phenylethanone" . obo:CHEBI_104023 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C23H18N2O3" ; chebi:inchi "InChI=1S/C23H18N2O3/c26-23(27)20-9-2-4-11-22(20)24-17-7-5-8-19(14-17)28-15-18-13-12-16-6-1-3-10-21(16)25-18/h1-14,24H,15H2,(H,26,27)" ; chebi:inchikey "LMPZHLXYBWGGNT-UHFFFAOYSA-N" ; chebi:mass "370.401" ; chebi:monoisotopicmass "370.13174" ; chebi:smiles "C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)NC4=CC=CC=C4C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104023" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[3-(2-quinolinylmethoxy)anilino]benzoic acid" . obo:CHEBI_104024 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C12H13ClN6O" ; chebi:inchi "InChI=1S/C12H13ClN6O/c1-19(2)11-9(13)17-8(10(14)18-11)12(20)16-7-4-3-5-15-6-7/h3-6H,1-2H3,(H2,14,18)(H,16,20)" ; chebi:inchikey "RNGRUHWJJPTYNR-UHFFFAOYSA-N" ; chebi:mass "292.725" ; chebi:monoisotopicmass "292.08394" ; chebi:smiles "CN(C)C1=NC(=C(N=C1Cl)C(=O)NC2=CN=CC=C2)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104024" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-amino-6-chloro-5-(dimethylamino)-N-(3-pyridinyl)-2-pyrazinecarboxamide" . obo:CHEBI_104025 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25238 ; chebi:charge "0" ; chebi:formula "C17H23NO4" ; chebi:inchi "InChI=1S/C17H23NO4/c1-18-12-5-6-13(18)10-14(9-12)22-17(19)11-4-7-15(20-2)16(8-11)21-3/h4,7-8,12-14H,5-6,9-10H2,1-3H3/t12-,13-/m1/s1" ; chebi:inchikey "AEFPCFUCFQBXDQ-CHWSQXEVSA-N" ; chebi:mass "305.369" ; chebi:monoisotopicmass "305.16271" ; chebi:smiles "CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)C3=CC(=C(C=C3)OC)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104025" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,4-dimethoxybenzoic acid [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester" . obo:CHEBI_104026 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C16H25NO4" ; chebi:inchi "InChI=1S/C16H25NO4/c1-12-8-17(9-13(2)21-12)10-14(18)11-20-16-6-4-15(19-3)5-7-16/h4-7,12-14,18H,8-11H2,1-3H3" ; chebi:inchikey "CCGHVAGELGVBQD-UHFFFAOYSA-N" ; chebi:mass "295.375" ; chebi:monoisotopicmass "295.17836" ; chebi:smiles "CC1CN(CC(O1)C)CC(COC2=CC=C(C=C2)OC)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104026" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,6-dimethyl-4-morpholinyl)-3-(4-methoxyphenoxy)-2-propanol" . obo:CHEBI_104027 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38976 ; chebi:charge "0" ; chebi:formula "C17H29NO2" ; chebi:inchi "InChI=1S/C17H29NO2/c1-16(2,3)14-9-7-8-10-15(14)20-12-13(19)11-18-17(4,5)6/h7-10,13,18-19H,11-12H2,1-6H3" ; chebi:inchikey "UHWJPVZFBUZSSG-UHFFFAOYSA-N" ; chebi:mass "279.418" ; chebi:monoisotopicmass "279.21983" ; chebi:smiles "CC(C)(C)C1=CC=CC=C1OCC(CNC(C)(C)C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104027" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(tert-butylamino)-3-(2-tert-butylphenoxy)-2-propanol" . obo:CHEBI_104028 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H34N6O4" ; chebi:inchi "InChI=1S/C26H34N6O4/c1-33-20-8-6-19(7-9-20)30-12-14-31(15-13-30)25(23-17-21(34-2)10-11-24(23)35-3)26-27-28-29-32(26)18-22-5-4-16-36-22/h6-11,17,22,25H,4-5,12-16,18H2,1-3H3" ; chebi:inchikey "LDWGDKIDKBYSIM-UHFFFAOYSA-N" ; chebi:mass "494.587" ; chebi:monoisotopicmass "494.26415" ; chebi:smiles "COC1=CC=C(C=C1)N2CCN(CC2)C(C3=C(C=CC(=C3)OC)OC)C4=NN=NN4CC5CCCO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104028" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2,5-dimethoxyphenyl)-[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]-4-(4-methoxyphenyl)piperazine" . obo:CHEBI_104029 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; chebi:charge "0" ; chebi:formula "C13H17N3OS" ; chebi:inchi "InChI=1S/C13H17N3OS/c1-9-5-6-10(17-9)7-14-16-12-15-11(8-18-12)13(2,3)4/h5-8H,1-4H3,(H,15,16)" ; chebi:inchikey "ZQIPGMMXNTXGPR-UHFFFAOYSA-N" ; chebi:mass "263.360" ; chebi:monoisotopicmass "263.10923" ; chebi:smiles "CC1=CC=C(O1)C=NNC2=NC(=CS2)C(C)(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104029" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-tert-butyl-N-[(5-methyl-2-furanyl)methylideneamino]-2-thiazolamine" . obo:CHEBI_10403 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27863 ; owl:deprecated true . obo:CHEBI_104030 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C21H22N3O" ; chebi:inchi "InChI=1S/C21H21N3O/c1-16-9-11-17(12-10-16)19-14-23(21-8-5-13-24(19)21)15-20(25)22-18-6-3-2-4-7-18/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3/p+1" ; chebi:inchikey "MKWPYROABAONGW-UHFFFAOYSA-O" ; chebi:mass "332.420" ; chebi:monoisotopicmass "332.17574" ; chebi:smiles "CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)NC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104030" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-phenylacetamide" . obo:CHEBI_104031 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24828 ; chebi:charge "0" ; chebi:formula "C22H23N5O2S" ; chebi:inchi "InChI=1S/C22H23N5O2S/c1-13-6-5-9-18(14(13)2)25-20(28)12-30-22-27-26-21(29-22)17(23)10-15-11-24-19-8-4-3-7-16(15)19/h3-9,11,17,24H,10,12,23H2,1-2H3,(H,25,28)/t17-/m0/s1" ; chebi:inchikey "KFACAZZBECASJS-KRWDZBQOSA-N" ; chebi:mass "421.517" ; chebi:monoisotopicmass "421.15725" ; chebi:smiles "CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(O2)[C@H](CC3=CNC4=CC=CC=C43)N)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104031" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]thio]-N-(2,3-dimethylphenyl)acetamide" . obo:CHEBI_104032 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "+1" ; chebi:formula "C15H29N2O" ; chebi:inchi "InChI=1S/C15H28N2O/c1-14(2)11-7-8-12(9-11)15(14,3)16-13(18)10-17(4,5)6/h11-12H,7-10H2,1-6H3/p+1" ; chebi:inchikey "XXQURODNNRBKEW-UHFFFAOYSA-O" ; chebi:mass "253.404" ; chebi:monoisotopicmass "253.22744" ; chebi:smiles "CC1(C2CCC(C2)C1(C)NC(=O)C[N+](C)(C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104032" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "trimethyl-[2-oxo-2-[(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]ethyl]ammonium" . obo:CHEBI_104033 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C11H13FN6" ; chebi:inchi "InChI=1S/C11H13FN6/c1-2-10-15-17-11(18(10)13)16-14-7-8-5-3-4-6-9(8)12/h3-7H,2,13H2,1H3,(H,16,17)" ; chebi:inchikey "DGHXNZQGSIGCPJ-UHFFFAOYSA-N" ; chebi:mass "248.260" ; chebi:monoisotopicmass "248.11857" ; chebi:smiles "CCC1=NN=C(N1N)NN=CC2=CC=CC=C2F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104033" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-ethyl-N3-[(2-fluorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine" . obo:CHEBI_104034 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C19H21N3O3" ; chebi:inchi "InChI=1S/C19H21N3O3/c1-3-24-19(23)13-7-6-10-22(11-13)18-17-16(20-12(2)21-18)14-8-4-5-9-15(14)25-17/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3" ; chebi:inchikey "XVSASXGJQRVIDN-UHFFFAOYSA-N" ; chebi:mass "339.389" ; chebi:monoisotopicmass "339.15829" ; chebi:smiles "CCOC(=O)C1CCCN(C1)C2=NC(=NC3=C2OC4=CC=CC=C43)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104034" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)-3-piperidinecarboxylic acid ethyl ester" . obo:CHEBI_104035 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C20H26FNO3" ; chebi:inchi "InChI=1S/C20H26FNO3/c1-3-24-12-4-11-22-14-17-7-10-19(20(13-17)23-2)25-15-16-5-8-18(21)9-6-16/h5-10,13,22H,3-4,11-12,14-15H2,1-2H3" ; chebi:inchikey "ITJUEEFHEQFJNS-UHFFFAOYSA-N" ; chebi:mass "347.424" ; chebi:monoisotopicmass "347.18967" ; chebi:smiles "CCOCCCNCC1=CC(=C(C=C1)OCC2=CC=C(C=C2)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104035" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-ethoxy-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propanamine" . obo:CHEBI_104036 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_27171 ; rdfs:subClassOf obo:CHEBI_38101 ; rdfs:subClassOf obo:CHEBI_38106 ; chebi:charge "0" ; chebi:formula "C23H24N4O3S2" ; chebi:inchi "InChI=1S/C23H24N4O3S2/c1-26(2)11-12-27-22(29)21-20(17-9-4-5-10-18(17)32-21)25-23(27)31-14-19(28)24-15-7-6-8-16(13-15)30-3/h4-10,13H,11-12,14H2,1-3H3,(H,24,28)" ; chebi:inchikey "UFEQYRJCKVCSOS-UHFFFAOYSA-N" ; chebi:mass "468.595" ; chebi:monoisotopicmass "468.12898" ; chebi:smiles "CN(C)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NC4=CC(=CC=C4)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104036" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[3-[2-(dimethylamino)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]-N-(3-methoxyphenyl)acetamide" . obo:CHEBI_104037 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24059 ; chebi:charge "0" ; chebi:formula "C20H16N2" ; chebi:inchi "InChI=1S/C20H16N2/c1-14-10-12-15(13-11-14)21-22-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13,21H,1H3" ; chebi:inchikey "PNQGCUBIIRWOLO-UHFFFAOYSA-N" ; chebi:mass "284.355" ; chebi:monoisotopicmass "284.13135" ; chebi:smiles "CC1=CC=C(C=C1)NN=C2C3=CC=CC=C3C4=CC=CC=C42" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104037" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(9-fluorenylideneamino)-4-methylaniline" . obo:CHEBI_104038 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "0" ; chebi:formula "C21H24ClN3O3S" ; chebi:inchi "InChI=1S/C21H24ClN3O3S/c1-24(2)12-5-13-25(19(26)14-28-16-10-8-15(22)9-11-16)21-23-20-17(27-3)6-4-7-18(20)29-21/h4,6-11H,5,12-14H2,1-3H3" ; chebi:inchikey "KORYSINRSCHIAA-UHFFFAOYSA-N" ; chebi:mass "433.953" ; chebi:monoisotopicmass "433.12269" ; chebi:smiles "CN(C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)COC3=CC=C(C=C3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104038" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide" . obo:CHEBI_104039 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; chebi:charge "0" ; chebi:formula "C12H17N3S" ; chebi:inchi "InChI=1S/C12H17N3S/c1-4-5-15-8(2)6-10(9(15)3)11-7-16-12(13)14-11/h6-7H,4-5H2,1-3H3,(H2,13,14)" ; chebi:inchikey "ANNYAOZIWXFBSS-UHFFFAOYSA-N" ; chebi:mass "235.350" ; chebi:monoisotopicmass "235.11432" ; chebi:smiles "CCCN1C(=CC(=C1C)C2=CSC(=N2)N)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104039" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-thiazolamine" . obo:CHEBI_10404 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15341 ; owl:deprecated true . obo:CHEBI_104040 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H23ClN2O3S" ; chebi:inchi "InChI=1S/C22H23ClN2O3S/c23-20-8-11-22(28-16-18-4-2-1-3-5-18)19(14-20)15-25-13-12-17-6-9-21(10-7-17)29(24,26)27/h1-11,14,25H,12-13,15-16H2,(H2,24,26,27)" ; chebi:inchikey "JOFPPGQIKAPUQO-UHFFFAOYSA-N" ; chebi:mass "430.949" ; chebi:monoisotopicmass "430.11179" ; chebi:smiles "C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CNCCC3=CC=C(C=C3)S(=O)(=O)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104040" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[2-[(5-chloro-2-phenylmethoxyphenyl)methylamino]ethyl]benzenesulfonamide" . obo:CHEBI_104041 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38785 ; chebi:charge "0" ; chebi:formula "C17H30N2O" ; chebi:inchi "InChI=1S/C17H30N2O/c1(3-19-4-6-20-7-5-19)2-18-17-15-9-13-8-14(11-15)12-16(17)10-13/h13-18H,1-12H2" ; chebi:inchikey "PTOISOHRJJUJID-UHFFFAOYSA-N" ; chebi:mass "278.434" ; chebi:monoisotopicmass "278.23581" ; chebi:smiles "C1COCCN1CCCNC2C3CC4CC2CC(C3)C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104041" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(4-morpholinyl)propyl]-2-adamantanamine" . obo:CHEBI_104042 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "0" ; chebi:formula "C27H31NO3" ; chebi:inchi "InChI=1S/C27H31NO3/c1-2-27(30)24-13-15-26(16-14-24)31-21-25(29)20-28(19-23-11-7-4-8-12-23)18-17-22-9-5-3-6-10-22/h3-16,25,29H,2,17-21H2,1H3" ; chebi:inchikey "RQDZLDRYAKHKPP-UHFFFAOYSA-N" ; chebi:mass "417.541" ; chebi:monoisotopicmass "417.23039" ; chebi:smiles "CCC(=O)C1=CC=C(C=C1)OCC(CN(CCC2=CC=CC=C2)CC3=CC=CC=C3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104042" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-[2-hydroxy-3-[2-phenylethyl-(phenylmethyl)amino]propoxy]phenyl]-1-propanone" . obo:CHEBI_104043 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C17H26ClNO2" ; chebi:inchi "InChI=1S/C17H26ClNO2/c1-2-3-8-17(20,15-4-6-16(18)7-5-15)9-10-19-11-13-21-14-12-19/h4-7,20H,2-3,8-14H2,1H3" ; chebi:inchikey "JQGJZCGPFJCXDL-UHFFFAOYSA-N" ; chebi:mass "311.847" ; chebi:monoisotopicmass "311.16521" ; chebi:smiles "CCCCC(CCN1CCOCC1)(C2=CC=C(C=C2)Cl)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104043" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-chlorophenyl)-1-(4-morpholinyl)-3-heptanol" . obo:CHEBI_104044 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C14H19ClN2O" ; chebi:inchi "InChI=1S/C14H19ClN2O/c1-12(13-5-3-2-4-6-13)16-7-9-17(10-8-16)14(18)11-15/h2-6,12H,7-11H2,1H3" ; chebi:inchikey "SFALRUMUWIIQMK-UHFFFAOYSA-N" ; chebi:mass "266.767" ; chebi:monoisotopicmass "266.11859" ; chebi:smiles "CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)CCl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104044" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-chloro-1-[4-(1-phenylethyl)-1-piperazinyl]ethanone" . obo:CHEBI_104045 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50075 ; chebi:charge "0" ; chebi:formula "C26H29N3O6" ; chebi:inchi "InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,22,24H,13-14,16H2,1-4H3" ; chebi:inchikey "OEIGWXLWQNTHHG-UHFFFAOYSA-N" ; chebi:mass "479.526" ; chebi:monoisotopicmass "479.20564" ; chebi:smiles "CC1=NC(=C(C(C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN(C)CC3=CC=CC=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104045" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[2-[methyl-(phenylmethyl)amino]ethyl] ester" . obo:CHEBI_104046 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "0" ; chebi:formula "C21H24ClN3O2S" ; chebi:inchi "InChI=1S/C21H24ClN3O2S/c1-15-6-4-7-18-20(15)23-21(28-18)25(13-5-12-24(2)3)19(26)14-27-17-10-8-16(22)9-11-17/h4,6-11H,5,12-14H2,1-3H3" ; chebi:inchikey "MLQBEUZAAKBBBK-UHFFFAOYSA-N" ; chebi:mass "417.954" ; chebi:monoisotopicmass "417.12778" ; chebi:smiles "CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)COC3=CC=C(C=C3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104046" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide" . obo:CHEBI_104047 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "+1" ; chebi:formula "C20H20NO2" ; chebi:inchi "InChI=1S/C20H20NO2/c1-2-23-20(22)15-21-13-12-17-10-6-7-11-18(17)19(21)14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3/q+1" ; chebi:inchikey "HYGFHCMHDKEVAK-UHFFFAOYSA-N" ; chebi:mass "306.379" ; chebi:monoisotopicmass "306.14886" ; chebi:smiles "CCOC(=O)C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104047" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[1-(phenylmethyl)-2-isoquinolin-2-iumyl]acetic acid ethyl ester" . obo:CHEBI_104048 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25409 ; chebi:charge "0" ; chebi:formula "C21H35NO2" ; chebi:inchi "InChI=1S/C21H35NO2/c1-15(2)20-11-10-16(3)12-21(20)24-14-19(23)13-22-17(4)18-8-6-5-7-9-18/h5-9,15-17,19-23H,10-14H2,1-4H3" ; chebi:inchikey "JTFAPYUEBOLXAA-UHFFFAOYSA-N" ; chebi:mass "333.509" ; chebi:monoisotopicmass "333.26678" ; chebi:smiles "CC1CCC(C(C1)OCC(CNC(C)C2=CC=CC=C2)O)C(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104048" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(1-phenylethylamino)-2-propanol" . obo:CHEBI_104049 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22715 ; chebi:charge "0" ; chebi:formula "C20H27N3O2" ; chebi:inchi "InChI=1S/C20H27N3O2/c1-2-3-4-5-8-13-22-16-10-6-7-11-17(16)23(20(22)21)15-18(24)19-12-9-14-25-19/h6-7,9-12,14,18,21,24H,2-5,8,13,15H2,1H3" ; chebi:inchikey "GANLGRNROBRFHX-UHFFFAOYSA-N" ; chebi:mass "341.448" ; chebi:monoisotopicmass "341.21033" ; chebi:smiles "CCCCCCCN1C2=CC=CC=C2N(C1=N)CC(C3=CC=CO3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104049" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-furanyl)-2-(3-heptyl-2-imino-1-benzimidazolyl)ethanol" . obo:CHEBI_10405 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28994 ; owl:deprecated true . obo:CHEBI_104050 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22715 ; chebi:charge "0" ; chebi:formula "C10H13N3O" ; chebi:inchi "InChI=1S/C10H13N3O/c11-7-3-4-8-9(6-7)13-10(12-8)2-1-5-14/h3-4,6,14H,1-2,5,11H2,(H,12,13)" ; chebi:inchikey "BVNWGDZNXNWEIB-UHFFFAOYSA-N" ; chebi:mass "191.230" ; chebi:monoisotopicmass "191.10586" ; chebi:smiles "C1=CC2=C(C=C1N)NC(=N2)CCCO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104050" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(6-amino-1H-benzimidazol-2-yl)-1-propanol" . obo:CHEBI_104051 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C21H25NO2" ; chebi:inchi "InChI=1S/C21H25NO2/c1-17(16-22-14-8-9-15-22)24-21(23)20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,20H,8-9,14-16H2,1H3" ; chebi:inchikey "BVODEVLJXZALEU-UHFFFAOYSA-N" ; chebi:mass "323.429" ; chebi:monoisotopicmass "323.18853" ; chebi:smiles "CC(CN1CCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104051" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2-diphenylacetic acid 1-(1-pyrrolidinyl)propan-2-yl ester" . obo:CHEBI_104052 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H38N4O3S2" ; chebi:inchi "InChI=1S/C28H38N4O3S2/c1-5-21-12-17-25-26(20-21)36-28(29-25)32(19-9-18-30(2)3)27(33)22-13-15-24(16-14-22)37(34,35)31(4)23-10-7-6-8-11-23/h12-17,20,23H,5-11,18-19H2,1-4H3" ; chebi:inchikey "ODAZHZCEIAHTBZ-UHFFFAOYSA-N" ; chebi:mass "542.760" ; chebi:monoisotopicmass "542.23853" ; chebi:smiles "CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104052" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide" . obo:CHEBI_104053 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46848 ; chebi:charge "0" ; chebi:formula "C17H25N5" ; chebi:inchi "InChI=1S/C17H25N5/c1-4-21(5-2)16-14-8-6-7-9-15(14)18-17(19-16)22-12-10-20(3)11-13-22/h6-9H,4-5,10-13H2,1-3H3" ; chebi:inchikey "OQJDEQRNNWINFZ-UHFFFAOYSA-N" ; chebi:mass "299.415" ; chebi:monoisotopicmass "299.21100" ; chebi:smiles "CCN(CC)C1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104053" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N,N-diethyl-2-(4-methyl-1-piperazinyl)-4-quinazolinamine" . obo:CHEBI_104054 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "+1" ; chebi:formula "C14H15Cl2N2" ; chebi:inchi "InChI=1S/C14H15Cl2N2/c1-17(2)11-6-8-18(9-7-11)10-12-13(15)4-3-5-14(12)16/h3-9H,10H2,1-2H3/q+1" ; chebi:inchikey "NWEBNKIPPPLMNS-UHFFFAOYSA-N" ; chebi:mass "282.189" ; chebi:monoisotopicmass "281.06068" ; chebi:smiles "CN(C)C1=CC=[N+](C=C1)CC2=C(C=CC=C2Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104054" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-4-pyridin-1-iumamine" . obo:CHEBI_104055 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38976 ; chebi:charge "0" ; chebi:formula "C16H17Cl2NO" ; chebi:inchi "InChI=1S/C16H17Cl2NO/c1-11(16(20)12-5-3-2-4-6-12)19-10-13-7-8-14(17)9-15(13)18/h2-9,11,16,19-20H,10H2,1H3" ; chebi:inchikey "JHYSENDMFUMZPU-UHFFFAOYSA-N" ; chebi:mass "310.219" ; chebi:monoisotopicmass "309.06872" ; chebi:smiles "CC(C(C1=CC=CC=C1)O)NCC2=C(C=C(C=C2)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104055" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2,4-dichlorophenyl)methylamino]-1-phenyl-1-propanol" . obo:CHEBI_104056 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_27171 ; rdfs:subClassOf obo:CHEBI_38101 ; rdfs:subClassOf obo:CHEBI_38106 ; chebi:charge "0" ; chebi:formula "C14H12N4S" ; chebi:inchi "InChI=1S/C14H12N4S/c1-2-10-11(3-1)19-14-12(10)13(16-8-17-14)18-9-4-6-15-7-5-9/h4-8H,1-3H2,(H,15,16,17,18)" ; chebi:inchikey "VUMKKNQXNAGPRJ-UHFFFAOYSA-N" ; chebi:mass "268.338" ; chebi:monoisotopicmass "268.07827" ; chebi:smiles "C1CC2=C(C1)SC3=NC=NC(=C23)NC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104056" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-pyridin-4-yl-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine" . obo:CHEBI_104057 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C31H32ClN3O2" ; chebi:inchi "InChI=1S/C31H32ClN3O2/c32-26-14-9-15-27(22-26)34-20-18-33(19-21-34)16-7-8-17-35-29(36)23-28(31(35)37)30(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-6,9-15,22H,7-8,16-21,23H2" ; chebi:inchikey "ROGAOFMHAQAPFV-UHFFFAOYSA-N" ; chebi:mass "514.059" ; chebi:monoisotopicmass "513.21830" ; chebi:smiles "C1CN(CCN1CCCCN2C(=O)CC(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2=O)C5=CC(=CC=C5)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104057" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-[4-(3-chlorophenyl)-1-piperazinyl]butyl]-3-(diphenylmethylene)pyrrolidine-2,5-dione" . obo:CHEBI_104058 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C23H27N5O2" ; chebi:inchi "InChI=1S/C23H27N5O2/c1-30-21-14-17(10-11-20(21)29)22(23-24-25-26-28(23)19-8-4-5-9-19)27-13-12-16-6-2-3-7-18(16)15-27/h2-3,6-7,10-11,14,19,22,29H,4-5,8-9,12-13,15H2,1H3" ; chebi:inchikey "ZLKIBTOQISIPFV-UHFFFAOYSA-N" ; chebi:mass "405.494" ; chebi:monoisotopicmass "405.21648" ; chebi:smiles "COC1=C(C=CC(=C1)C(C2=NN=NN2C3CCCC3)N4CCC5=CC=CC=C5C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104058" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(1-cyclopentyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol" . obo:CHEBI_104059 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22715 ; chebi:charge "0" ; chebi:formula "C24H32N4O2" ; chebi:inchi "InChI=1S/C24H32N4O2/c1-19-8-7-9-21(16-19)30-18-20(29)17-28-23-11-4-3-10-22(23)27(24(28)25)15-14-26-12-5-2-6-13-26/h3-4,7-11,16,20,25,29H,2,5-6,12-15,17-18H2,1H3" ; chebi:inchikey "DDXGBMILSYHELN-UHFFFAOYSA-N" ; chebi:mass "408.537" ; chebi:monoisotopicmass "408.25253" ; chebi:smiles "CC1=CC(=CC=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CCN4CCCCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104059" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-imino-3-[2-(1-piperidinyl)ethyl]-1-benzimidazolyl]-3-(3-methylphenoxy)-2-propanol" . obo:CHEBI_10406 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28563 ; owl:deprecated true . obo:CHEBI_104060 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24921 ; chebi:charge "0" ; chebi:formula "C18H19NO3" ; chebi:inchi "InChI=1S/C18H19NO3/c1-21-15-8-11-5-6-19-14-7-10-3-4-12(20)9-13(10)17(16(11)14)18(15)22-2/h3-4,8-9,14,19-20H,5-7H2,1-2H3" ; chebi:inchikey "KUECBJOPWMRHEX-UHFFFAOYSA-N" ; chebi:mass "297.349" ; chebi:monoisotopicmass "297.13649" ; chebi:smiles "COC1=C(C2=C3C(CC4=C2C=C(C=C4)O)NCCC3=C1)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104060" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-ol" . obo:CHEBI_104061 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33833 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C18H26N6O2" ; chebi:inchi "InChI=1S/C18H26N6O2/c1-2-15(17-19-20-21-24(17)14-6-3-4-7-14)22-9-11-23(12-10-22)18(25)16-8-5-13-26-16/h5,8,13-15H,2-4,6-7,9-12H2,1H3" ; chebi:inchikey "CJMISAWAJDLQIT-UHFFFAOYSA-N" ; chebi:mass "358.439" ; chebi:monoisotopicmass "358.21172" ; chebi:smiles "CCC(C1=NN=NN1C2CCCC2)N3CCN(CC3)C(=O)C4=CC=CO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104061" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[4-[1-(1-cyclopentyl-5-tetrazolyl)propyl]-1-piperazinyl]-(2-furanyl)methanone" . obo:CHEBI_104062 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38774 ; chebi:charge "0" ; chebi:formula "C12H14N2O2" ; chebi:inchi "InChI=1S/C12H14N2O2/c1-8-6-12(13-4-5-15)10-7-9(16)2-3-11(10)14-8/h2-3,6-7,15-16H,4-5H2,1H3,(H,13,14)" ; chebi:inchikey "UNPDIILTQRDEBJ-UHFFFAOYSA-N" ; chebi:mass "218.252" ; chebi:monoisotopicmass "218.10553" ; chebi:smiles "CC1=NC2=C(C=C(C=C2)O)C(=C1)NCCO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104062" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(2-hydroxyethylamino)-2-methyl-6-quinolinol" . obo:CHEBI_104063 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24828 ; chebi:charge "+1" ; chebi:formula "C18H12N5O2" ; chebi:inchi "InChI=1S/C18H11N5O2/c19-10-11-9-16-17(14-3-1-2-4-15(14)21-16)22(18(11)20)12-5-7-13(8-6-12)23(24)25/h1-9H,(H2,20,21)/p+1" ; chebi:inchikey "WQWZXDYPFLOXKI-UHFFFAOYSA-O" ; chebi:mass "330.321" ; chebi:monoisotopicmass "330.09855" ; chebi:smiles "C1=CC=C2C(=C1)C3=C(N2)C=C(C(=[N+]3C4=CC=C(C=C4)[N+](=O)[O-])N)C#N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104063" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-amino-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carbonitrile" . obo:CHEBI_104064 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38530 ; chebi:charge "0" ; chebi:formula "C18H18N4O" ; chebi:inchi "InChI=1S/C18H18N4O/c23-14-9-7-13(8-10-14)19-18-20-16-6-2-1-5-15(16)17(21-18)22-11-3-4-12-22/h1-2,5-10,23H,3-4,11-12H2,(H,19,20,21)" ; chebi:inchikey "NVPSCBQVMTWTEQ-UHFFFAOYSA-N" ; chebi:mass "306.362" ; chebi:monoisotopicmass "306.14806" ; chebi:smiles "C1CCN(C1)C2=NC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104064" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[[4-(1-pyrrolidinyl)-2-quinazolinyl]amino]phenol" . obo:CHEBI_104065 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C22H30N2O3" ; chebi:inchi "InChI=1S/C22H30N2O3/c1-22(2,3)24-21(25)16-27-19-11-10-18(14-20(19)26-4)15-23-13-12-17-8-6-5-7-9-17/h5-11,14,23H,12-13,15-16H2,1-4H3,(H,24,25)" ; chebi:inchikey "IPHMCOQJRMKMMF-UHFFFAOYSA-N" ; chebi:mass "370.486" ; chebi:monoisotopicmass "370.22564" ; chebi:smiles "CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNCCC2=CC=CC=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104065" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-tert-butyl-2-[2-methoxy-4-[(2-phenylethylamino)methyl]phenoxy]acetamide" . obo:CHEBI_104066 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35716 ; chebi:charge "0" ; chebi:formula "C11H11N3O3S" ; chebi:inchi "InChI=1S/C11H11N3O3S/c1-7-6-12-11(18-7)13-10(15)8-3-2-4-9(5-8)14(16)17/h2-5,7H,6H2,1H3,(H,12,13,15)" ; chebi:inchikey "ABXKIZOXAIJTAX-UHFFFAOYSA-N" ; chebi:mass "265.290" ; chebi:monoisotopicmass "265.05211" ; chebi:smiles "CC1CN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104066" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(5-methyl-4,5-dihydrothiazol-2-yl)-3-nitrobenzamide" . obo:CHEBI_104067 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "0" ; chebi:formula "C10H10Cl2N6" ; chebi:inchi "InChI=1S/C10H10Cl2N6/c1-6-15-17-10(18(6)13)16-14-5-7-8(11)3-2-4-9(7)12/h2-5H,13H2,1H3,(H,16,17)" ; chebi:inchikey "NEYXANVILPQNLA-UHFFFAOYSA-N" ; chebi:mass "285.133" ; chebi:monoisotopicmass "284.03440" ; chebi:smiles "CC1=NN=C(N1N)NN=CC2=C(C=CC=C2Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104067" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N3-[(2,6-dichlorophenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine" . obo:CHEBI_104068 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C30H33N3O4" ; chebi:inchi "InChI=1S/C30H33N3O4/c1-2-7-22-8-3-4-13-27(22)37-21-24(34)20-32-16-14-31(15-17-32)18-19-33-29(35)25-11-5-9-23-10-6-12-26(28(23)25)30(33)36/h2-6,8-13,24,34H,1,7,14-21H2" ; chebi:inchikey "YRMGKUZRKWDWIE-UHFFFAOYSA-N" ; chebi:mass "499.602" ; chebi:monoisotopicmass "499.24711" ; chebi:smiles "C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104068" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[2-[4-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione" . obo:CHEBI_104069 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C19H22ClN5O" ; chebi:inchi "InChI=1S/C19H22ClN5O/c20-18-10-4-1-6-15(18)12-24(13-17-9-5-11-26-17)14-19-21-22-23-25(19)16-7-2-3-8-16/h1,4-6,9-11,16H,2-3,7-8,12-14H2" ; chebi:inchikey "OKRUNHSVYVBMBF-UHFFFAOYSA-N" ; chebi:mass "371.865" ; chebi:monoisotopicmass "371.15129" ; chebi:smiles "C1CCC(C1)N2C(=NN=N2)CN(CC3=CC=CC=C3Cl)CC4=CC=CO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104069" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-chlorophenyl)-N-[(1-cyclopentyl-5-tetrazolyl)methyl]-N-(2-furanylmethyl)methanamine" . obo:CHEBI_10407 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27507 ; owl:deprecated true . obo:CHEBI_104070 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C11H15BrN2OS" ; chebi:inchi "InChI=1S/C11H15BrN2OS/c1-2-5-15-10-4-3-9(12)6-8(10)7-16-11(13)14/h3-4,6H,2,5,7H2,1H3,(H3,13,14)" ; chebi:inchikey "RNTOYPHAKLFIHA-UHFFFAOYSA-N" ; chebi:mass "303.220" ; chebi:monoisotopicmass "302.00885" ; chebi:smiles "CCCOC1=C(C=C(C=C1)Br)CSC(=N)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104070" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "carbamimidothioic acid (5-bromo-2-propoxyphenyl)methyl ester" . obo:CHEBI_104071 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35689 ; chebi:charge "0" ; chebi:formula "C14H11N7S" ; chebi:inchi "InChI=1S/C14H11N7S/c1-2-5-12(6-3-1)21-14(17-18-19-21)22-10-11-9-20-8-4-7-15-13(20)16-11/h1-9H,10H2" ; chebi:inchikey "XBIRJEIWYOSQBA-UHFFFAOYSA-N" ; chebi:mass "309.351" ; chebi:monoisotopicmass "309.07966" ; chebi:smiles "C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CN4C=CC=NC4=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104071" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[(1-phenyl-5-tetrazolyl)thio]methyl]imidazo[1,2-a]pyrimidine" . obo:CHEBI_104072 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50695 ; chebi:charge "0" ; chebi:formula "C21H24Cl2N2O2" ; chebi:inchi "InChI=1S/C21H24Cl2N2O2/c1-4-10-24-12-18-20(27-19-9-8-15(22)11-16(19)23)21(26)25(18)17-7-5-6-13(2)14(17)3/h5-9,11,18,20,24H,4,10,12H2,1-3H3" ; chebi:inchikey "PABJFNUPGAPYHR-UHFFFAOYSA-N" ; chebi:mass "407.334" ; chebi:monoisotopicmass "406.12148" ; chebi:smiles "CCCNCC1C(C(=O)N1C2=CC=CC(=C2C)C)OC3=C(C=C(C=C3)Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104072" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(2,4-dichlorophenoxy)-1-(2,3-dimethylphenyl)-4-(propylaminomethyl)-2-azetidinone" . obo:CHEBI_104073 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_64096 ; chebi:charge "0" ; chebi:formula "C14H11ClN2O3" ; chebi:inchi "InChI=1S/C14H11ClN2O3/c15-10-2-1-5-16-13(10)17-14(18)9-3-4-11-12(8-9)20-7-6-19-11/h1-5,8H,6-7H2,(H,16,17,18)" ; chebi:inchikey "XLPCOGBRASIGAR-UHFFFAOYSA-N" ; chebi:mass "290.702" ; chebi:monoisotopicmass "290.04582" ; chebi:smiles "C1COC2=C(O1)C=CC(=C2)C(=O)NC3=C(C=CC=N3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104073" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide" . obo:CHEBI_104074 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C22H19N5O" ; chebi:inchi "InChI=1S/C22H19N5O/c1-2-7-16(8-3-1)21-25-19-17-9-4-5-10-18(17)28-20(19)22(26-21)24-11-6-13-27-14-12-23-15-27/h1-5,7-10,12,14-15H,6,11,13H2,(H,24,25,26)" ; chebi:inchikey "ZXPRMDFCJHQDNF-UHFFFAOYSA-N" ; chebi:mass "369.420" ; chebi:monoisotopicmass "369.15896" ; chebi:smiles "C1=CC=C(C=C1)C2=NC3=C(C(=N2)NCCCN4C=CN=C4)OC5=CC=CC=C53" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104074" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(1-imidazolyl)propyl]-2-phenyl-4-benzofuro[3,2-d]pyrimidinamine" . obo:CHEBI_104075 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C20H23BrN2O3S2" ; chebi:inchi "InChI=1S/C20H23BrN2O3S2/c1-5-26-20(25)18-15(11-28-16-7-6-8-27-16)23(4)14-9-13(21)19(24)12(17(14)18)10-22(2)3/h6-9,24H,5,10-11H2,1-4H3" ; chebi:inchikey "NZDNHRDPEYHJMS-UHFFFAOYSA-N" ; chebi:mass "483.445" ; chebi:monoisotopicmass "482.03335" ; chebi:smiles "CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104075" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(thiophen-2-ylthio)methyl]-3-indolecarboxylic acid ethyl ester" . obo:CHEBI_104076 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H34N4O4S2" ; chebi:inchi "InChI=1S/C29H34N4O4S2/c1-5-37-25-13-9-14-26-27(25)30-29(38-26)33(20-10-19-31(2)3)28(34)23-15-17-24(18-16-23)39(35,36)32(4)21-22-11-7-6-8-12-22/h6-9,11-18H,5,10,19-21H2,1-4H3" ; chebi:inchikey "IWWLCALWBJNSIU-UHFFFAOYSA-N" ; chebi:mass "566.738" ; chebi:monoisotopicmass "566.20215" ; chebi:smiles "CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104076" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl-(phenylmethyl)sulfamoyl]benzamide" . obo:CHEBI_104077 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37942 ; chebi:charge "0" ; chebi:formula "C18H20N2O3S" ; chebi:inchi "InChI=1S/C18H20N2O3S/c1-12(21)19-17-16(18(22)23-2)14-8-9-20(11-15(14)24-17)10-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,19,21)" ; chebi:inchikey "LOQMXCXHODKEKF-UHFFFAOYSA-N" ; chebi:mass "344.430" ; chebi:monoisotopicmass "344.11946" ; chebi:smiles "CC(=O)NC1=C(C2=C(S1)CN(CC2)CC3=CC=CC=C3)C(=O)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104077" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-acetamido-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester" . obo:CHEBI_104078 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46848 ; chebi:charge "0" ; chebi:formula "C18H27N5" ; chebi:inchi "InChI=1S/C18H27N5/c1-3-11-23(12-4-2)18-20-16-8-6-5-7-15(16)17(21-18)22-13-9-19-10-14-22/h5-8,19H,3-4,9-14H2,1-2H3" ; chebi:inchikey "BHVFEFOMNRUGLC-UHFFFAOYSA-N" ; chebi:mass "313.441" ; chebi:monoisotopicmass "313.22665" ; chebi:smiles "CCCN(CCC)C1=NC2=CC=CC=C2C(=N1)N3CCNCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104078" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(1-piperazinyl)-N,N-dipropyl-2-quinazolinamine" . obo:CHEBI_104079 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C30H34N4O3S2" ; chebi:inchi "InChI=1S/C30H34N4O3S2/c1-4-22-12-17-26-28(21-22)38-30(31-26)33(19-8-18-32(2)3)29(35)24-13-15-25(16-14-24)39(36,37)34-20-7-10-23-9-5-6-11-27(23)34/h5-6,9,11-17,21H,4,7-8,10,18-20H2,1-3H3" ; chebi:inchikey "WXUASCZMBUYHBV-UHFFFAOYSA-N" ; chebi:mass "562.749" ; chebi:monoisotopicmass "562.20723" ; chebi:smiles "CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104079" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide" . obo:CHEBI_10408 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18396 ; owl:deprecated true . obo:CHEBI_104080 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23403 ; chebi:charge "0" ; chebi:formula "C19H26N2O4" ; chebi:inchi "InChI=1S/C19H26N2O4/c1-3-20-6-8-21(9-7-20)12-15(22)13-24-16-4-5-17-14(2)10-19(23)25-18(17)11-16/h4-5,10-11,15,22H,3,6-9,12-13H2,1-2H3" ; chebi:inchikey "CLDQJIAOGPECPO-UHFFFAOYSA-N" ; chebi:mass "346.421" ; chebi:monoisotopicmass "346.18926" ; chebi:smiles "CCN1CCN(CC1)CC(COC2=CC3=C(C=C2)C(=CC(=O)O3)C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104080" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "7-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one" . obo:CHEBI_104081 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C20H26N2O" ; chebi:inchi "InChI=1S/C20H26N2O/c1-16(2)13-14-21-15-19(23)22-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,20-21H,13-15H2,1-2H3,(H,22,23)" ; chebi:inchikey "OYIJAAHWFPOJPJ-UHFFFAOYSA-N" ; chebi:mass "310.434" ; chebi:monoisotopicmass "310.20451" ; chebi:smiles "CC(C)CCNCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104081" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(diphenylmethyl)-2-(3-methylbutylamino)acetamide" . obo:CHEBI_104082 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_143212 ; rdfs:subClassOf obo:CHEBI_27171 ; rdfs:subClassOf obo:CHEBI_38101 ; rdfs:subClassOf obo:CHEBI_38106 ; chebi:charge "0" ; chebi:formula "C13H17N3S" ; chebi:inchi "InChI=1S/C13H17N3S/c1-9-7-11-12(14-8-15-13(11)17-9)16-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,14,15,16)" ; chebi:inchikey "JPZZUSOFXUSHBG-UHFFFAOYSA-N" ; chebi:mass "247.361" ; chebi:monoisotopicmass "247.11432" ; chebi:smiles "CC1=CC2=C(N=CN=C2S1)NC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104082" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-cyclohexyl-6-methyl-4-thieno[2,3-d]pyrimidinamine" . obo:CHEBI_104083 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51681 ; chebi:charge "0" ; chebi:formula "C16H21N3O2S" ; chebi:inchi "InChI=1S/C16H21N3O2S/c1-20-14-6-5-13(11-15(14)21-2)12-17-7-4-10-22-16-18-8-3-9-19-16/h3,5-6,8-9,11,17H,4,7,10,12H2,1-2H3" ; chebi:inchikey "IACZANRWZYQFOD-UHFFFAOYSA-N" ; chebi:mass "319.424" ; chebi:monoisotopicmass "319.13545" ; chebi:smiles "COC1=C(C=C(C=C1)CNCCCSC2=NC=CC=N2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104083" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,4-dimethoxyphenyl)methyl]-3-(2-pyrimidinylthio)-1-propanamine" . obo:CHEBI_104084 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C12H15N3OS" ; chebi:inchi "InChI=1S/C12H15N3OS/c1-9-2-4-10(5-3-9)15-11(16)8-17-12-13-6-7-14-12/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)" ; chebi:inchikey "CHQVJNYCKRTYRO-UHFFFAOYSA-N" ; chebi:mass "249.334" ; chebi:monoisotopicmass "249.09358" ; chebi:smiles "CC1=CC=C(C=C1)NC(=O)CSC2=NCCN2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104084" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4,5-dihydro-1H-imidazol-2-ylthio)-N-(4-methylphenyl)acetamide" . obo:CHEBI_104085 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C21H28N2O2" ; chebi:inchi "InChI=1S/C21H28N2O2/c1-2-18-8-10-21(11-9-18)25-17-20(24)16-22-12-14-23(15-13-22)19-6-4-3-5-7-19/h3-11,20,24H,2,12-17H2,1H3" ; chebi:inchikey "YKVWVMYXYVXVLF-UHFFFAOYSA-N" ; chebi:mass "340.460" ; chebi:monoisotopicmass "340.21508" ; chebi:smiles "CCC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104085" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-ethylphenoxy)-3-(4-phenyl-1-piperazinyl)-2-propanol" . obo:CHEBI_104086 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31BrN4O3S2" ; chebi:inchi "InChI=1S/C25H31BrN4O3S2/c1-28(2)14-7-17-30(25-27-22-13-10-20(26)18-23(22)34-25)24(31)19-8-11-21(12-9-19)35(32,33)29-15-5-3-4-6-16-29/h8-13,18H,3-7,14-17H2,1-2H3" ; chebi:inchikey "FKTZJXIWJXXAPE-UHFFFAOYSA-N" ; chebi:mass "579.575" ; chebi:monoisotopicmass "578.10210" ; chebi:smiles "CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104086" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(1-azepanylsulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide" . obo:CHEBI_104087 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24828 ; chebi:charge "0" ; chebi:formula "C17H20N4OS" ; chebi:inchi "InChI=1S/C17H20N4OS/c1-11(2)7-8-23-17-21-20-16(22-17)14(18)9-12-10-19-15-6-4-3-5-13(12)15/h3-7,10,14,19H,8-9,18H2,1-2H3/t14-/m0/s1" ; chebi:inchikey "HTPVOZDKIZGALX-AWEZNQCLSA-N" ; chebi:mass "328.434" ; chebi:monoisotopicmass "328.13578" ; chebi:smiles "CC(=CCSC1=NN=C(O1)[C@H](CC2=CNC3=CC=CC=C32)N)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104087" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(1S)-2-(1H-indol-3-yl)-1-[5-(3-methylbut-2-enylthio)-1,3,4-oxadiazol-2-yl]ethanamine" . obo:CHEBI_104088 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C20H25ClN6O" ; chebi:inchi "InChI=1S/C20H25ClN6O/c1-3-18(20-22-23-24-27(20)14-17-5-4-12-28-17)25-8-10-26(11-9-25)19-13-16(21)7-6-15(19)2/h4-7,12-13,18H,3,8-11,14H2,1-2H3" ; chebi:inchikey "SJFXIUUZVGMJJU-UHFFFAOYSA-N" ; chebi:mass "400.906" ; chebi:monoisotopicmass "400.17784" ; chebi:smiles "CCC(C1=NN=NN1CC2=CC=CO2)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104088" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(5-chloro-2-methylphenyl)-4-[1-[1-(2-furanylmethyl)-5-tetrazolyl]propyl]piperazine" . obo:CHEBI_104089 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36054 ; chebi:charge "0" ; chebi:formula "C21H21NO4" ; chebi:inchi "InChI=1S/C21H21NO4/c1-25-21(24)17-9-7-16(8-10-17)20-12-11-18(26-20)13-22-14-19(23)15-5-3-2-4-6-15/h2-12,19,22-23H,13-14H2,1H3" ; chebi:inchikey "IZCMAOLFFOUIRG-UHFFFAOYSA-N" ; chebi:mass "351.397" ; chebi:monoisotopicmass "351.14706" ; chebi:smiles "COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNCC(C3=CC=CC=C3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104089" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-furanyl]benzoic acid methyl ester" . obo:CHEBI_10409 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16402 ; owl:deprecated true . obo:CHEBI_104090 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C18H17N3O3" ; chebi:inchi "InChI=1S/C18H17N3O3/c22-15(12-5-6-16-17(9-12)24-11-23-16)10-21-14-4-2-1-3-13(14)20-8-7-19-18(20)21/h1-6,9,15,22H,7-8,10-11H2" ; chebi:inchikey "AUSZIBBUZHVDLH-UHFFFAOYSA-N" ; chebi:mass "323.347" ; chebi:monoisotopicmass "323.12699" ; chebi:smiles "C1CN2C3=CC=CC=C3N(C2=N1)CC(C4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104090" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol" . obo:CHEBI_104091 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38530 ; chebi:charge "0" ; chebi:formula "C15H13ClN4O" ; chebi:inchi "InChI=1S/C15H13ClN4O/c1-21-13-7-6-9(16)8-12(13)19-15-18-11-5-3-2-4-10(11)14(17)20-15/h2-8H,1H3,(H3,17,18,19,20)" ; chebi:inchikey "OMGXTBFTOSJKCQ-UHFFFAOYSA-N" ; chebi:mass "300.743" ; chebi:monoisotopicmass "300.07779" ; chebi:smiles "COC1=C(C=C(C=C1)Cl)NC2=NC3=CC=CC=C3C(=N2)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104091" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N2-(5-chloro-2-methoxyphenyl)quinazoline-2,4-diamine" . obo:CHEBI_104092 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C16H14F2N2O" ; chebi:inchi "InChI=1S/C16H14F2N2O/c17-13-5-3-6-14(18)15(13)16(21)20(12-7-8-12)10-11-4-1-2-9-19-11/h1-6,9,12H,7-8,10H2" ; chebi:inchikey "MRYXEFOYTNWSKF-UHFFFAOYSA-N" ; chebi:mass "288.293" ; chebi:monoisotopicmass "288.10742" ; chebi:smiles "C1CC1N(CC2=CC=CC=N2)C(=O)C3=C(C=CC=C3F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104092" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-cyclopropyl-2,6-difluoro-N-(2-pyridinylmethyl)benzamide" . obo:CHEBI_104093 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22715 ; chebi:charge "0" ; chebi:formula "C11H15N3O" ; chebi:inchi "InChI=1S/C11H15N3O/c1-8-3-4-10-9(7-8)13-11(14(10)2)12-5-6-15/h3-4,7,15H,5-6H2,1-2H3,(H,12,13)" ; chebi:inchikey "XKRZGNFAXFAKNC-UHFFFAOYSA-N" ; chebi:mass "205.257" ; chebi:monoisotopicmass "205.12151" ; chebi:smiles "CC1=CC2=C(C=C1)N(C(=N2)NCCO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104093" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1,5-dimethyl-2-benzimidazolyl)amino]ethanol" . obo:CHEBI_104094 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C14H17NO2" ; chebi:inchi "InChI=1S/C14H17NO2/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13/h2-7,10,14H,8-9,15H2,1H3" ; chebi:inchikey "AZSMKIIOFLZAOU-UHFFFAOYSA-N" ; chebi:mass "231.291" ; chebi:monoisotopicmass "231.12593" ; chebi:smiles "COC1=CC=C(C=C1)C(CCC2=CC=CO2)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104094" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(2-furanyl)-1-(4-methoxyphenyl)-1-propanamine" . obo:CHEBI_104095 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C22H16N4O" ; chebi:inchi "InChI=1S/C22H16N4O/c1-2-8-16(9-3-1)21-25-19-17-10-4-5-11-18(17)27-20(19)22(26-21)24-14-15-7-6-12-23-13-15/h1-13H,14H2,(H,24,25,26)" ; chebi:inchikey "FRBYEGJZPFGBKQ-UHFFFAOYSA-N" ; chebi:mass "352.389" ; chebi:monoisotopicmass "352.13241" ; chebi:smiles "C1=CC=C(C=C1)C2=NC3=C(C(=N2)NCC4=CN=CC=C4)OC5=CC=CC=C53" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104095" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-phenyl-N-(3-pyridinylmethyl)-4-benzofuro[3,2-d]pyrimidinamine" . obo:CHEBI_104096 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46848 ; chebi:charge "0" ; chebi:formula "C13H18N4" ; chebi:inchi "InChI=1S/C13H18N4/c1-10-3-4-11-12(9-10)15-13(14-11)17-7-5-16(2)6-8-17/h3-4,9H,5-8H2,1-2H3,(H,14,15)" ; chebi:inchikey "PRXJRQGRALJKMP-UHFFFAOYSA-N" ; chebi:mass "230.309" ; chebi:monoisotopicmass "230.15315" ; chebi:smiles "CC1=CC2=C(C=C1)N=C(N2)N3CCN(CC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104096" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-methyl-2-(4-methyl-1-piperazinyl)-1H-benzimidazole" . obo:CHEBI_104097 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24828 ; chebi:charge "0" ; chebi:formula "C16H20ClN3S" ; chebi:inchi "InChI=1S/C16H20ClN3S/c1-4-19(5-2)8-9-20-14-7-6-12(17)10-13(14)15-16(20)21-11(3)18-15/h6-7,10H,4-5,8-9H2,1-3H3" ; chebi:inchikey "WCIBEZJZJGVGON-UHFFFAOYSA-N" ; chebi:mass "321.870" ; chebi:monoisotopicmass "321.10665" ; chebi:smiles "CCN(CC)CCN1C2=C(C=C(C=C2)Cl)C3=C1SC(=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104097" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(7-chloro-2-methyl-4-thiazolo[5,4-b]indolyl)-N,N-diethylethanamine" . obo:CHEBI_104098 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37942 ; chebi:charge "0" ; chebi:formula "C22H28N2O5S2" ; chebi:inchi "InChI=1S/C22H28N2O5S2/c1-4-29-22(26)20-17-10-12-24(15(2)3)14-18(17)30-21(20)23-19(25)11-13-31(27,28)16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3,(H,23,25)" ; chebi:inchikey "PVZLSZVJARPVTO-UHFFFAOYSA-N" ; chebi:mass "464.601" ; chebi:monoisotopicmass "464.14396" ; chebi:smiles "CCOC(=O)C1=C(SC2=C1CCN(C2)C(C)C)NC(=O)CCS(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104098" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester" . obo:CHEBI_104099 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38460 ; chebi:charge "0" ; chebi:formula "C16H24N2O2" ; chebi:inchi "InChI=1S/C16H24N2O2/c1-11-8-17-13-6-5-7-14(15(11)13)20-10-12(19)9-18-16(2,3)4/h5-8,12,17-19H,9-10H2,1-4H3" ; chebi:inchikey "XAIVBZMKIMCTMO-UHFFFAOYSA-N" ; chebi:mass "276.375" ; chebi:monoisotopicmass "276.18378" ; chebi:smiles "CC1=CNC2=C1C(=CC=C2)OCC(CNC(C)(C)C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104099" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]-2-propanol" . obo:CHEBI_1041 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27797 ; owl:deprecated true . obo:CHEBI_10410 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27476 ; owl:deprecated true . obo:CHEBI_104100 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C17H27NO3" ; chebi:inchi "InChI=1S/C17H27NO3/c1-12-5-13(2)7-17(6-12)20-11-16(19)10-18-8-14(3)21-15(4)9-18/h5-7,14-16,19H,8-11H2,1-4H3" ; chebi:inchikey "RBTQZJCHJLPEED-UHFFFAOYSA-N" ; chebi:mass "293.402" ; chebi:monoisotopicmass "293.19909" ; chebi:smiles "CC1CN(CC(O1)C)CC(COC2=CC(=CC(=C2)C)C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104100" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,6-dimethyl-4-morpholinyl)-3-(3,5-dimethylphenoxy)-2-propanol" . obo:CHEBI_104101 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24828 ; chebi:charge "0" ; chebi:formula "C22H23N5O2S" ; chebi:inchi "InChI=1S/C22H23N5O2S/c1-13-7-8-18(14(2)9-13)25-20(28)12-30-22-27-26-21(29-22)17(23)10-15-11-24-19-6-4-3-5-16(15)19/h3-9,11,17,24H,10,12,23H2,1-2H3,(H,25,28)/t17-/m0/s1" ; chebi:inchikey "HFGPIAHGJWWKDI-KRWDZBQOSA-N" ; chebi:mass "421.517" ; chebi:monoisotopicmass "421.15725" ; chebi:smiles "CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)[C@H](CC3=CNC4=CC=CC=C43)N)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104101" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]thio]-N-(2,4-dimethylphenyl)acetamide" . obo:CHEBI_104102 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48470 ; chebi:charge "0" ; chebi:formula "C24H24N4O5S" ; chebi:inchi "InChI=1S/C24H24N4O5S/c1-26(2)9-4-10-27(24-25-17-12-18-19(33-14-32-18)13-20(17)34-24)23(31)15-5-3-6-16(11-15)28-21(29)7-8-22(28)30/h3,5-6,11-13H,4,7-10,14H2,1-2H3" ; chebi:inchikey "BUZNYUKONGTFNO-UHFFFAOYSA-N" ; chebi:mass "480.538" ; chebi:monoisotopicmass "480.14674" ; chebi:smiles "CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC(=CC=C4)N5C(=O)CCC5=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104102" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-(2,5-dioxo-1-pyrrolidinyl)benzamide" . obo:CHEBI_104103 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51681 ; chebi:charge "0" ; chebi:formula "C15H15NO2" ; chebi:inchi "InChI=1S/C15H15NO2/c1-17-14-5-3-4-13(15(14)18-2)7-6-12-8-10-16-11-9-12/h3-11H,1-2H3" ; chebi:inchikey "HEWDNEROQMJEKI-UHFFFAOYSA-N" ; chebi:mass "241.286" ; chebi:monoisotopicmass "241.11028" ; chebi:smiles "COC1=CC=CC(=C1OC)C=CC2=CC=NC=C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104103" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[2-(2,3-dimethoxyphenyl)ethenyl]pyridine" . obo:CHEBI_104104 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C19H19NOS" ; chebi:inchi "InChI=1S/C19H19NOS/c1-2-5-17(6-3-1)15-21-18-10-8-16(9-11-18)13-20-14-19-7-4-12-22-19/h1-12,20H,13-15H2" ; chebi:inchikey "NBJSYTGLGDBHFD-UHFFFAOYSA-N" ; chebi:mass "309.427" ; chebi:monoisotopicmass "309.11874" ; chebi:smiles "C1=CC=C(C=C1)COC2=CC=C(C=C2)CNCC3=CC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104104" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine" . obo:CHEBI_104105 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C19H19BrFN5O3" ; chebi:inchi "InChI=1S/C19H19BrFN5O3/c20-14-5-6-16(28-11-12-3-1-2-4-15(12)21)13(9-14)10-23-7-8-24-19(27)17-18(22)26-29-25-17/h1-6,9,23H,7-8,10-11H2,(H2,22,26)(H,24,27)" ; chebi:inchikey "VJTIFSGFGLTUDR-UHFFFAOYSA-N" ; chebi:mass "464.289" ; chebi:monoisotopicmass "463.06553" ; chebi:smiles "C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)CNCCNC(=O)C3=NON=C3N)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104105" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-amino-N-[2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide" . obo:CHEBI_104106 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26776 ; chebi:charge "0" ; chebi:formula "C20H23NO3" ; chebi:inchi "InChI=1S/C20H23NO3/c1-23-18-9-7-17(8-10-18)20(22)19(16-5-3-2-4-6-16)15-21-11-13-24-14-12-21/h2-10,19H,11-15H2,1H3" ; chebi:inchikey "QOABVBAPHTTZBQ-UHFFFAOYSA-N" ; chebi:mass "325.402" ; chebi:monoisotopicmass "325.16779" ; chebi:smiles "COC1=CC=C(C=C1)C(=O)C(CN2CCOCC2)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104106" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-methoxyphenyl)-3-(4-morpholinyl)-2-phenyl-1-propanone" . obo:CHEBI_104107 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C26H25N2O2" ; chebi:inchi "InChI=1S/C26H25N2O2/c1-26(2)22-11-7-8-12-23(22)27(3)24(26)17-21(29)18-28-15-13-20(14-16-28)25(30)19-9-5-4-6-10-19/h4-17H,18H2,1-3H3/q+1" ; chebi:inchikey "WODMGVOQYAYICN-UHFFFAOYSA-N" ; chebi:mass "397.490" ; chebi:monoisotopicmass "397.19105" ; chebi:smiles "CC1(C2=CC=CC=C2N(C1=CC(=O)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104107" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-benzoyl-1-pyridin-1-iumyl)-3-(1,3,3-trimethyl-2-indolylidene)-2-propanone" . obo:CHEBI_104108 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26799 ; chebi:charge "0" ; chebi:formula "C18H20N2O2" ; chebi:inchi "InChI=1S/C18H20N2O2/c21-18(17-9-5-15-22-17)20-13-11-19(12-14-20)10-4-8-16-6-2-1-3-7-16/h1-9,15H,10-14H2" ; chebi:inchikey "LLPGQOJUSXJAJH-UHFFFAOYSA-N" ; chebi:mass "296.364" ; chebi:monoisotopicmass "296.15248" ; chebi:smiles "C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)C3=CC=CO3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104108" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-furanyl-[4-(3-phenylprop-2-enyl)-1-piperazinyl]methanone" . obo:CHEBI_104109 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25230 ; chebi:charge "0" ; chebi:formula "C13H14BrN3O2S" ; chebi:inchi "InChI=1S/C13H14BrN3O2S/c1-20-5-4-11(13(18)19)17-12-9-6-8(14)2-3-10(9)15-7-16-12/h2-3,6-7,11H,4-5H2,1H3,(H,18,19)(H,15,16,17)" ; chebi:inchikey "IUHZVPMVQBUAIR-UHFFFAOYSA-N" ; chebi:mass "356.239" ; chebi:monoisotopicmass "354.99901" ; chebi:smiles "CSCCC(C(=O)O)NC1=NC=NC2=C1C=C(C=C2)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104109" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(6-bromo-4-quinazolinyl)amino]-4-(methylthio)butanoic acid" . obo:CHEBI_10411 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27520 ; owl:deprecated true . obo:CHEBI_104110 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35716 ; chebi:charge "+1" ; chebi:formula "C14H13ClN3O3" ; chebi:inchi "InChI=1S/C14H12ClN3O3/c1-10-3-2-6-17(8-10)9-14(19)16-13-5-4-11(18(20)21)7-12(13)15/h2-8H,9H2,1H3/p+1" ; chebi:inchikey "UGSNLUMKMRAPPZ-UHFFFAOYSA-O" ; chebi:mass "306.725" ; chebi:monoisotopicmass "306.06400" ; chebi:smiles "CC1=C[N+](=CC=C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104110" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2-chloro-4-nitrophenyl)-2-(3-methyl-1-pyridin-1-iumyl)acetamide" . obo:CHEBI_104111 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_64096 ; chebi:charge "0" ; chebi:formula "C18H19N3O4S" ; chebi:inchi "InChI=1S/C18H19N3O4S/c1-21-7-6-10-14(8-21)26-18(15(10)16(19)22)20-17(23)13-9-24-11-4-2-3-5-12(11)25-13/h2-5,13H,6-9H2,1H3,(H2,19,22)(H,20,23)" ; chebi:inchikey "IOEWCPBBEIVYSM-UHFFFAOYSA-N" ; chebi:mass "373.428" ; chebi:monoisotopicmass "373.10963" ; chebi:smiles "CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3COC4=CC=CC=C4O3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104111" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide" . obo:CHEBI_104112 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48513 ; chebi:charge "0" ; chebi:formula "C17H22N2" ; chebi:inchi "InChI=1S/C17H22N2/c1-3-18-10-11-19-16-12(2)6-4-7-13(16)14-8-5-9-15(18)17(14)19/h4,6-7,15H,3,5,8-11H2,1-2H3" ; chebi:inchikey "IACMCONNVAWCFT-UHFFFAOYSA-N" ; chebi:mass "254.371" ; chebi:monoisotopicmass "254.17830" ; chebi:smiles "CCN1CCN2C3=C(CCCC31)C4=C2C(=CC=C4)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104112" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15470" . obo:CHEBI_104113 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H32N4O3S2" ; chebi:inchi "InChI=1S/C29H32N4O3S2/c1-21-8-6-11-26-27(21)30-29(37-26)33(18-7-17-31(2)3)28(34)23-12-14-25(15-13-23)38(35,36)32-19-16-22-9-4-5-10-24(22)20-32/h4-6,8-15H,7,16-20H2,1-3H3" ; chebi:inchikey "ULYMEGNMFCTJHO-UHFFFAOYSA-N" ; chebi:mass "548.723" ; chebi:monoisotopicmass "548.19158" ; chebi:smiles "CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104113" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide" . obo:CHEBI_104114 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C21H26ClNO2" ; chebi:inchi "InChI=1S/C21H26ClNO2/c1-2-24-20-13-17(14-23-18-10-6-7-11-18)12-19(22)21(20)25-15-16-8-4-3-5-9-16/h3-5,8-9,12-13,18,23H,2,6-7,10-11,14-15H2,1H3" ; chebi:inchikey "OXBGNWDZXDFSIY-UHFFFAOYSA-N" ; chebi:mass "359.890" ; chebi:monoisotopicmass "359.16521" ; chebi:smiles "CCOC1=C(C(=CC(=C1)CNC2CCCC2)Cl)OCC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104114" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine" . obo:CHEBI_104115 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C15H17N5O3" ; chebi:inchi "InChI=1S/C15H17N5O3/c1-9-11(13(21)19-15(23)18-9)8-17-20-14(22)12(16)7-10-5-3-2-4-6-10/h2-6,8,12,17H,7,16H2,1H3,(H,20,22)(H,19,21,23)/t12-/m0/s1" ; chebi:inchikey "UZUXFDCZDBXTLQ-LBPRGKRZSA-N" ; chebi:mass "315.328" ; chebi:monoisotopicmass "315.13314" ; chebi:smiles "CC1=NC(=O)NC(=O)C1=CNNC(=O)[C@H](CC2=CC=CC=C2)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104115" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-amino-N'-[(4-methyl-2,6-dioxo-5-pyrimidinylidene)methyl]-3-phenylpropanehydrazide" . obo:CHEBI_104116 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_27024 ; chebi:charge "0" ; chebi:formula "C15H19N5" ; chebi:inchi "InChI=1S/C15H19N5/c1-10-4-6-13(7-5-10)9-17-14(16)20-15-18-11(2)8-12(3)19-15/h4-8H,9H2,1-3H3,(H3,16,17,18,19,20)" ; chebi:inchikey "YXSUMTZEYLAKDC-UHFFFAOYSA-N" ; chebi:mass "269.345" ; chebi:monoisotopicmass "269.16405" ; chebi:smiles "CC1=CC=C(C=C1)CN=C(N)NC2=NC(=CC(=N2)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104116" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4,6-dimethyl-2-pyrimidinyl)-2-[(4-methylphenyl)methyl]guanidine" . obo:CHEBI_104117 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C19H21BrFN5O2S" ; chebi:inchi "InChI=1S/C19H21BrFN5O2S/c1-26-19(23-24-25-26)29-8-7-22-11-14-9-16(20)18(17(10-14)27-2)28-12-13-3-5-15(21)6-4-13/h3-6,9-10,22H,7-8,11-12H2,1-2H3" ; chebi:inchikey "SZWDKYLRWWCXMV-UHFFFAOYSA-N" ; chebi:mass "482.371" ; chebi:monoisotopicmass "481.05834" ; chebi:smiles "CN1C(=NN=N1)SCCNCC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)F)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104117" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine" . obo:CHEBI_104118 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C14H20FNO2" ; chebi:inchi "InChI=1S/C14H20FNO2/c15-13-3-5-14(6-4-13)18-10-2-1-7-16-8-11-17-12-9-16/h3-6H,1-2,7-12H2" ; chebi:inchikey "BYSZARZHVKVRGF-UHFFFAOYSA-N" ; chebi:mass "253.313" ; chebi:monoisotopicmass "253.14781" ; chebi:smiles "C1COCCN1CCCCOC2=CC=C(C=C2)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104118" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[4-(4-fluorophenoxy)butyl]morpholine" . obo:CHEBI_104119 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22715 ; chebi:charge "0" ; chebi:formula "C15H14ClN3" ; chebi:inchi "InChI=1S/C15H14ClN3/c16-11-7-5-10(6-8-11)12(17)9-15-18-13-3-1-2-4-14(13)19-15/h1-8,12H,9,17H2,(H,18,19)" ; chebi:inchikey "DAMLMDCTLYBKGT-UHFFFAOYSA-N" ; chebi:mass "271.745" ; chebi:monoisotopicmass "271.08763" ; chebi:smiles "C1=CC=C2C(=C1)NC(=N2)CC(C3=CC=C(C=C3)Cl)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104119" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanamine" . obo:CHEBI_10412 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28161 ; owl:deprecated true . obo:CHEBI_104120 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22950 . _:b297 rdf:type owl:Restriction . obo:CHEBI_104120 rdfs:subClassOf _:b297 . _:b297 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_49201 . _:b298 rdf:type owl:Restriction . obo:CHEBI_104120 rdfs:subClassOf _:b298 . _:b298 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_55324 . obo:CHEBI_104120 obo:IAO_0000115 "A butan-4-olide having a methylene group at the 3-position." ; chebi:charge "0" ; chebi:formula "C5H6O2" ; chebi:inchi "InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2" ; chebi:inchikey "GSLDEZOOOSBFGP-UHFFFAOYSA-N" ; chebi:mass "98.09990" ; chebi:monoisotopicmass "98.03678" ; chebi:smiles "C=C1CCOC1=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104120" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-methylene gamma-butyrolactone" . obo:CHEBI_104121 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_17962 . _:b299 rdf:type owl:Restriction . obo:CHEBI_104121 rdfs:subClassOf _:b299 . _:b299 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b300 rdf:type owl:Restriction . obo:CHEBI_104121 rdfs:subClassOf _:b300 . _:b300 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_28842 . obo:CHEBI_104121 obo:IAO_0000115 "A CDP-diacylglycerol in which both of the phosphatidyl acyl groups are specified as octadecanoyl (stearoyl)." ; chebi:charge "0" ; chebi:formula "C48H89N3O15P2" ; chebi:inchi "InChI=1S/C48H89N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h35-36,40-41,45-47,54-55H,3-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/t40-,41-,45-,46-,47-/m1/s1" ; chebi:inchikey "PDCWLWQTNQCGRI-IGIWICMZSA-N" ; chebi:mass "1010.181" ; chebi:monoisotopicmass "1009.57689" ; chebi:smiles "O(C[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O)P(OP(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(N=C(C=C2)N)=O)(=O)O)(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104121" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "1,2-dioctadecanoyl-sn-glycero-3-cytidine 5'-diphosphate" . obo:CHEBI_104122 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46848 ; chebi:charge "0" ; chebi:formula "C54H75N17O6" ; chebi:inchi "InChI=1S/C54H75N17O6/c1-6-25-75-27-29-77-30-28-76-26-16-57-52-59-53(61-54(60-52)69-23-19-67(20-24-69)51(74)49(38(5)7-2)71-36-47(63-65-71)43(55)31-37(3)4)68-21-17-66(18-22-68)50(73)48(34-41-33-40-10-8-9-11-45(40)58-41)70-35-46(62-64-70)44(56)32-39-12-14-42(72)15-13-39/h1,8-15,33,35-38,43-44,48-49,58,72H,7,16-32,34,55-56H2,2-5H3,(H,57,59,60,61)/t38-,43-,44-,48-,49-/m0/s1" ; chebi:inchikey "LYPJMAWICLVTBU-DFUAESMTSA-N" ; chebi:mass "1058.286" ; chebi:monoisotopicmass "1057.60862" ; chebi:smiles "CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)[C@H](CC4=CC5=CC=CC=C5N4)N6C=C(N=N6)[C@H](CC7=CC=C(C=C7)O)N)NCCOCCOCCOCC#C)N8C=C(N=N8)[C@H](CC(C)C)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104122" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S)-1-[4-[4-[4-[(2S)-2-[4-[(1S)-1-amino-2-(4-hydroxyphenyl)ethyl]-1-triazolyl]-3-(1H-indol-2-yl)-1-oxopropyl]-1-piperazinyl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]-1-piperazinyl]-2-[4-[(1S)-1-amino-3-methylbutyl]-1-triazolyl]-3-methyl-1-pentanone" . obo:CHEBI_104123 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36055 ; chebi:charge "0" ; chebi:formula "C13H19NO3" ; chebi:inchi "InChI=1S/C13H19NO3/c1-2-5-11-10(8-12(17-11)13(15)16)9-14-6-3-4-7-14/h8H,2-7,9H2,1H3,(H,15,16)" ; chebi:inchikey "BEVFYPNHCDGTJQ-UHFFFAOYSA-N" ; chebi:mass "237.295" ; chebi:monoisotopicmass "237.13649" ; chebi:smiles "CCCC1=C(C=C(O1)C(=O)O)CN2CCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104123" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-propyl-4-(1-pyrrolidinylmethyl)-2-furancarboxylic acid" . obo:CHEBI_104124 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C20H27N3O2" ; chebi:inchi "InChI=1S/C20H27N3O2/c1-16-6-5-7-19(17(16)2)25-15-18(24)14-22-10-12-23(13-11-22)20-8-3-4-9-21-20/h3-9,18,24H,10-15H2,1-2H3" ; chebi:inchikey "JVTUIUBKUWYEBL-UHFFFAOYSA-N" ; chebi:mass "341.448" ; chebi:monoisotopicmass "341.21033" ; chebi:smiles "CC1=C(C(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104124" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,3-dimethylphenoxy)-3-[4-(2-pyridinyl)-1-piperazinyl]-2-propanol" . obo:CHEBI_104125 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "0" ; chebi:formula "C19H20BrFN2O" ; chebi:inchi "InChI=1S/C19H20BrFN2O/c20-16-7-5-15(6-8-16)19(24)9-10-22-11-13-23(14-12-22)18-4-2-1-3-17(18)21/h1-8H,9-14H2" ; chebi:inchikey "COYPQWFXZVIOEG-UHFFFAOYSA-N" ; chebi:mass "391.278" ; chebi:monoisotopicmass "390.07430" ; chebi:smiles "C1CN(CCN1CCC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104125" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-bromophenyl)-3-[4-(2-fluorophenyl)-1-piperazinyl]-1-propanone" . obo:CHEBI_104126 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38530 ; chebi:charge "0" ; chebi:formula "C15H10F3N3" ; chebi:inchi "InChI=1S/C15H10F3N3/c16-15(17,18)10-4-3-5-11(8-10)21-14-12-6-1-2-7-13(12)19-9-20-14/h1-9H,(H,19,20,21)" ; chebi:inchikey "VCOMYMMMFREKQC-UHFFFAOYSA-N" ; chebi:mass "289.256" ; chebi:monoisotopicmass "289.08268" ; chebi:smiles "C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104126" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(trifluoromethyl)phenyl]-4-quinazolinamine" . obo:CHEBI_104127 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H23ClN4O6S2" ; chebi:inchi "InChI=1S/C23H23ClN4O6S2/c24-18-8-7-16(28(30)31)14-22(18)36(32,33)26-19-5-2-1-4-17(19)23(29)25-15-20(21-6-3-13-35-21)27-9-11-34-12-10-27/h1-8,13-14,20,26H,9-12,15H2,(H,25,29)" ; chebi:inchikey "FRVCAGRHVBRWTQ-UHFFFAOYSA-N" ; chebi:mass "551.038" ; chebi:monoisotopicmass "550.07475" ; chebi:smiles "C1COCCN1C(CNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=CS4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104127" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2-chloro-5-nitrophenyl)sulfonylamino]-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]benzamide" . obo:CHEBI_104128 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_27024 ; chebi:charge "0" ; chebi:formula "C12H12Cl3N3S" ; chebi:inchi "InChI=1S/C12H12Cl3N3S/c1-7-3-5-8(6-4-7)9-16-10(12(13,14)15)18-11(17-9)19-2/h3-6,10H,1-2H3,(H,16,17,18)" ; chebi:inchikey "OJZPXUOLAGELTQ-UHFFFAOYSA-N" ; chebi:mass "336.669" ; chebi:monoisotopicmass "334.98175" ; chebi:smiles "CC1=CC=C(C=C1)C2=NC(N=C(N2)SC)C(Cl)(Cl)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104128" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-methylphenyl)-6-(methylthio)-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine" . obo:CHEBI_104129 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C22H19BrN6O" ; chebi:inchi "InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)" ; chebi:inchikey "RQCXKDWOCUJWQZ-UHFFFAOYSA-N" ; chebi:mass "463.330" ; chebi:monoisotopicmass "462.08037" ; chebi:smiles "C1COCCN1C2=NC=C(C=C2)C3=NC4=C(C(=C3)C5=CC(=CC=C5)Br)C(=NC=N4)N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104129" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-(3-bromophenyl)-7-[6-(4-morpholinyl)-3-pyridinyl]-4-pyrido[2,3-d]pyrimidinamine" . obo:CHEBI_10413 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27926 ; owl:deprecated true . obo:CHEBI_104130 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38093 ; chebi:charge "0" ; chebi:formula "C22H24F3N3O2S" ; chebi:inchi "InChI=1S/C22H24F3N3O2S/c23-22(24,25)16-5-6-20-18(15-16)28(17-3-1-2-4-19(17)31-20)21(30)7-8-26-9-11-27(12-10-26)13-14-29/h1-6,15,29H,7-14H2" ; chebi:inchikey "KRMKBOUUDPUIDK-UHFFFAOYSA-N" ; chebi:mass "451.507" ; chebi:monoisotopicmass "451.15413" ; chebi:smiles "C1CN(CCN1CCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104130" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanone" . obo:CHEBI_104131 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C24H33N3O2" ; chebi:inchi "InChI=1S/C24H33N3O2/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4/h5-13,20H,14-18H2,1-4H3,(H,25,28)" ; chebi:inchikey "UMTDAKAAYOXIKU-UHFFFAOYSA-N" ; chebi:mass "395.539" ; chebi:monoisotopicmass "395.25728" ; chebi:smiles "CC(C)(C)NC(=O)C(CN1CCN(CC1)C2=CC=CC=C2OC)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104131" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-tert-butyl-3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-phenylpropanamide" . obo:CHEBI_104132 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C9H11IN2O" ; chebi:inchi "InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1" ; chebi:inchikey "RKVRGRXOYDTUEY-QMMMGPOBSA-N" ; chebi:mass "290.101" ; chebi:monoisotopicmass "289.99161" ; chebi:smiles "C1CN[C@@H]1COC2=CC(=CN=C2)I" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104132" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[[(2S)-2-azetidinyl]methoxy]-5-iodopyridine" . obo:CHEBI_104133 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33853 ; chebi:charge "0" ; chebi:formula "C7H10N2O" ; chebi:inchi "InChI=1S/C7H10N2O/c8-9-5-6-2-1-3-7(10)4-6/h1-4,9-10H,5,8H2" ; chebi:inchikey "OFKWWALNMPEOSZ-UHFFFAOYSA-N" ; chebi:mass "138.167" ; chebi:monoisotopicmass "138.07931" ; chebi:smiles "C1=CC(=CC(=C1)O)CNN" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104133" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(hydrazinylmethyl)phenol" . obo:CHEBI_104134 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C17H19N5" ; chebi:inchi "InChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)" ; chebi:inchikey "FRPJGTNLZNXQEX-UHFFFAOYSA-N" ; chebi:mass "293.367" ; chebi:monoisotopicmass "293.16405" ; chebi:smiles "C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104134" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1H-benzimidazole" . obo:CHEBI_104135 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48513 ; chebi:charge "0" ; chebi:formula "C20H18N2" ; chebi:inchi "InChI=1S/C20H18N2/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18/h1-3,5-6,9-10,13H,4,7-8,11-12H2" ; chebi:inchikey "WXPVMCVBNSRZQA-UHFFFAOYSA-N" ; chebi:mass "286.371" ; chebi:monoisotopicmass "286.14700" ; chebi:smiles "C1CC2=C3C(=NCCN3C4=C2C=C(C=C4)C5=CC=CC=C5)C1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104135" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15493" . obo:CHEBI_104136 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46921 ; chebi:charge "0" ; chebi:formula "C27H26N2O3" ; chebi:inchi "InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m0/s1" ; chebi:inchikey "HQVHOQAKMCMIIM-FQEVSTJZSA-N" ; chebi:mass "426.508" ; chebi:monoisotopicmass "426.19434" ; chebi:smiles "CC1=C(C2=C3N1[C@H](COC3=CC=C2)CN4CCOCC4)C(=O)C5=CC=CC6=CC=CC=C65" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104136" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15495" . obo:CHEBI_104137 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38443 ; chebi:charge "0" ; chebi:formula "C18H16ClNO2" ; chebi:inchi "InChI=1S/C18H16ClNO2/c19-14-7-8-17-15(11-14)16(20-9-4-10-21)12-18(22-17)13-5-2-1-3-6-13/h1-3,5-8,11-12,21H,4,9-10H2" ; chebi:inchikey "SJHQERKLAJQWIZ-UHFFFAOYSA-N" ; chebi:mass "313.779" ; chebi:monoisotopicmass "313.08696" ; chebi:smiles "C1=CC=C(C=C1)C2=CC(=NCCCO)C3=C(O2)C=CC(=C3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104137" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[(6-chloro-2-phenyl-1-benzopyran-4-ylidene)amino]-1-propanol" . obo:CHEBI_104138 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38443 ; chebi:charge "0" ; chebi:formula "C19H18ClNO" ; chebi:inchi "InChI=1S/C19H18ClNO/c1-13(2)12-21-17-11-19(14-6-4-3-5-7-14)22-18-9-8-15(20)10-16(17)18/h3-11,13H,12H2,1-2H3" ; chebi:inchikey "QAIJLJNVSBGMNY-UHFFFAOYSA-N" ; chebi:mass "311.806" ; chebi:monoisotopicmass "311.10769" ; chebi:smiles "CC(C)CN=C1C=C(OC2=C1C=C(C=C2)Cl)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104138" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-chloro-N-(2-methylpropyl)-2-phenyl-1-benzopyran-4-imine" . obo:CHEBI_104139 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; chebi:charge "+1" ; chebi:formula "C23H23N2O" ; chebi:inchi "InChI=1S/C23H22N2O/c1-3-19(24-20-12-6-5-7-13-20)16-23-25(4-2)21-14-17-10-8-9-11-18(17)15-22(21)26-23/h5-16H,3-4H2,1-2H3/p+1" ; chebi:inchikey "PXIJCSZNPGOKCC-UHFFFAOYSA-O" ; chebi:mass "343.442" ; chebi:monoisotopicmass "343.18049" ; chebi:smiles "CCC(=CC1=[N+](C2=CC3=CC=CC=C3C=C2O1)CC)NC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104139" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[1-(3-ethyl-2-benzo[f][1,3]benzoxazol-3-iumyl)but-1-en-2-yl]aniline" . obo:CHEBI_10414 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16289 ; owl:deprecated true . obo:CHEBI_104140 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25553 ; chebi:charge "+1" ; chebi:formula "C19H21N2O6" ; chebi:inchi "InChI=1S/C19H21N2O6/c1-12-17(27-18(22)13-5-7-15(8-6-13)21(23)24)16-11-26-19(2,3)25-10-14(16)9-20(12)4/h5-9H,10-11H2,1-4H3/q+1" ; chebi:inchikey "FTBMIQNGUUNURB-UHFFFAOYSA-N" ; chebi:mass "373.381" ; chebi:monoisotopicmass "373.13941" ; chebi:smiles "CC1=[N+](C=C2COC(OCC2=C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104140" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-nitrobenzoic acid (3,3,7,8-tetramethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-7-ium-9-yl) ester" . obo:CHEBI_104141 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24828 ; chebi:charge "0" ; chebi:formula "C21H26N4O3" ; chebi:inchi "InChI=1S/C21H26N4O3/c1-6-28-12-15-10-22-14(3)24-21(15)23-11-19(26)20-13(2)25(4)18-8-7-16(27-5)9-17(18)20/h7-10H,6,11-12H2,1-5H3,(H,22,23,24)" ; chebi:inchikey "HUYQSJDFPUAWJV-UHFFFAOYSA-N" ; chebi:mass "382.457" ; chebi:monoisotopicmass "382.20049" ; chebi:smiles "CCOCC1=CN=C(N=C1NCC(=O)C2=C(N(C3=C2C=C(C=C3)OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104141" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[5-(ethoxymethyl)-2-methyl-4-pyrimidinyl]amino]-1-(5-methoxy-1,2-dimethyl-3-indolyl)ethanone" . obo:CHEBI_104142 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23665 ; rdfs:subClassOf obo:CHEBI_50996 ; chebi:charge "0" ; chebi:formula "C20H29N3O" ; chebi:inchi "InChI=1S/C20H29N3O/c1-20(2)14-17(13-19(15-20)23-8-10-24-11-9-23)21-16-6-5-7-18(12-16)22(3)4/h5-7,12-13H,8-11,14-15H2,1-4H3" ; chebi:inchikey "NVKIURJVXMOXJA-UHFFFAOYSA-N" ; chebi:mass "327.465" ; chebi:monoisotopicmass "327.23106" ; chebi:smiles "CC1(CC(=CC(=NC2=CC(=CC=C2)N(C)C)C1)N3CCOCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104142" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[[5,5-dimethyl-3-(4-morpholinyl)-1-cyclohex-2-enylidene]amino]-N,N-dimethylaniline" . obo:CHEBI_104143 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24059 ; chebi:charge "+2" ; chebi:formula "C31H48N2O3" ; chebi:inchi "InChI=1S/C31H48N2O3/c1-7-32(5,8-2)19-11-13-21-35-25-15-17-27-28-18-16-26(24-30(28)31(34)29(27)23-25)36-22-14-12-20-33(6,9-3)10-4/h15-18,23-24H,7-14,19-22H2,1-6H3/q+2" ; chebi:inchikey "XXFYBCRYOMKRSF-UHFFFAOYSA-N" ; chebi:mass "496.726" ; chebi:monoisotopicmass "496.36540" ; chebi:smiles "CC[N+](C)(CC)CCCCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCCCC[N+](C)(CC)CC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104143" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[[7-[4-[diethyl(methyl)ammonio]butoxy]-9-oxo-2-fluorenyl]oxy]butyl-diethyl-methylammonium" . obo:CHEBI_104144 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "+1" ; chebi:formula "C13H13ClN3S" ; chebi:inchi "InChI=1S/C13H13ClN3S/c1-18-13(16-17-9-3-2-4-10-17)15-12-7-5-11(14)6-8-12/h2-10H,1H3,(H,15,16)/q+1" ; chebi:inchikey "VGBPPDQNGDRDDL-UHFFFAOYSA-N" ; chebi:mass "278.782" ; chebi:monoisotopicmass "278.05132" ; chebi:smiles "CSC(=NC1=CC=C(C=C1)Cl)N[N+]2=CC=CC=C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104144" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N'-(4-chlorophenyl)-N-(1-pyridin-1-iumyl)carbamimidothioic acid methyl ester" . obo:CHEBI_104145 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "+1" ; chebi:formula "C20H21N2O2" ; chebi:inchi "InChI=1S/C20H21N2O2/c1-15-17(9-8-16-10-12-21(2)13-11-16)18-6-4-5-7-19(18)22(15)14-20(23)24-3/h4-13H,14H2,1-3H3/q+1" ; chebi:inchikey "LRTXUKRRTLYVBH-UHFFFAOYSA-N" ; chebi:mass "321.394" ; chebi:monoisotopicmass "321.15975" ; chebi:smiles "CC1=C(C2=CC=CC=C2N1CC(=O)OC)C=CC3=CC=[N+](C=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104145" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "methyl 2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]acetate" . obo:CHEBI_104146 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "+1" ; chebi:formula "C19H36NO2" ; chebi:inchi "InChI=1S/C19H36NO2/c1-20(15-11-12-16-20)17-19(21)22-18-13-9-7-5-3-2-4-6-8-10-14-18/h18H,2-17H2,1H3/q+1" ; chebi:inchikey "AKGQWHSLZGLQQQ-UHFFFAOYSA-N" ; chebi:mass "310.495" ; chebi:monoisotopicmass "310.27406" ; chebi:smiles "C[N+]1(CCCC1)CC(=O)OC2CCCCCCCCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104146" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(1-methyl-1-pyrrolidin-1-iumyl)acetic acid cyclododecyl ester" . obo:CHEBI_104147 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46775 ; chebi:charge "+1" ; chebi:formula "C14H26NO" ; chebi:inchi "InChI=1S/C14H26NO/c1-15(9-2-3-10-15)13-8-7-11-5-4-6-12(13)14(11)16/h11-14,16H,2-10H2,1H3/q+1" ; chebi:inchikey "XPLDIPBUNDHFNG-UHFFFAOYSA-N" ; chebi:mass "224.363" ; chebi:monoisotopicmass "224.20089" ; chebi:smiles "C[N+]1(CCCC1)C2CCC3CCCC2C3O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104147" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(1-methyl-1-pyrrolidin-1-iumyl)-9-bicyclo[3.3.1]nonanol" . obo:CHEBI_104148 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_84729 ; chebi:charge "0" ; chebi:formula "C15H15N3O2S" ; chebi:inchi "InChI=1S/C15H15N3O2S/c1-9-8-21-15(18-9)17-7-14(19)12-6-16-13-4-3-10(20-2)5-11(12)13/h3-6,8,16H,7H2,1-2H3,(H,17,18)" ; chebi:inchikey "RQNGOUSHTRNNBP-UHFFFAOYSA-N" ; chebi:mass "301.365" ; chebi:monoisotopicmass "301.08850" ; chebi:smiles "CC1=CSC(=N1)NCC(=O)C2=CNC3=C2C=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104148" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-2-thiazolyl)amino]ethanone" . obo:CHEBI_104149 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35716 ; chebi:charge "+1" ; chebi:formula "C18H20N5O4" ; chebi:inchi "InChI=1S/C18H20N5O4/c1-21-11-5-4-8-17(21)14-6-2-3-7-15(14)19-20-16-10-9-13(22(24)25)12-18(16)23(26)27/h4-5,8-12,14,20H,2-3,6-7H2,1H3/q+1" ; chebi:inchikey "WOJYSKMQJAIHRX-UHFFFAOYSA-N" ; chebi:mass "370.383" ; chebi:monoisotopicmass "370.15098" ; chebi:smiles "C[N+]1=CC=CC=C1C2CCCCC2=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104149" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[2-(1-methyl-2-pyridin-1-iumyl)cyclohexylidene]amino]-2,4-dinitroaniline" . obo:CHEBI_10415 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_15841 . _:b301 rdf:type owl:Restriction . obo:CHEBI_10415 rdfs:subClassOf _:b301 . _:b301 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25512 . obo:CHEBI_10415 obo:IAO_0000115 "A polypeptide consisting of 31 amino acid residues in the sequence Tyr-Gly-Gly-Phe-Met-Thr-Ser-Glu-Lys-Ser-Gln-Thr-Pro-Leu-Val-Thr-Leu-Phe-Lys-Asn-Ala-Ile-Ile-Lys-Asn-Ala-Tyr-Lys-Lys-Gly-Glu. It is an endogenous opioid peptide neurotransmitter found in the neurons of both the central and peripheral nervous system and results from processing of the precursor protein proopiomelanocortin (POMC)." ; chebi:charge "0" ; chebi:formula "C158H253N41O44S" ; chebi:inchi "InChI=1S/C158H253N41O44S/c1-17-84(9)126(153(237)184-102(44-29-34-65-163)137(221)188-112(74-120(168)210)142(226)173-86(11)131(215)185-110(73-94-48-52-96(206)53-49-94)146(230)179-99(41-26-31-62-160)135(219)177-98(40-25-30-61-159)134(218)172-78-124(214)175-106(158(242)243)56-59-119(167)209)195-154(238)127(85(10)18-2)194-132(216)87(12)174-143(227)113(75-121(169)211)187-136(220)100(42-27-32-63-161)180-147(231)111(72-92-38-23-20-24-39-92)186-144(228)107(68-81(3)4)190-155(239)129(89(14)203)197-152(236)125(83(7)8)193-148(232)108(69-82(5)6)189-151(235)116-45-35-66-199(116)157(241)130(90(15)204)198-140(224)104(55-58-118(166)208)182-149(233)114(79-200)191-138(222)101(43-28-33-64-162)178-139(223)103(54-57-117(165)207)181-150(234)115(80-201)192-156(240)128(88(13)202)196-141(225)105(60-67-244-16)183-145(229)109(71-91-36-21-19-22-37-91)176-123(213)77-170-122(212)76-171-133(217)97(164)70-93-46-50-95(205)51-47-93/h19-24,36-39,46-53,81-90,97-116,125-130,200-206H,17-18,25-35,40-45,54-80,159-164H2,1-16H3,(H2,165,207)(H2,166,208)(H2,167,209)(H2,168,210)(H2,169,211)(H,170,212)(H,171,217)(H,172,218)(H,173,226)(H,174,227)(H,175,214)(H,176,213)(H,177,219)(H,178,223)(H,179,230)(H,180,231)(H,181,234)(H,182,233)(H,183,229)(H,184,237)(H,185,215)(H,186,228)(H,187,220)(H,188,221)(H,189,235)(H,190,239)(H,191,222)(H,192,240)(H,193,232)(H,194,216)(H,195,238)(H,196,225)(H,197,236)(H,198,224)(H,242,243)/t84-,85-,86-,87-,88+,89+,90+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,125-,126-,127-,128-,129-,130-/m0/s1" ; chebi:inchikey "WOPZMFQRCBYPJU-NTXHZHDSSA-N" ; chebi:mass "3463.01300" ; chebi:monoisotopicmass "3460.85408" ; chebi:smiles "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10415" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-endorphin" . obo:CHEBI_104150 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51245 ; chebi:charge "0" ; chebi:formula "C19H20N2" ; chebi:inchi "InChI=1S/C19H20N2/c1-2-8-14-21(13-7-1)19-17-11-4-3-9-15(17)16-10-5-6-12-18(16)20-19/h3-6,9-12H,1-2,7-8,13-14H2" ; chebi:inchikey "KWRPLALZCYOWQM-UHFFFAOYSA-N" ; chebi:mass "276.376" ; chebi:monoisotopicmass "276.16265" ; chebi:smiles "C1CCCN(CC1)C2=NC3=CC=CC=C3C4=CC=CC=C42" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104150" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-(1-azepanyl)phenanthridine" . obo:CHEBI_104151 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26799 ; chebi:charge "+1" ; chebi:formula "C14H13BrN" ; chebi:inchi "InChI=1S/C14H13BrN/c1-16-10-8-13(9-11-16)3-2-12-4-6-14(15)7-5-12/h2-11H,1H3/q+1" ; chebi:inchikey "BKPYYYGUAPETPF-UHFFFAOYSA-N" ; chebi:mass "275.164" ; chebi:monoisotopicmass "274.02259" ; chebi:smiles "C[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104151" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[2-(4-bromophenyl)ethenyl]-1-methylpyridin-1-ium" . obo:CHEBI_104152 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38779 ; chebi:charge "+1" ; chebi:formula "C7H15N4" ; chebi:inchi "InChI=1S/C7H15N4/c1-11-5-8-2-9(6-11)4-10(3-8)7-11/h2-7H2,1H3/q+1" ; chebi:inchikey "ZWRDTZZCWMQVJM-UHFFFAOYSA-N" ; chebi:mass "155.221" ; chebi:monoisotopicmass "155.12912" ; chebi:smiles "C[N+]12CN3CN(C1)CN(C3)C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104152" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15511" . obo:CHEBI_104153 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26375 ; chebi:charge "+1" ; chebi:formula "C22H33N6O2" ; chebi:inchi "InChI=1S/C22H32N6O2/c1-4-5-6-7-8-9-12-27-13-10-11-17(14-27)21(30)28-16(3)15(2)24-19-18(28)20(29)26-22(23)25-19/h10-11,13-16H,4-9,12H2,1-3H3,(H3-,23,24,25,26,29)/p+1" ; chebi:inchikey "INZXOUIJUWOAQI-UHFFFAOYSA-O" ; chebi:mass "413.537" ; chebi:monoisotopicmass "413.26595" ; chebi:smiles "CCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2C(C(NC3=C2C(=O)N=C(N3)N)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104153" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-amino-6,7-dimethyl-5-[(1-octyl-3-pyridin-1-iumyl)-oxomethyl]-1,6,7,8-tetrahydropteridin-4-one" . obo:CHEBI_104154 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24828 ; chebi:charge "+1" ; chebi:formula "C23H28N3O" ; chebi:inchi "InChI=1S/C23H28N3O/c1-5-25(6-2)23(27)17-26-18(3)20(21-9-7-8-10-22(21)26)12-11-19-13-15-24(4)16-14-19/h7-16H,5-6,17H2,1-4H3/q+1" ; chebi:inchikey "JMQIUTULSXUGLC-UHFFFAOYSA-N" ; chebi:mass "362.489" ; chebi:monoisotopicmass "362.22269" ; chebi:smiles "CCN(CC)C(=O)CN1C(=C(C2=CC=CC=C21)C=CC3=CC=[N+](C=C3)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104154" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N,N-diethyl-2-[2-methyl-3-[2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-1-indolyl]acetamide" . obo:CHEBI_104155 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 . _:b302 rdf:type owl:Restriction . obo:CHEBI_104155 rdfs:subClassOf _:b302 . _:b302 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17154 . obo:CHEBI_104155 chebi:charge "0" ; chebi:formula "C16H20N2O2" ; chebi:inchi "InChI=1S/C16H20N2O2/c19-14-4-13(8-17-9-14)15(20)18-16-5-10-1-11(6-16)3-12(2-10)7-16/h4,8-12,19H,1-3,5-7H2,(H,18,20)" ; chebi:inchikey "WFNXVOCHFYIBDP-UHFFFAOYSA-N" ; chebi:mass "272.343" ; chebi:monoisotopicmass "272.15248" ; chebi:smiles "C1C2CC3(CC1CC(C3)C2)NC(=O)C4=CC(=CN=C4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104155" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(1-adamantyl)-5-hydroxy-3-pyridinecarboxamide" . obo:CHEBI_104156 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38771 ; chebi:charge "0" ; chebi:formula "C8H6N2O4" ; chebi:inchi "InChI=1S/C8H6N2O4/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4,13-14H" ; chebi:inchikey "UOOBPWKQJFEXQO-UHFFFAOYSA-N" ; chebi:mass "194.145" ; chebi:monoisotopicmass "194.03276" ; chebi:smiles "C1=CC=C2C(=C1)N(C(=O)C(=O)N2O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104156" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1,4-dihydroxyquinoxaline-2,3-dione" . obo:CHEBI_104157 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "+1" ; chebi:formula "C22H22NO4" ; chebi:inchi "InChI=1S/C22H22NO4/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18/h6-12H,1-5H3/q+1" ; chebi:inchikey "GOEJQGGEIVSVOK-UHFFFAOYSA-N" ; chebi:mass "364.415" ; chebi:monoisotopicmass "364.15433" ; chebi:smiles "CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104157" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,3,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium" . obo:CHEBI_104158 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38785 ; rdfs:subClassOf obo:CHEBI_47804 ; chebi:charge "0" ; chebi:formula "C27H34N4O4" ; chebi:inchi "InChI=1S/C27H34N4O4/c32-26(9-10-29-11-15-34-16-12-29)28-23-8-7-22-6-5-21-3-1-2-4-24(21)31(25(22)19-23)27(33)20-30-13-17-35-18-14-30/h1-4,7-8,19H,5-6,9-18,20H2,(H,28,32)" ; chebi:inchikey "ODJLZTDZFXQOIH-UHFFFAOYSA-N" ; chebi:mass "478.584" ; chebi:monoisotopicmass "478.25801" ; chebi:smiles "C1CC2=CC=CC=C2N(C3=C1C=CC(=C3)NC(=O)CCN4CCOCC4)C(=O)CN5CCOCC5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104158" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-morpholinyl)-N-[11-[2-(4-morpholinyl)-1-oxoethyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]propanamide" . obo:CHEBI_104159 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C23H27BrN2O3S" ; chebi:inchi "InChI=1S/C23H27BrN2O3S/c1-6-29-23(28)21-19(13-30-15-9-7-14(2)8-10-15)26(5)18-11-17(24)22(27)16(20(18)21)12-25(3)4/h7-11,27H,6,12-13H2,1-5H3" ; chebi:inchikey "VLSGAOYACVQQIC-UHFFFAOYSA-N" ; chebi:mass "491.443" ; chebi:monoisotopicmass "490.09258" ; chebi:smiles "CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=C(C=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104159" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[[(4-methylphenyl)thio]methyl]-3-indolecarboxylic acid ethyl ester" . obo:CHEBI_10416 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27795 ; owl:deprecated true . obo:CHEBI_104160 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C16H19N3O" ; chebi:inchi "InChI=1S/C16H19N3O/c20-16(15-9-4-5-11-18-15)19-12-6-10-17-13-14-7-2-1-3-8-14/h1-5,7-9,11,17H,6,10,12-13H2,(H,19,20)" ; chebi:inchikey "GGUVPGZAANNKDU-UHFFFAOYSA-N" ; chebi:mass "269.342" ; chebi:monoisotopicmass "269.15281" ; chebi:smiles "C1=CC=C(C=C1)CNCCCNC(=O)C2=CC=CC=N2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104160" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-[(phenylmethyl)amino]propyl]-2-pyridinecarboxamide" . obo:CHEBI_104161 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38924 ; chebi:charge "0" ; chebi:formula "C21H22BrNOS" ; chebi:inchi "InChI=1S/C21H22BrNOS/c22-16-5-6-20-18(11-16)21(17-4-2-1-3-15(17)13-25-20)24-19-12-23-9-7-14(19)8-10-23/h1-6,11,14,19,21H,7-10,12-13H2" ; chebi:inchikey "LVUDIWHCHFHYEK-UHFFFAOYSA-N" ; chebi:mass "416.376" ; chebi:monoisotopicmass "415.06055" ; chebi:smiles "C1CN2CCC1C(C2)OC3C4=CC=CC=C4CSC5=C3C=C(C=C5)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104161" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[(2-bromo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]-1-azabicyclo[2.2.2]octane" . obo:CHEBI_104162 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37910 ; chebi:charge "0" ; chebi:formula "C20H24N2" ; chebi:inchi "InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m1/s1" ; chebi:inchikey "MVMQESMQSYOVGV-OAHLLOKOSA-N" ; chebi:mass "292.419" ; chebi:monoisotopicmass "292.19395" ; chebi:smiles "C[C@H](C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104162" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N,N-dimethyl-2-[3-[(1S)-1-(2-pyridinyl)ethyl]-1H-inden-2-yl]ethanamine" . obo:CHEBI_104163 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51681 ; chebi:charge "0" ; chebi:formula "C18H31NO2S" ; chebi:inchi "InChI=1S/C18H31NO2S/c1-5-6-7-8-9-12-22-18-14-16(20-3)15(10-11-19-2)13-17(18)21-4/h13-14,19H,5-12H2,1-4H3" ; chebi:inchikey "QHYGSNAGFBDJNF-UHFFFAOYSA-N" ; chebi:mass "325.511" ; chebi:monoisotopicmass "325.20755" ; chebi:smiles "CCCCCCCSC1=C(C=C(C(=C1)OC)CCNC)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104163" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[4-(heptylthio)-2,5-dimethoxyphenyl]-N-methylethanamine" . obo:CHEBI_104164 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; rdfs:subClassOf obo:CHEBI_35715 ; chebi:charge "0" ; chebi:formula "C13H14N4O2" ; chebi:inchi "InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2" ; chebi:inchikey "GGDBEAVVGFNWIA-UHFFFAOYSA-N" ; chebi:mass "258.276" ; chebi:monoisotopicmass "258.11168" ; chebi:smiles "C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)[N+](=O)[O-]" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104164" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-nitro-2-(1-piperazinyl)quinoline" . obo:CHEBI_104165 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35683 ; chebi:charge "0" ; chebi:formula "C17H34N6O2S" ; chebi:inchi "InChI=1S/C17H34N6O2S/c1-4-15(21(2)3)16-19-20-17(26-14-6-18-5-11-24)23(16)8-7-22-9-12-25-13-10-22/h15,18,24H,4-14H2,1-3H3" ; chebi:inchikey "UGVAQPSDWKEPHE-UHFFFAOYSA-N" ; chebi:mass "386.558" ; chebi:monoisotopicmass "386.24640" ; chebi:smiles "CCC(C1=NN=C(N1CCN2CCOCC2)SCCNCCO)N(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104165" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[2-[[5-[1-(dimethylamino)propyl]-4-[2-(4-morpholinyl)ethyl]-1,2,4-triazol-3-yl]thio]ethylamino]ethanol" . obo:CHEBI_104166 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35716 ; chebi:charge "0" ; chebi:formula "C19H21N3O3S" ; chebi:inchi "InChI=1S/C19H21N3O3S/c1-26-18-8-2-15(3-9-18)14-20-10-12-21(13-11-20)19(23)16-4-6-17(7-5-16)22(24)25/h2-9H,10-14H2,1H3" ; chebi:inchikey "RBIMEIXDDYSEGP-UHFFFAOYSA-N" ; chebi:mass "371.455" ; chebi:monoisotopicmass "371.13036" ; chebi:smiles "CSC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104166" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-(4-nitrophenyl)methanone" . obo:CHEBI_104167 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C22H24BrN3O2S" ; chebi:inchi "InChI=1S/C22H24BrN3O2S/c1-25(2)13-4-14-26(21(27)17-5-9-18(23)10-6-17)22-24-20(15-29-22)16-7-11-19(28-3)12-8-16/h5-12,15H,4,13-14H2,1-3H3" ; chebi:inchikey "ITOFQOOZDWVBAP-UHFFFAOYSA-N" ; chebi:mass "474.415" ; chebi:monoisotopicmass "473.07726" ; chebi:smiles "CN(C)CCCN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104167" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-bromo-N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-2-thiazolyl]benzamide" . obo:CHEBI_104168 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H30N2O2" ; chebi:inchi "InChI=1S/C22H30N2O2/c1-6-16(2)20-12-7-8-13-21(20)23-22(25)17(3)24(4)15-18-10-9-11-19(14-18)26-5/h7-14,16-17H,6,15H2,1-5H3,(H,23,25)" ; chebi:inchikey "CRFFVEROTIZWCB-UHFFFAOYSA-N" ; chebi:mass "354.487" ; chebi:monoisotopicmass "354.23073" ; chebi:smiles "CCC(C)C1=CC=CC=C1NC(=O)C(C)N(C)CC2=CC(=CC=C2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104168" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2-butan-2-ylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide" . obo:CHEBI_104169 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; chebi:charge "0" ; chebi:formula "C14H17NO" ; chebi:inchi "InChI=1S/C14H17NO/c1-15(2)9-10-16-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,9-10H2,1-2H3" ; chebi:inchikey "ZGSQBSCXVDPEMV-UHFFFAOYSA-N" ; chebi:mass "215.291" ; chebi:monoisotopicmass "215.13101" ; chebi:smiles "CN(C)CCOC1=CC2=CC=CC=C2C=C1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104169" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N,N-dimethyl-2-(2-naphthalenyloxy)ethanamine" . obo:CHEBI_10417 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26878 ; rdfs:subClassOf obo:CHEBI_36785 ; rdfs:subClassOf obo:CHEBI_62508 . _:b303 rdf:type owl:Restriction . obo:CHEBI_10417 rdfs:subClassOf _:b303 . _:b303 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_27311 . obo:CHEBI_10417 obo:IAO_0000115 "A carbobicyclic compound that is trans-decalin substituted at positions 2, 4a, and 8 by 2-hydroxypropan-2-yl, methyl and methylidene groups, respectively (the 2R,4aR,8aS-diastereoisomer)." ; chebi:charge "0" ; chebi:formula "C15H26O" ; chebi:inchi "InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1" ; chebi:inchikey "BOPIMTNSYWYZOC-VNHYZAJKSA-N" ; chebi:mass "222.36630" ; chebi:monoisotopicmass "222.19837" ; chebi:smiles "[H][C@@]12C[C@@H](CC[C@@]1(C)CCCC2=C)C(C)(C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10417" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-eudesmol" . obo:CHEBI_104170 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H27FN2O" ; chebi:inchi "InChI=1S/C23H27FN2O/c24-21-10-6-20(7-11-21)23(27)26-16-14-25(15-17-26)22-12-8-19(9-13-22)18-4-2-1-3-5-18/h1-7,10-11,19,22H,8-9,12-17H2" ; chebi:inchikey "MSXNTDQMFQNMMD-UHFFFAOYSA-N" ; chebi:mass "366.473" ; chebi:monoisotopicmass "366.21074" ; chebi:smiles "C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104170" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4-fluorophenyl)-[4-(4-phenylcyclohexyl)-1-piperazinyl]methanone" . obo:CHEBI_104171 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C17H23N3O4" ; chebi:inchi "InChI=1S/C17H23N3O4/c1-3-19-4-6-20(7-5-19)10-17(22)18-14-9-16-15(23-11-24-16)8-13(14)12(2)21/h8-9H,3-7,10-11H2,1-2H3,(H,18,22)" ; chebi:inchikey "UBQKKSHJVHJOAL-UHFFFAOYSA-N" ; chebi:mass "333.383" ; chebi:monoisotopicmass "333.16886" ; chebi:smiles "CCN1CCN(CC1)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104171" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-ethyl-1-piperazinyl)acetamide" . obo:CHEBI_104172 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C20H23NO2" ; chebi:inchi "InChI=1S/C20H23NO2/c1-3-13-21(14-4-2)15-16-22-19-11-8-12-20(17-19)23-18-9-6-5-7-10-18/h3-12,17H,1-2,13-16H2" ; chebi:inchikey "DKKHIPRRJVYCJS-UHFFFAOYSA-N" ; chebi:mass "309.403" ; chebi:monoisotopicmass "309.17288" ; chebi:smiles "C=CCN(CCOC1=CC=CC(=C1)OC2=CC=CC=C2)CC=C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104172" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-(3-phenoxyphenoxy)ethyl]-N-prop-2-enyl-2-propen-1-amine" . obo:CHEBI_104173 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38785 ; chebi:charge "0" ; chebi:formula "C22H27ClN4O4" ; chebi:inchi "InChI=1S/C22H27ClN4O4/c1-26(15-22(29)25-18-13-16(23)7-8-20(18)30-2)14-21(28)24-17-5-3-4-6-19(17)27-9-11-31-12-10-27/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,28)(H,25,29)" ; chebi:inchikey "XZHFWCWADXWVLL-UHFFFAOYSA-N" ; chebi:mass "446.928" ; chebi:monoisotopicmass "446.17208" ; chebi:smiles "CN(CC(=O)NC1=CC=CC=C1N2CCOCC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104173" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[2-(4-morpholinyl)phenyl]acetamide" . obo:CHEBI_104174 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C20H23F3N2" ; chebi:inchi "InChI=1S/C20H23F3N2/c1-16-6-2-3-7-17(16)14-24-10-12-25(13-11-24)15-18-8-4-5-9-19(18)20(21,22)23/h2-9H,10-15H2,1H3" ; chebi:inchikey "NTJSXLFPKFFCFG-UHFFFAOYSA-N" ; chebi:mass "348.406" ; chebi:monoisotopicmass "348.18133" ; chebi:smiles "CC1=CC=CC=C1CN2CCN(CC2)CC3=CC=CC=C3C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104174" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine" . obo:CHEBI_104175 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C14H21BrClNO2" ; chebi:inchi "InChI=1S/C14H21BrClNO2/c1-3-11(2)17-6-7-18-8-9-19-14-5-4-12(16)10-13(14)15/h4-5,10-11,17H,3,6-9H2,1-2H3" ; chebi:inchikey "FHEMKPMORHQQQS-UHFFFAOYSA-N" ; chebi:mass "350.679" ; chebi:monoisotopicmass "349.04442" ; chebi:smiles "CCC(C)NCCOCCOC1=C(C=C(C=C1)Cl)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104175" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethyl]-2-butanamine" . obo:CHEBI_104176 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "0" ; chebi:formula "C22H26FNO" ; chebi:inchi "InChI=1S/C22H26FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20H,4-5,8,13-17H2" ; chebi:inchikey "FTJXZACAQRDRNT-UHFFFAOYSA-N" ; chebi:mass "339.447" ; chebi:monoisotopicmass "339.19984" ; chebi:smiles "C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCCCC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104176" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4-fluorophenyl)-[1-(4-phenylbutyl)-4-piperidinyl]methanone" . obo:CHEBI_104177 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32952 ; chebi:charge "0" ; chebi:formula "C20H30N2O" ; chebi:inchi "InChI=1S/C20H30N2O/c23-20(22-14-5-2-6-15-22)19-11-16-21(17-12-19)13-7-10-18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2" ; chebi:inchikey "RBCQPZCZAKIOMH-UHFFFAOYSA-N" ; chebi:mass "314.466" ; chebi:monoisotopicmass "314.23581" ; chebi:smiles "C1CCN(CC1)C(=O)C2CCN(CC2)CCCC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104177" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[1-(3-phenylpropyl)-4-piperidinyl]-(1-piperidinyl)methanone" . obo:CHEBI_104178 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C16H21N3O4S" ; chebi:inchi "InChI=1S/C16H21N3O4S/c17-5-1-6-18-7-9-19(10-8-18)24(20,21)14-3-4-15-16(13-14)23-12-2-11-22-15/h3-4,13H,1-2,6-12H2" ; chebi:inchikey "DWICNPFMJASQND-UHFFFAOYSA-N" ; chebi:mass "351.422" ; chebi:monoisotopicmass "351.12528" ; chebi:smiles "C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N)OC1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104178" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]propanenitrile" . obo:CHEBI_104179 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48592 ; chebi:charge "0" ; chebi:formula "C17H28N2O2" ; chebi:inchi "InChI=1S/C17H28N2O2/c1-13(2)6-9-18-17(20)15-7-10-19(11-8-15)12-16-5-4-14(3)21-16/h4-5,13,15H,6-12H2,1-3H3,(H,18,20)" ; chebi:inchikey "HFPIDFFBVYFKEL-UHFFFAOYSA-N" ; chebi:mass "292.417" ; chebi:monoisotopicmass "292.21508" ; chebi:smiles "CC1=CC=C(O1)CN2CCC(CC2)C(=O)NCCC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104179" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(3-methylbutyl)-1-[(5-methyl-2-furanyl)methyl]-4-piperidinecarboxamide" . obo:CHEBI_10418 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39241 . _:b304 rdf:type owl:Restriction . obo:CHEBI_10418 rdfs:subClassOf _:b304 . _:b304 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . _:b305 rdf:type owl:Restriction . obo:CHEBI_10418 rdfs:subClassOf _:b305 . _:b305 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_72575 . obo:CHEBI_10418 obo:IAO_0000115 "A beta-farnesene in which the double bond at position 6-7 has E configuration. It is the major or sole alarm pheromone in most species of aphid." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+" ; chebi:inchikey "JSNRRGGBADWTMC-NTCAYCPXSA-N" ; chebi:mass "204.35106" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "CC(C)=CCC\\C(C)=C\\CCC(=C)C=C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10418" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "trans-beta-farnesene" . obo:CHEBI_104180 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38460 ; chebi:charge "0" ; chebi:formula "C18H23N3O" ; chebi:inchi "InChI=1S/C18H23N3O/c1-12-9-13(2)21(19-12)11-16(22)10-20-15(4)14(3)17-7-5-6-8-18(17)20/h5-9,16,22H,10-11H2,1-4H3" ; chebi:inchikey "ZHZAKMREZSLKFF-UHFFFAOYSA-N" ; chebi:mass "297.395" ; chebi:monoisotopicmass "297.18411" ; chebi:smiles "CC1=CC(=NN1CC(CN2C(=C(C3=CC=CC=C32)C)C)O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104180" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,3-dimethyl-1-indolyl)-3-(3,5-dimethyl-1-pyrazolyl)-2-propanol" . obo:CHEBI_104181 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C20H27N3O2S" ; chebi:inchi "InChI=1S/C20H27N3O2S/c1-2-5-17(6-3-1)19-15-21-20(23(19)16-18-7-4-11-25-18)26-14-10-22-8-12-24-13-9-22/h1-3,5-6,15,18H,4,7-14,16H2" ; chebi:inchikey "KVTXZXQSXDFEFG-UHFFFAOYSA-N" ; chebi:mass "373.514" ; chebi:monoisotopicmass "373.18240" ; chebi:smiles "C1CC(OC1)CN2C(=CN=C2SCCN3CCOCC3)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104181" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[2-[[1-(2-oxolanylmethyl)-5-phenyl-2-imidazolyl]thio]ethyl]morpholine" . obo:CHEBI_104182 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C20H23F3N2O" ; chebi:inchi "InChI=1S/C20H23F3N2O/c1-26-19-8-4-17(5-9-19)15-25-12-10-24(11-13-25)14-16-2-6-18(7-3-16)20(21,22)23/h2-9H,10-15H2,1H3" ; chebi:inchikey "QCNHHYSOAAGAKW-UHFFFAOYSA-N" ; chebi:mass "364.405" ; chebi:monoisotopicmass "364.17625" ; chebi:smiles "COC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104182" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine" . obo:CHEBI_104183 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C29H36N2O2" ; chebi:inchi "InChI=1S/C29H36N2O2/c1-32-28-14-13-26(29(21-28)33-2)23-30-18-16-27(17-19-30)31(22-25-11-7-4-8-12-25)20-15-24-9-5-3-6-10-24/h3-14,21,27H,15-20,22-23H2,1-2H3" ; chebi:inchikey "IOMRUVGLZCUFRT-UHFFFAOYSA-N" ; chebi:mass "444.609" ; chebi:monoisotopicmass "444.27768" ; chebi:smiles "COC1=CC(=C(C=C1)CN2CCC(CC2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104183" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2,4-dimethoxyphenyl)methyl]-N-(2-phenylethyl)-N-(phenylmethyl)-4-piperidinamine" . obo:CHEBI_104184 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C14H13ClFN" ; chebi:inchi "InChI=1S/C14H13ClFN/c15-14-4-2-1-3-12(14)10-17-9-11-5-7-13(16)8-6-11/h1-8,17H,9-10H2" ; chebi:inchikey "XZIIOVUWCNGFPS-UHFFFAOYSA-N" ; chebi:mass "249.712" ; chebi:monoisotopicmass "249.07206" ; chebi:smiles "C1=CC=C(C(=C1)CNCC2=CC=C(C=C2)F)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104184" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)methanamine" . obo:CHEBI_104185 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36786 ; chebi:charge "0" ; chebi:formula "C16H22INO" ; chebi:inchi "InChI=1S/C16H22INO/c1-2-10-18(11-4-9-17)14-8-7-13-5-3-6-16(19)15(13)12-14/h3-6,9,14,19H,2,7-8,10-12H2,1H3" ; chebi:inchikey "QBXHUZJZYDSLRH-UHFFFAOYSA-N" ; chebi:mass "371.257" ; chebi:monoisotopicmass "371.07461" ; chebi:smiles "CCCN(CC=CI)C1CCC2=C(C1)C(=CC=C2)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104185" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "7-[3-iodoprop-2-enyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol" . obo:CHEBI_104186 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22726 ; chebi:charge "0" ; chebi:formula "C19H19ClN2O2" ; chebi:inchi "InChI=1S/C19H19ClN2O2/c20-15-8-9-17(21-18(23)13-22-10-4-5-11-22)16(12-15)19(24)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,21,23)" ; chebi:inchikey "MXXVQXHPBWSQQG-UHFFFAOYSA-N" ; chebi:mass "342.820" ; chebi:monoisotopicmass "342.11351" ; chebi:smiles "C1CCN(C1)CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104186" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2-benzoyl-4-chlorophenyl)-2-(1-pyrrolidinyl)acetamide" . obo:CHEBI_104187 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C17H21N3O" ; chebi:inchi "InChI=1S/C17H21N3O/c1-11(2)18-10-16(21)20-17-12-6-3-4-8-14(12)19-15-9-5-7-13(15)17/h3-4,6,8,11,18H,5,7,9-10H2,1-2H3,(H,19,20,21)" ; chebi:inchikey "FJYJIBYKCXJBMW-UHFFFAOYSA-N" ; chebi:mass "283.369" ; chebi:monoisotopicmass "283.16846" ; chebi:smiles "CC(C)NCC(=O)NC1=C2CCCC2=NC3=CC=CC=C31" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104187" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(propan-2-ylamino)acetamide" . obo:CHEBI_104188 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; chebi:charge "0" ; chebi:formula "C25H25N3O2" ; chebi:inchi "InChI=1S/C25H25N3O2/c29-25(18-30-22-10-9-19-5-1-2-6-20(19)15-22)28-13-11-27(12-14-28)17-21-16-26-24-8-4-3-7-23(21)24/h1-10,15-16,26H,11-14,17-18H2" ; chebi:inchikey "KDZXBGISISNCTN-UHFFFAOYSA-N" ; chebi:mass "399.486" ; chebi:monoisotopicmass "399.19468" ; chebi:smiles "C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)COC4=CC5=CC=CC=C5C=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104188" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-(1H-indol-3-ylmethyl)-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone" . obo:CHEBI_104189 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C21H33NO2" ; chebi:inchi "InChI=1S/C21H33NO2/c1-5-8-19-9-10-20(21(14-19)23-4)24-12-7-6-11-22-15-17(2)13-18(3)16-22/h5,8-10,14,17-18H,6-7,11-13,15-16H2,1-4H3" ; chebi:inchikey "XJPDXOUEONEOAM-UHFFFAOYSA-N" ; chebi:mass "331.493" ; chebi:monoisotopicmass "331.25113" ; chebi:smiles "CC=CC1=CC(=C(C=C1)OCCCCN2CC(CC(C2)C)C)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104189" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-3,5-dimethylpiperidine" . obo:CHEBI_10419 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36615 ; chebi:charge "0" ; chebi:formula "C41H66O11" ; chebi:inchi "InChI=1S/C41H66O11/c1-21-28(43)30(45)31(46)33(50-21)52-32-29(44)24(42)20-49-34(32)51-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)/t21-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1" ; chebi:inchikey "IBAJNOZMACNWJD-HVUPOBLPSA-N" ; chebi:mass "734.958" ; chebi:monoisotopicmass "734.46051" ; chebi:smiles "C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10419" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-Hederin" . obo:CHEBI_104190 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C20H25NO2" ; chebi:inchi "InChI=1S/C20H25NO2/c1-2-14-21-15-6-7-16-22-19-10-12-20(13-11-19)23-17-18-8-4-3-5-9-18/h2-5,8-13,21H,1,6-7,14-17H2" ; chebi:inchikey "JAHBWDHQRCNRKB-UHFFFAOYSA-N" ; chebi:mass "311.419" ; chebi:monoisotopicmass "311.18853" ; chebi:smiles "C=CCNCCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104190" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(4-phenylmethoxyphenoxy)-N-prop-2-enyl-1-butanamine" . obo:CHEBI_104191 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C15H14N2O2" ; chebi:inchi "InChI=1S/C15H14N2O2/c1-18-13-7-6-11(9-14(13)19-2)15-16-10-12-5-3-4-8-17(12)15/h3-10H,1-2H3" ; chebi:inchikey "GIEOZVRKDSXXBP-UHFFFAOYSA-N" ; chebi:mass "254.284" ; chebi:monoisotopicmass "254.10553" ; chebi:smiles "COC1=C(C=C(C=C1)C2=NC=C3N2C=CC=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104191" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(3,4-dimethoxyphenyl)imidazo[1,5-a]pyridine" . obo:CHEBI_104192 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C19H22N2O4" ; chebi:inchi "InChI=1S/C19H22N2O4/c1-13(20-12-14-4-3-5-16(10-14)23-2)19(22)21-15-6-7-17-18(11-15)25-9-8-24-17/h3-7,10-11,13,20H,8-9,12H2,1-2H3,(H,21,22)" ; chebi:inchikey "VSSLYQHBQWDGDA-UHFFFAOYSA-N" ; chebi:mass "342.390" ; chebi:monoisotopicmass "342.15796" ; chebi:smiles "CC(C(=O)NC1=CC2=C(C=C1)OCCO2)NCC3=CC(=CC=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104192" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-methoxyphenyl)methylamino]propanamide" . obo:CHEBI_104193 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C17H18BrN3O" ; chebi:inchi "InChI=1S/C17H18BrN3O/c18-16-5-1-3-14(11-16)13-20-7-9-21(10-8-20)17(22)15-4-2-6-19-12-15/h1-6,11-12H,7-10,13H2" ; chebi:inchikey "BMBJRLGGSKOAPR-UHFFFAOYSA-N" ; chebi:mass "360.248" ; chebi:monoisotopicmass "359.06333" ; chebi:smiles "C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)C3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104193" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[4-[(3-bromophenyl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone" . obo:CHEBI_104194 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C17H23NO2" ; chebi:inchi "InChI=1S/C17H23NO2/c1-19-16-10-4-5-11-17(16)20-15-9-8-14-18-12-6-2-3-7-13-18/h4-5,10-11H,2-3,6-7,12-15H2,1H3" ; chebi:inchikey "YWSBLRVYERODQE-UHFFFAOYSA-N" ; chebi:mass "273.371" ; chebi:monoisotopicmass "273.17288" ; chebi:smiles "COC1=CC=CC=C1OCC#CCN2CCCCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104194" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-(2-methoxyphenoxy)but-2-ynyl]azepane" . obo:CHEBI_104195 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48739 ; chebi:charge "0" ; chebi:formula "C22H21FN2O" ; chebi:inchi "InChI=1S/C22H21FN2O/c23-21-11-4-2-7-18(21)16-24-12-14-25(15-13-24)22(26)20-10-5-8-17-6-1-3-9-19(17)20/h1-11H,12-16H2" ; chebi:inchikey "WFQQWXIFGRMRIK-UHFFFAOYSA-N" ; chebi:mass "348.414" ; chebi:monoisotopicmass "348.16379" ; chebi:smiles "C1CN(CCN1CC2=CC=CC=C2F)C(=O)C3=CC=CC4=CC=CC=C43" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104195" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-(1-naphthalenyl)methanone" . obo:CHEBI_104196 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32952 ; chebi:charge "0" ; chebi:formula "C30H36N2O" ; chebi:inchi "InChI=1S/C30H36N2O/c33-30(29-19-22-31(23-20-29)21-10-17-26-11-4-1-5-12-26)32(25-28-15-8-3-9-16-28)24-18-27-13-6-2-7-14-27/h1-9,11-16,29H,10,17-25H2" ; chebi:inchikey "BJEUNDABMRVMTC-UHFFFAOYSA-N" ; chebi:mass "440.621" ; chebi:monoisotopicmass "440.28276" ; chebi:smiles "C1CN(CCC1C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CCCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104196" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2-phenylethyl)-N-(phenylmethyl)-1-(3-phenylpropyl)-4-piperidinecarboxamide" . obo:CHEBI_104197 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48513 ; chebi:charge "0" ; chebi:formula "C21H30N2O" ; chebi:inchi "InChI=1S/C21H30N2O/c1-15-10-11-21-19(12-15)18-8-4-5-9-20(18)23(21)14-17(24)13-22-16-6-2-3-7-16/h10-12,16-17,22,24H,2-9,13-14H2,1H3" ; chebi:inchikey "YHFMRGNKMZMGKL-UHFFFAOYSA-N" ; chebi:mass "326.476" ; chebi:monoisotopicmass "326.23581" ; chebi:smiles "CC1=CC2=C(C=C1)N(C3=C2CCCC3)CC(CNC4CCCC4)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104197" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(cyclopentylamino)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-propanol" . obo:CHEBI_104198 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C24H32N2O2" ; chebi:inchi "InChI=1S/C24H32N2O2/c1-19(2)16-25-24(27)22-12-14-26(15-13-22)17-20-8-10-23(11-9-20)28-18-21-6-4-3-5-7-21/h3-11,19,22H,12-18H2,1-2H3,(H,25,27)" ; chebi:inchikey "DGJHKYICICNUHL-UHFFFAOYSA-N" ; chebi:mass "380.524" ; chebi:monoisotopicmass "380.24638" ; chebi:smiles "CC(C)CNC(=O)C1CCN(CC1)CC2=CC=C(C=C2)OCC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104198" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2-methylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxamide" . obo:CHEBI_104199 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51681 ; chebi:charge "0" ; chebi:formula "C15H22N2O4" ; chebi:inchi "InChI=1S/C15H22N2O4/c1-19-13-9-12(10-14(11-13)20-2)15(18)16-3-4-17-5-7-21-8-6-17/h9-11H,3-8H2,1-2H3,(H,16,18)" ; chebi:inchikey "OGDRJWCPGWAPFN-UHFFFAOYSA-N" ; chebi:mass "294.347" ; chebi:monoisotopicmass "294.15796" ; chebi:smiles "COC1=CC(=CC(=C1)C(=O)NCCN2CCOCC2)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104199" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,5-dimethoxy-N-[2-(4-morpholinyl)ethyl]benzamide" . obo:CHEBI_1042 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27895 ; owl:deprecated true . obo:CHEBI_10420 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_46987 ; owl:deprecated true . obo:CHEBI_104200 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H32N4O4S" ; chebi:inchi "InChI=1S/C23H32N4O4S/c1-3-26(4-2)22-11-10-20(32(29,30)27-12-14-31-15-13-27)16-21(22)25-23(28)18-24-17-19-8-6-5-7-9-19/h5-11,16,24H,3-4,12-15,17-18H2,1-2H3,(H,25,28)" ; chebi:inchikey "TYFHCZDZHOJROC-UHFFFAOYSA-N" ; chebi:mass "460.592" ; chebi:monoisotopicmass "460.21443" ; chebi:smiles "CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNCC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104200" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-(diethylamino)-5-(4-morpholinylsulfonyl)phenyl]-2-[(phenylmethyl)amino]acetamide" . obo:CHEBI_104201 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H22N4O4" ; chebi:inchi "InChI=1S/C21H22N4O4/c1-14-20(21(27)25(24(14)2)16-6-4-3-5-7-16)23-19(26)12-22-11-15-8-9-17-18(10-15)29-13-28-17/h3-10,22H,11-13H2,1-2H3,(H,23,26)" ; chebi:inchikey "HHIHHYXYXHILOT-UHFFFAOYSA-N" ; chebi:mass "394.425" ; chebi:monoisotopicmass "394.16411" ; chebi:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CNCC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104201" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(1,3-benzodioxol-5-ylmethylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide" . obo:CHEBI_104202 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48470 ; chebi:charge "0" ; chebi:formula "C16H17N3O3" ; chebi:inchi "InChI=1S/C16H17N3O3/c1-22-16(21)13-2-4-14(5-3-13)19-15(20)11-18-10-12-6-8-17-9-7-12/h2-9,18H,10-11H2,1H3,(H,19,20)" ; chebi:inchikey "ILEOUAHJEOKIKW-UHFFFAOYSA-N" ; chebi:mass "299.325" ; chebi:monoisotopicmass "299.12699" ; chebi:smiles "COC(=O)C1=CC=C(C=C1)NC(=O)CNCC2=CC=NC=C2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104202" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[[1-oxo-2-(pyridin-4-ylmethylamino)ethyl]amino]benzoic acid methyl ester" . obo:CHEBI_104203 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24828 ; chebi:charge "0" ; chebi:formula "C21H22BrN3O2" ; chebi:inchi "InChI=1S/C21H22BrN3O2/c22-17-5-7-18(8-6-17)27-15-21(26)25-11-9-24(10-12-25)14-16-13-23-20-4-2-1-3-19(16)20/h1-8,13,23H,9-12,14-15H2" ; chebi:inchikey "WRAAMQSIINUQQB-UHFFFAOYSA-N" ; chebi:mass "428.323" ; chebi:monoisotopicmass "427.08954" ; chebi:smiles "C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)COC4=CC=C(C=C4)Br" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104203" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-bromophenoxy)-1-[4-(1H-indol-3-ylmethyl)-1-piperazinyl]ethanone" . obo:CHEBI_104204 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C13H21NO" ; chebi:inchi "InChI=1S/C13H21NO/c1-10-8-11(2)12(3)13(9-10)15-7-5-6-14-4/h8-9,14H,5-7H2,1-4H3" ; chebi:inchikey "VFEHOEAMLKLDHI-UHFFFAOYSA-N" ; chebi:mass "207.312" ; chebi:monoisotopicmass "207.16231" ; chebi:smiles "CC1=CC(=C(C(=C1)OCCCNC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104204" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-methyl-3-(2,3,5-trimethylphenoxy)-1-propanamine" . obo:CHEBI_104205 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C15H25NO2" ; chebi:inchi "InChI=1S/C15H25NO2/c1-4-6-11-16(3)12-13-18-15-10-8-7-9-14(15)17-5-2/h7-10H,4-6,11-13H2,1-3H3" ; chebi:inchikey "OAYLZHOWNGBAPB-UHFFFAOYSA-N" ; chebi:mass "251.365" ; chebi:monoisotopicmass "251.18853" ; chebi:smiles "CCCCN(C)CCOC1=CC=CC=C1OCC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104205" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-1-butanamine" . obo:CHEBI_104206 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38207 ; chebi:charge "0" ; chebi:formula "C24H26N4O2" ; chebi:inchi "InChI=1S/C24H26N4O2/c29-22(17-27-12-14-30-15-13-27)26-23-19-8-4-5-9-21(19)25-24-20(23)10-11-28(24)16-18-6-2-1-3-7-18/h1-9H,10-17H2,(H,25,26,29)" ; chebi:inchikey "VFJKMHBQTJARIE-UHFFFAOYSA-N" ; chebi:mass "402.490" ; chebi:monoisotopicmass "402.20558" ; chebi:smiles "C1CN(C2=NC3=CC=CC=C3C(=C21)NC(=O)CN4CCOCC4)CC5=CC=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104206" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-morpholinyl)-N-[1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide" . obo:CHEBI_104207 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C17H22N2O4" ; chebi:inchi "InChI=1S/C17H22N2O4/c1-11-5-3-4-6-19(11)9-17(21)18-14-8-16-15(22-10-23-16)7-13(14)12(2)20/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,21)" ; chebi:inchikey "LULPXNLMGSBWQQ-UHFFFAOYSA-N" ; chebi:mass "318.368" ; chebi:monoisotopicmass "318.15796" ; chebi:smiles "CC1CCCCN1CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104207" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methyl-1-piperidinyl)acetamide" . obo:CHEBI_104208 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H28ClN3O2" ; chebi:inchi "InChI=1S/C23H28ClN3O2/c1-18(23(28)25-21-17-20(24)10-11-22(21)29-2)27-15-13-26(14-16-27)12-6-9-19-7-4-3-5-8-19/h3-11,17-18H,12-16H2,1-2H3,(H,25,28)" ; chebi:inchikey "AVASCBHTYQRLBW-UHFFFAOYSA-N" ; chebi:mass "413.941" ; chebi:monoisotopicmass "413.18700" ; chebi:smiles "CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)N2CCN(CC2)CC=CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104208" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(5-chloro-2-methoxyphenyl)-2-[4-(3-phenylprop-2-enyl)-1-piperazinyl]propanamide" . obo:CHEBI_104209 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C17H22N2O3" ; chebi:inchi "InChI=1S/C17H22N2O3/c1-3-5-15-6-4-7-16(20-2)17(15)22-13-12-21-11-10-19-9-8-18-14-19/h3-4,6-9,14H,1,5,10-13H2,2H3" ; chebi:inchikey "NVWWGFWYIXBRBJ-UHFFFAOYSA-N" ; chebi:mass "302.369" ; chebi:monoisotopicmass "302.16304" ; chebi:smiles "COC1=CC=CC(=C1OCCOCCN2C=CN=C2)CC=C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104209" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[2-(2-methoxy-6-prop-2-enylphenoxy)ethoxy]ethyl]imidazole" . obo:CHEBI_10421 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15807 ; owl:deprecated true . obo:CHEBI_104210 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C16H16ClFN2O" ; chebi:inchi "InChI=1S/C16H16ClFN2O/c1-11-13(17)6-4-8-15(11)20-16(21)10-19-9-12-5-2-3-7-14(12)18/h2-8,19H,9-10H2,1H3,(H,20,21)" ; chebi:inchikey "PIOKVNOEPYRLPB-UHFFFAOYSA-N" ; chebi:mass "306.763" ; chebi:monoisotopicmass "306.09352" ; chebi:smiles "CC1=C(C=CC=C1Cl)NC(=O)CNCC2=CC=CC=C2F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104210" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(3-chloro-2-methylphenyl)-2-[(2-fluorophenyl)methylamino]acetamide" . obo:CHEBI_104211 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36786 ; chebi:charge "0" ; chebi:formula "C17H18N2O2" ; chebi:inchi "InChI=1S/C17H18N2O2/c20-19(21)15-10-8-13(9-11-15)12-18-17-7-3-5-14-4-1-2-6-16(14)17/h1-2,4,6,8-11,17-18H,3,5,7,12H2" ; chebi:inchikey "SXADGYYMOIHTNA-UHFFFAOYSA-N" ; chebi:mass "282.338" ; chebi:monoisotopicmass "282.13683" ; chebi:smiles "C1CC(C2=CC=CC=C2C1)NCC3=CC=C(C=C3)[N+](=O)[O-]" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104211" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine" . obo:CHEBI_104212 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51681 ; chebi:charge "0" ; chebi:formula "C18H21N3O2S2" ; chebi:inchi "InChI=1S/C18H21N3O2S2/c1-11-17(25-12(2)20-11)14-10-24-18(21-14)19-8-7-13-5-6-15(22-3)16(9-13)23-4/h5-6,9-10H,7-8H2,1-4H3,(H,19,21)" ; chebi:inchikey "VQYVCSPBERHZRU-UHFFFAOYSA-N" ; chebi:mass "375.511" ; chebi:monoisotopicmass "375.10752" ; chebi:smiles "CC1=C(SC(=N1)C)C2=CSC(=N2)NCCC3=CC(=C(C=C3)OC)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104212" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,4-dimethyl-5-thiazolyl)-2-thiazolamine" . obo:CHEBI_104213 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C19H25N3O2" ; chebi:inchi "InChI=1S/C19H25N3O2/c1-15-17(23-2)8-7-16(19(15)24-3)14-21-10-12-22(13-11-21)18-6-4-5-9-20-18/h4-9H,10-14H2,1-3H3" ; chebi:inchikey "YQJNGUIVACYDCQ-UHFFFAOYSA-N" ; chebi:mass "327.421" ; chebi:monoisotopicmass "327.19468" ; chebi:smiles "CC1=C(C=CC(=C1OC)CN2CCN(CC2)C3=CC=CC=N3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104213" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-pyridinyl)piperazine" . obo:CHEBI_104214 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C13H18ClNO" ; chebi:inchi "InChI=1S/C13H18ClNO/c1-11-5-4-6-12(14)13(11)16-10-9-15-7-2-3-8-15/h4-6H,2-3,7-10H2,1H3" ; chebi:inchikey "VKIYIHWONRLGDU-UHFFFAOYSA-N" ; chebi:mass "239.742" ; chebi:monoisotopicmass "239.10769" ; chebi:smiles "CC1=C(C(=CC=C1)Cl)OCCN2CCCC2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104214" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine" . obo:CHEBI_104215 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C23H30N2O3" ; chebi:inchi "InChI=1S/C23H30N2O3/c1-18(26)15-24-23(27)21-11-13-25(14-12-21)16-19-7-9-22(10-8-19)28-17-20-5-3-2-4-6-20/h2-10,18,21,26H,11-17H2,1H3,(H,24,27)" ; chebi:inchikey "PZMYTSMOBROBFO-UHFFFAOYSA-N" ; chebi:mass "382.497" ; chebi:monoisotopicmass "382.22564" ; chebi:smiles "CC(CNC(=O)C1CCN(CC1)CC2=CC=C(C=C2)OCC3=CC=CC=C3)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104215" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2-hydroxypropyl)-1-[(4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxamide" . obo:CHEBI_104216 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47804 ; chebi:charge "0" ; chebi:formula "C25H25N3O3" ; chebi:inchi "InChI=1S/C25H25N3O3/c29-24(18-26-13-15-27(16-14-26)25(30)23-10-5-17-31-23)28-21-8-3-1-6-19(21)11-12-20-7-2-4-9-22(20)28/h1-10,17H,11-16,18H2" ; chebi:inchikey "YBLOACJHCBCWET-UHFFFAOYSA-N" ; chebi:mass "415.485" ; chebi:monoisotopicmass "415.18959" ; chebi:smiles "C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CN4CCN(CC4)C(=O)C5=CC=CO5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104216" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]ethanone" . obo:CHEBI_104217 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H31FN4O4S" ; chebi:inchi "InChI=1S/C24H31FN4O4S/c1-18-10-11-21(15-22(18)34(32,33)29-12-5-3-4-6-13-29)27-24(31)17-28(2)16-23(30)26-20-9-7-8-19(25)14-20/h7-11,14-15H,3-6,12-13,16-17H2,1-2H3,(H,26,30)(H,27,31)" ; chebi:inchikey "GQZRGBIEEIXVGI-UHFFFAOYSA-N" ; chebi:mass "490.593" ; chebi:monoisotopicmass "490.20500" ; chebi:smiles "CC1=C(C=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC(=CC=C2)F)S(=O)(=O)N3CCCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104217" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide" . obo:CHEBI_104218 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C20H26N2O2" ; chebi:inchi "InChI=1S/C20H26N2O2/c1-2-6-18(7-3-1)19-8-4-5-9-20(19)24-17-16-23-15-14-22-12-10-21-11-13-22/h1-9,21H,10-17H2" ; chebi:inchikey "GOGRYXZITYMYQP-UHFFFAOYSA-N" ; chebi:mass "326.433" ; chebi:monoisotopicmass "326.19943" ; chebi:smiles "C1CN(CCN1)CCOCCOC2=CC=CC=C2C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104218" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine" . obo:CHEBI_104219 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C17H23NO3" ; chebi:inchi "InChI=1S/C17H23NO3/c1-3-6-12-16(15-8-5-10-21-15)18-13(11-17(12,2)19)14-7-4-9-20-14/h4-5,7-10,12-13,16,18-19H,3,6,11H2,1-2H3" ; chebi:inchikey "KRWCRLSHEPHBQC-UHFFFAOYSA-N" ; chebi:mass "289.370" ; chebi:monoisotopicmass "289.16779" ; chebi:smiles "CCCC1C(NC(CC1(C)O)C2=CC=CO2)C3=CC=CO3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104219" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,6-bis(2-furanyl)-4-methyl-3-propyl-4-piperidinol" . obo:CHEBI_10422 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28079 ; owl:deprecated true . obo:CHEBI_104220 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48513 ; chebi:charge "0" ; chebi:formula "C21H25N3O2" ; chebi:inchi "InChI=1S/C21H25N3O2/c1-2-24-19-8-4-3-7-17(19)18-12-15(9-10-20(18)24)23-21(25)14-22-13-16-6-5-11-26-16/h3-4,7-10,12,16,22H,2,5-6,11,13-14H2,1H3,(H,23,25)" ; chebi:inchikey "WEQMXWTVSYUUSB-UHFFFAOYSA-N" ; chebi:mass "351.443" ; chebi:monoisotopicmass "351.19468" ; chebi:smiles "CCN1C2=C(C=C(C=C2)NC(=O)CNCC3CCCO3)C4=CC=CC=C41" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104220" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(9-ethyl-3-carbazolyl)-2-(2-oxolanylmethylamino)acetamide" . obo:CHEBI_104221 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C25H32N2O2" ; chebi:inchi "InChI=1S/C25H32N2O2/c1-20-7-13-24(14-8-20)29-19-25(28)27-17-15-26(16-18-27)23-11-9-22(10-12-23)21-5-3-2-4-6-21/h2-8,13-14,22-23H,9-12,15-19H2,1H3" ; chebi:inchikey "NXGTTWZHODGUFY-UHFFFAOYSA-N" ; chebi:mass "392.535" ; chebi:monoisotopicmass "392.24638" ; chebi:smiles "CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104221" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-methylphenoxy)-1-[4-(4-phenylcyclohexyl)-1-piperazinyl]ethanone" . obo:CHEBI_104222 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C13H21N5O" ; chebi:inchi "InChI=1S/C13H21N5O/c1-11(2)16-12(19)10-17-6-8-18(9-7-17)13-14-4-3-5-15-13/h3-5,11H,6-10H2,1-2H3,(H,16,19)" ; chebi:inchikey "BMCZMJZSTABISE-UHFFFAOYSA-N" ; chebi:mass "263.339" ; chebi:monoisotopicmass "263.17461" ; chebi:smiles "CC(C)NC(=O)CN1CCN(CC1)C2=NC=CC=N2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104222" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-propan-2-yl-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide" . obo:CHEBI_104223 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51681 ; chebi:charge "0" ; chebi:formula "C17H22N2O2" ; chebi:inchi "InChI=1S/C17H22N2O2/c1-19(11-9-15-6-4-5-10-18-15)13-14-7-8-16(20-2)17(12-14)21-3/h4-8,10,12H,9,11,13H2,1-3H3" ; chebi:inchikey "JHKSCNYRZDUCHF-UHFFFAOYSA-N" ; chebi:mass "286.369" ; chebi:monoisotopicmass "286.16813" ; chebi:smiles "CN(CCC1=CC=CC=N1)CC2=CC(=C(C=C2)OC)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104223" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-pyridinyl)ethanamine" . obo:CHEBI_104224 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26961 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C15H17N3OS" ; chebi:inchi "InChI=1S/C15H17N3OS/c19-15(14-5-3-11-20-14)18-9-7-17(8-10-18)12-13-4-1-2-6-16-13/h1-6,11H,7-10,12H2" ; chebi:inchikey "QOYYOLSPRGBPJY-UHFFFAOYSA-N" ; chebi:mass "287.382" ; chebi:monoisotopicmass "287.10923" ; chebi:smiles "C1CN(CCN1CC2=CC=CC=N2)C(=O)C3=CC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104224" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[4-(2-pyridinylmethyl)-1-piperazinyl]-thiophen-2-ylmethanone" . obo:CHEBI_104225 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C21H23N3O4" ; chebi:inchi "InChI=1S/C21H23N3O4/c25-24(26)19-14-21-20(27-16-28-21)13-18(19)15-23-11-9-22(10-12-23)8-4-7-17-5-2-1-3-6-17/h1-7,13-14H,8-12,15-16H2" ; chebi:inchikey "WYZVGISWGRQHQB-UHFFFAOYSA-N" ; chebi:mass "381.426" ; chebi:monoisotopicmass "381.16886" ; chebi:smiles "C1CN(CCN1CC=CC2=CC=CC=C2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104225" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-(3-phenylprop-2-enyl)piperazine" . obo:CHEBI_104226 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C23H34N2O" ; chebi:inchi "InChI=1S/C23H34N2O/c26-23(24-16-15-19-9-7-8-10-20(19)17-24)18-25(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h7-10,21-22H,1-6,11-18H2" ; chebi:inchikey "YJGMGNKJGNMJOH-UHFFFAOYSA-N" ; chebi:mass "354.530" ; chebi:monoisotopicmass "354.26711" ; chebi:smiles "C1CCC(CC1)N(CC(=O)N2CCC3=CC=CC=C3C2)C4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104226" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(dicyclohexylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_104227 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35727 ; chebi:charge "0" ; chebi:formula "C19H22ClN5S" ; chebi:inchi "InChI=1S/C19H22ClN5S/c1-24(2)12-3-13-25-18(16-8-10-21-11-9-16)22-23-19(25)26-14-15-4-6-17(20)7-5-15/h4-11H,3,12-14H2,1-2H3" ; chebi:inchikey "GURJGBCZYNRYAO-UHFFFAOYSA-N" ; chebi:mass "387.931" ; chebi:monoisotopicmass "387.12844" ; chebi:smiles "CN(C)CCCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104227" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[3-[(4-chlorophenyl)methylthio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]-N,N-dimethyl-1-propanamine" . obo:CHEBI_104228 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; rdfs:subClassOf obo:CHEBI_33552 ; chebi:charge "0" ; chebi:formula "C23H24N2O2S" ; chebi:inchi "InChI=1S/C23H24N2O2S/c26-28(27,23-10-9-18-5-1-2-8-21(18)17-23)25-13-11-24(12-14-25)22-15-19-6-3-4-7-20(19)16-22/h1-10,17,22H,11-16H2" ; chebi:inchikey "QPDXRWKGXCXUSS-UHFFFAOYSA-N" ; chebi:mass "392.516" ; chebi:monoisotopicmass "392.15585" ; chebi:smiles "C1CN(CCN1C2CC3=CC=CC=C3C2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104228" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,3-dihydro-1H-inden-2-yl)-4-(2-naphthalenylsulfonyl)piperazine" . obo:CHEBI_104229 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35727 ; chebi:charge "0" ; chebi:formula "C23H27N7OS2" ; chebi:inchi "InChI=1S/C23H27N7OS2/c1-29(2)12-5-13-30-21(16-8-10-25-11-9-16)27-28-23(30)32-15-20(31)26-22-18(14-24)17-6-3-4-7-19(17)33-22/h8-11H,3-7,12-13,15H2,1-2H3,(H,26,31)" ; chebi:inchikey "DCGPPJLNPOAXJR-UHFFFAOYSA-N" ; chebi:mass "481.640" ; chebi:monoisotopicmass "481.17185" ; chebi:smiles "CN(C)CCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104229" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-[3-(dimethylamino)propyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide" . obo:CHEBI_10423 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_63347 ; chebi:charge "0" ; chebi:formula "C7H14O4" ; chebi:inchi "InChI=1S/C7H14O4/c1-5(9)7(10)6(11-2)3-4-8/h4-7,9-10H,3H2,1-2H3/t5-,6-,7-/m0/s1" ; chebi:inchikey "GOYBREOSJSERKM-ACZMJKKPSA-N" ; chebi:mass "162.18366" ; chebi:monoisotopicmass "162.08921" ; chebi:smiles "[H]C([H])(C=O)[C@]([H])(OC)[C@@]([H])(O)[C@]([H])(C)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10423" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "oleandrose" . obo:CHEBI_104230 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; rdfs:subClassOf obo:CHEBI_35716 ; chebi:charge "0" ; chebi:formula "C12H12N4O4S" ; chebi:inchi "InChI=1S/C12H12N4O4S/c1-20-10-6-8(16(18)19)2-3-9(10)14-11(17)7-15-4-5-21-12(15)13/h2-6,13H,7H2,1H3,(H,14,17)" ; chebi:inchikey "ALPZBOMVALHVNJ-UHFFFAOYSA-N" ; chebi:mass "308.315" ; chebi:monoisotopicmass "308.05793" ; chebi:smiles "COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2C=CSC2=N" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104230" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(2-imino-3-thiazolyl)-N-(2-methoxy-4-nitrophenyl)acetamide" . obo:CHEBI_104231 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C23H32N2O3S" ; chebi:inchi "InChI=1S/C23H32N2O3S/c1-18-5-8-20(9-6-18)29-16-15-24-11-13-25(14-12-24)17-19-7-10-21(26-2)23(28-4)22(19)27-3/h5-10H,11-17H2,1-4H3" ; chebi:inchikey "MAXODDXKVCZCAU-UHFFFAOYSA-N" ; chebi:mass "416.579" ; chebi:monoisotopicmass "416.21336" ; chebi:smiles "CC1=CC=C(C=C1)SCCN2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104231" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(4-methylphenyl)thio]ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine" . obo:CHEBI_104232 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C17H25N3O" ; chebi:inchi "InChI=1S/C17H25N3O/c21-17(20-10-2-1-3-11-20)16-7-5-9-19(14-16)13-15-6-4-8-18-12-15/h4,6,8,12,16H,1-3,5,7,9-11,13-14H2" ; chebi:inchikey "UCTQQTQLEJOYLT-UHFFFAOYSA-N" ; chebi:mass "287.401" ; chebi:monoisotopicmass "287.19976" ; chebi:smiles "C1CCN(CC1)C(=O)C2CCCN(C2)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104232" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-piperidinyl-[1-(3-pyridinylmethyl)-3-piperidinyl]methanone" . obo:CHEBI_104233 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C18H19ClFN3O2" ; chebi:inchi "InChI=1S/C18H19ClFN3O2/c1-12-3-5-13(6-4-12)21-17(24)10-23(2)11-18(25)22-14-7-8-16(20)15(19)9-14/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)" ; chebi:inchikey "LKENTIOOFDTILV-UHFFFAOYSA-N" ; chebi:mass "363.814" ; chebi:monoisotopicmass "363.11498" ; chebi:smiles "CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC(=C(C=C2)F)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104233" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide" . obo:CHEBI_104234 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26776 ; chebi:charge "0" ; chebi:formula "C19H23N" ; chebi:inchi "InChI=1S/C19H23N/c1-4-10-17(11-5-1)16-19(18-12-6-2-7-13-18)20-14-8-3-9-15-20/h1-2,4-7,10-13,19H,3,8-9,14-16H2" ; chebi:inchikey "JQWJJJYHVHNXJH-UHFFFAOYSA-N" ; chebi:mass "265.393" ; chebi:monoisotopicmass "265.18305" ; chebi:smiles "C1CCN(CC1)C(CC2=CC=CC=C2)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104234" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,2-diphenylethyl)piperidine" . obo:CHEBI_104235 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25384 ; chebi:charge "0" ; chebi:formula "C18H24ClNO3" ; chebi:inchi "InChI=1S/C18H24ClNO3/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3" ; chebi:inchikey "WTPAXDRULIZRDJ-UHFFFAOYSA-N" ; chebi:mass "337.842" ; chebi:monoisotopicmass "337.14447" ; chebi:smiles "CCC(C(=O)OC1CC2CCC(C1)N2C)OC3=CC=C(C=C3)Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104235" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-chlorophenoxy)butanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester" . obo:CHEBI_104236 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36786 ; chebi:charge "0" ; chebi:formula "C18H29NO" ; chebi:inchi "InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3" ; chebi:inchikey "BTOJYCTUJJHANF-UHFFFAOYSA-N" ; chebi:mass "275.430" ; chebi:monoisotopicmass "275.22491" ; chebi:smiles "CCCN(CCC)C1CCC2=C(C1C)C=CC=C2OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104236" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine" . obo:CHEBI_104237 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C21H27N" ; chebi:inchi "InChI=1S/C21H27N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,21H,7-8,11,14-18H2" ; chebi:inchikey "HQGDPZPNAXRCSA-UHFFFAOYSA-N" ; chebi:mass "293.447" ; chebi:monoisotopicmass "293.21435" ; chebi:smiles "C1CN(CCC1C2=CC=CC=C2)CCCCC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104237" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-phenyl-1-(4-phenylbutyl)piperidine" . obo:CHEBI_104238 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "+1" ; chebi:formula "C18H18ClN2S" ; chebi:inchi "InChI=1S/C18H18ClN2S/c1-3-21-16-13-14(19)9-10-17(16)22-18(21)11-12-20(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/q+1" ; chebi:inchikey "HKYKXCKMZXXLBR-UHFFFAOYSA-N" ; chebi:mass "329.869" ; chebi:monoisotopicmass "329.08737" ; chebi:smiles "CC[N+]1=C(SC2=C1C=C(C=C2)Cl)C=CN(C)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104238" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-methylaniline" . obo:CHEBI_104239 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "+1" ; chebi:formula "C28H35N2O3" ; chebi:inchi "InChI=1S/C28H35N2O3/c1-4-32-26-10-6-23(7-11-26)25-20-22(3)30(15-14-29-16-18-31-19-17-29)28(21-25)24-8-12-27(13-9-24)33-5-2/h6-13,20-21H,4-5,14-19H2,1-3H3/q+1" ; chebi:inchikey "XITSNPPPOFRDTN-UHFFFAOYSA-N" ; chebi:mass "447.590" ; chebi:monoisotopicmass "447.26422" ; chebi:smiles "CCOC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C)CCN3CCOCC3)C4=CC=C(C=C4)OCC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104239" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[2-[2,4-bis(4-ethoxyphenyl)-6-methyl-1-pyridin-1-iumyl]ethyl]morpholine" . obo:CHEBI_10424 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27586 ; owl:deprecated true . obo:CHEBI_104240 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "+1" ; chebi:formula "C28H37N2O2" ; chebi:inchi "InChI=1S/C28H37N2O2/c1-6-29(7-2)18-19-30-22(5)20-25(23-10-14-26(15-11-23)31-8-3)21-28(30)24-12-16-27(17-13-24)32-9-4/h10-17,20-21H,6-9,18-19H2,1-5H3/q+1" ; chebi:inchikey "TXSMRDKQYDZAOK-UHFFFAOYSA-N" ; chebi:mass "433.607" ; chebi:monoisotopicmass "433.28495" ; chebi:smiles "CCN(CC)CC[N+]1=C(C=C(C=C1C)C2=CC=C(C=C2)OCC)C3=CC=C(C=C3)OCC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104240" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[2,4-bis(4-ethoxyphenyl)-6-methyl-1-pyridin-1-iumyl]-N,N-diethylethanamine" . obo:CHEBI_104241 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C18H16N4O2" ; chebi:inchi "InChI=1S/C18H16N4O2/c1-13(20-21-16-6-2-15(3-7-16)18(23)24)14-4-8-17(9-5-14)22-11-10-19-12-22/h2-12,21H,1H3,(H,23,24)" ; chebi:inchikey "WEMUNNMUGUQEJO-UHFFFAOYSA-N" ; chebi:mass "320.346" ; chebi:monoisotopicmass "320.12733" ; chebi:smiles "CC(=NNC1=CC=C(C=C1)C(=O)O)C2=CC=C(C=C2)N3C=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104241" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[2-[1-[4-(1-imidazolyl)phenyl]ethylidene]hydrazinyl]benzoic acid" . obo:CHEBI_104242 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_27288 ; chebi:charge "0" ; chebi:formula "C46H56N4O10" ; chebi:inchi "InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43+,44-,45+,46+/m1/s1" ; chebi:inchikey "OGWKCGZFUXNPDA-YPKBQUEXSA-N" ; chebi:mass "824.959" ; chebi:monoisotopicmass "824.39964" ; chebi:smiles "CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104242" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15607" . obo:CHEBI_104243 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37332 ; chebi:charge "0" ; chebi:formula "C17H23NO3" ; chebi:inchi "InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3" ; chebi:inchikey "RKUNBYITZUJHSG-UHFFFAOYSA-N" ; chebi:mass "289.370" ; chebi:monoisotopicmass "289.16779" ; chebi:smiles "CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104243" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-hydroxy-2-phenylpropanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester" . obo:CHEBI_104244 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23849 ; chebi:charge "0" ; chebi:formula "C20H31N" ; chebi:inchi "InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18?,19-,20+/m0/s1" ; chebi:inchikey "JVVXZOOGOGPDRZ-NRRUETGQSA-N" ; chebi:mass "285.468" ; chebi:monoisotopicmass "285.24565" ; chebi:smiles "CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@](C3CC2)(C)CN)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104244" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine" . obo:CHEBI_104245 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H38N6O4" ; chebi:inchi "InChI=1S/C26H38N6O4/c1-17(2)29-26(34)30-21-7-8-23-22(9-21)25(33)31(5)14-24(35-6)18(3)12-32(19(4)15-36-23)13-20-10-27-16-28-11-20/h7-11,16-19,24H,12-15H2,1-6H3,(H2,29,30,34)/t18-,19-,24+/m1/s1" ; chebi:inchikey "DRUGZYWRQAVALM-IECBHUPTSA-N" ; chebi:mass "498.619" ; chebi:monoisotopicmass "498.29545" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CN=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104245" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104246 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O4" ; chebi:inchi "InChI=1S/C25H34N4O4/c1-17-13-29(14-20-7-6-10-26-12-20)18(2)16-33-23-9-8-21(27-19(3)30)11-22(23)25(31)28(4)15-24(17)32-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,27,30)/t17-,18+,24+/m0/s1" ; chebi:inchikey "POIAECOHAGPJOS-HOOSLVGPSA-N" ; chebi:mass "454.563" ; chebi:monoisotopicmass "454.25801" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104246" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104247 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-12-18(27-24(30)19-8-6-7-9-21(19)26)10-11-20(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17+,23+/m0/s1" ; chebi:inchikey "FSOYZNCORKLRQF-YGKZAACZSA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104247" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104248 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H41N3O5" ; chebi:inchi "InChI=1S/C26H41N3O5/c1-6-25(30)27-21-7-8-23-22(13-21)26(31)28(4)16-24(32-5)18(2)14-29(19(3)17-34-23)15-20-9-11-33-12-10-20/h7-8,13,18-20,24H,6,9-12,14-17H2,1-5H3,(H,27,30)/t18-,19-,24-/m0/s1" ; chebi:inchikey "WMGIIIYIYFXVGX-JXQFQVJHSA-N" ; chebi:mass "475.622" ; chebi:monoisotopicmass "475.30462" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3CCOCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104248" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104249 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H33N5O5S" ; chebi:inchi "InChI=1S/C22H33N5O5S/c1-15-10-26(4)16(2)13-32-19-8-7-17(24-33(29,30)21-12-25(3)14-23-21)9-18(19)22(28)27(5)11-20(15)31-6/h7-9,12,14-16,20,24H,10-11,13H2,1-6H3/t15-,16-,20+/m0/s1" ; chebi:inchikey "SSHPSTSVPAJXGJ-TWOQFEAHSA-N" ; chebi:mass "479.595" ; chebi:monoisotopicmass "479.22024" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104249" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_10425 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27426 ; owl:deprecated true . obo:CHEBI_104250 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-12-18(27-24(30)19-8-6-7-9-21(19)26)10-11-20(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17+,23-/m1/s1" ; chebi:inchikey "FSOYZNCORKLRQF-SAHWJRBASA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104250" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104251 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H32F3N3O5" ; chebi:inchi "InChI=1S/C23H32F3N3O5/c1-6-21(31)29-11-14(2)19(33-5)12-28(4)22(32)17-8-7-16(9-18(17)34-13-15(29)3)27-20(30)10-23(24,25)26/h7-9,14-15,19H,6,10-13H2,1-5H3,(H,27,30)/t14-,15-,19+/m0/s1" ; chebi:inchikey "ZGVLQFKGWSMLFX-YZVOILCLSA-N" ; chebi:mass "487.513" ; chebi:monoisotopicmass "487.22941" ; chebi:smiles "CCC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)CC(F)(F)F)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104251" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,3,3-trifluoro-N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104252 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O6" ; chebi:inchi "InChI=1S/C25H34N4O6/c1-7-23(30)29-12-15(2)22(33-6)13-28(5)25(32)19-9-8-18(11-21(19)34-14-16(29)3)26-24(31)20-10-17(4)35-27-20/h8-11,15-16,22H,7,12-14H2,1-6H3,(H,26,31)/t15-,16+,22+/m0/s1" ; chebi:inchikey "ILZDYFIBDLQWDD-WJONJSRFSA-N" ; chebi:mass "486.562" ; chebi:monoisotopicmass "486.24783" ; chebi:smiles "CCC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104252" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_104253 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-17-13-30(24(31)15-28(3)4)18(2)16-35-22-12-20(27-25(32)19-8-7-9-19)10-11-21(22)26(33)29(5)14-23(17)34-6/h10-12,17-19,23H,7-9,13-16H2,1-6H3,(H,27,32)/t17-,18+,23-/m1/s1" ; chebi:inchikey "OGUHNRNBJHRPNW-IEGUWTFLSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104253" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_104254 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H35N3O5S" ; chebi:inchi "InChI=1S/C21H35N3O5S/c1-7-10-24-12-15(2)20(28-5)13-23(4)21(25)18-11-17(22-30(6,26)27)8-9-19(18)29-14-16(24)3/h8-9,11,15-16,20,22H,7,10,12-14H2,1-6H3/t15-,16+,20+/m1/s1" ; chebi:inchikey "GJWLNKOJEVXCCA-GUXCAODWSA-N" ; chebi:mass "441.587" ; chebi:monoisotopicmass "441.22974" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104254" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104255 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H39N3O4" ; chebi:inchi "InChI=1S/C25H39N3O4/c1-6-12-28-14-17(2)23(31-5)15-27(4)25(30)21-13-20(26-24(29)19-8-7-9-19)10-11-22(21)32-16-18(28)3/h10-11,13,17-19,23H,6-9,12,14-16H2,1-5H3,(H,26,29)/t17-,18+,23-/m1/s1" ; chebi:inchikey "JELNQRUVVFGWSZ-IEGUWTFLSA-N" ; chebi:mass "445.596" ; chebi:monoisotopicmass "445.29406" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CCC3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104255" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_104256 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35FN4O5" ; chebi:inchi "InChI=1S/C28H35FN4O5/c1-17-14-33(26(34)19-8-9-19)18(2)16-38-24-11-10-22(13-23(24)27(35)32(3)15-25(17)37-4)31-28(36)30-21-7-5-6-20(29)12-21/h5-7,10-13,17-19,25H,8-9,14-16H2,1-4H3,(H2,30,31,36)/t17-,18-,25-/m0/s1" ; chebi:inchikey "UCDDDGMWGBQWAH-RPPIVITFSA-N" ; chebi:mass "526.601" ; chebi:monoisotopicmass "526.25915" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104256" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_104257 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H39N3O6" ; chebi:inchi "InChI=1S/C26H39N3O6/c1-17-13-29(25(31)19-8-6-7-9-19)18(2)15-35-22-12-20(27-24(30)16-33-4)10-11-21(22)26(32)28(3)14-23(17)34-5/h10-12,17-19,23H,6-9,13-16H2,1-5H3,(H,27,30)/t17-,18-,23+/m0/s1" ; chebi:inchikey "ODEBYALMHVNZLV-IUKKYPGJSA-N" ; chebi:mass "489.605" ; chebi:monoisotopicmass "489.28389" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104257" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-[cyclopentyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_104258 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-15(2)28-23(33)29-18-7-8-20-19(11-18)22(32)30(5)13-21(34-6)16(3)12-31(17(4)14-35-20)10-9-24(25,26)27/h7-8,11,15-17,21H,9-10,12-14H2,1-6H3,(H2,28,29,33)/t16-,17-,21+/m1/s1" ; chebi:inchikey "LWXKGGIJWSHZGV-LZJOCLMNSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104258" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104259 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-7-8-24-23(14-22)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-21-9-12-28-13-10-21/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20-,25+/m1/s1" ; chebi:inchikey "DCHCVUMEJAAHBI-FHAGJXEFSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104259" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_10426 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_35627 ; owl:deprecated true . obo:CHEBI_104260 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-7-8-24-23(14-22)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-21-9-12-28-13-10-21/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25+/m1/s1" ; chebi:inchikey "DCHCVUMEJAAHBI-RNHFSVANSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104260" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104261 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O5" ; chebi:inchi "InChI=1S/C24H37N3O5/c1-16-13-26(3)17(2)15-32-21-12-19(25-23(28)18-8-10-31-11-9-18)6-7-20(21)24(29)27(4)14-22(16)30-5/h6-7,12,16-18,22H,8-11,13-15H2,1-5H3,(H,25,28)/t16-,17+,22-/m0/s1" ; chebi:inchikey "TVGROYRLGTWDMS-JKSBSHDWSA-N" ; chebi:mass "447.569" ; chebi:monoisotopicmass "447.27332" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104261" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_104262 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-12-18(27-24(30)19-8-6-7-9-21(19)26)10-11-20(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17+,23+/m1/s1" ; chebi:inchikey "FSOYZNCORKLRQF-DGGJZMOXSA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104262" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104263 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H33N3O8S" ; chebi:inchi "InChI=1S/C26H33N3O8S/c1-16-12-29(25(30)18-6-9-21-23(10-18)37-15-36-21)17(2)14-35-22-11-19(27-38(5,32)33)7-8-20(22)26(31)28(3)13-24(16)34-4/h6-11,16-17,24,27H,12-15H2,1-5H3/t16-,17+,24+/m0/s1" ; chebi:inchikey "JZGYUICVYOVPMO-OBWXTZQISA-N" ; chebi:mass "547.623" ; chebi:monoisotopicmass "547.19884" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104263" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104264 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H38N4O5" ; chebi:inchi "InChI=1S/C28H38N4O5/c1-6-9-26(33)30-22-11-12-24-23(14-22)28(35)31(4)17-25(36-5)19(2)16-32(20(3)18-37-24)27(34)15-21-10-7-8-13-29-21/h7-8,10-14,19-20,25H,6,9,15-18H2,1-5H3,(H,30,33)/t19-,20-,25-/m1/s1" ; chebi:inchikey "MKBXFNPKCUJSKG-UMEGOILYSA-N" ; chebi:mass "510.626" ; chebi:monoisotopicmass "510.28422" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104264" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(2-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_104265 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H36N4O6S" ; chebi:inchi "InChI=1S/C22H36N4O6S/c1-14(2)23-22(28)26-11-15(3)20(31-6)12-25(5)21(27)18-10-17(24-33(7,29)30)8-9-19(18)32-13-16(26)4/h8-10,14-16,20,24H,11-13H2,1-7H3,(H,23,28)/t15-,16+,20-/m1/s1" ; chebi:inchikey "VUTYSYZKXJFCMD-GQIGUUNPSA-N" ; chebi:mass "484.611" ; chebi:monoisotopicmass "484.23556" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104265" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7R,8S)-14-(methanesulfonamido)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_104266 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H41N3O5" ; chebi:inchi "InChI=1S/C26H41N3O5/c1-6-25(30)27-21-7-8-23-22(13-21)26(31)28(4)16-24(32-5)18(2)14-29(19(3)17-34-23)15-20-9-11-33-12-10-20/h7-8,13,18-20,24H,6,9-12,14-17H2,1-5H3,(H,27,30)/t18-,19+,24-/m0/s1" ; chebi:inchikey "WMGIIIYIYFXVGX-GLDPYIMESA-N" ; chebi:mass "475.622" ; chebi:monoisotopicmass "475.30462" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3CCOCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104266" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104267 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37ClN6O6" ; chebi:inchi "InChI=1S/C30H37ClN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-12-11-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-21(31)8-10-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18+,26-/m1/s1" ; chebi:inchikey "CNFQIZJMIVHXMW-FIAZIHOUSA-N" ; chebi:mass "613.105" ; chebi:monoisotopicmass "612.24631" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104267" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7R,8S)-14-[[(4-chloroanilino)-oxomethyl]amino]-N-(3,5-dimethyl-4-isoxazolyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_104268 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H38N6O4" ; chebi:inchi "InChI=1S/C26H38N6O4/c1-17(2)29-26(34)30-21-7-8-23-22(9-21)25(33)31(5)14-24(35-6)18(3)12-32(19(4)15-36-23)13-20-10-27-16-28-11-20/h7-11,16-19,24H,12-15H2,1-6H3,(H2,29,30,34)/t18-,19+,24-/m0/s1" ; chebi:inchikey "DRUGZYWRQAVALM-GLDPYIMESA-N" ; chebi:mass "498.619" ; chebi:monoisotopicmass "498.29545" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CN=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104268" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104269 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37FN4O4" ; chebi:inchi "InChI=1S/C27H37FN4O4/c1-6-12-32-15-18(2)25(35-5)16-31(4)26(33)23-14-22(10-11-24(23)36-17-19(32)3)30-27(34)29-21-9-7-8-20(28)13-21/h7-11,13-14,18-19,25H,6,12,15-17H2,1-5H3,(H2,29,30,34)/t18-,19+,25-/m1/s1" ; chebi:inchikey "ACQKEKFFNOLIKU-HHJKRLRDSA-N" ; chebi:mass "500.607" ; chebi:monoisotopicmass "500.27988" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104269" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_10427 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27933 ; owl:deprecated true . obo:CHEBI_104270 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30Cl2N4O4" ; chebi:inchi "InChI=1S/C24H30Cl2N4O4/c1-14-11-27-15(2)13-34-21-8-6-16(9-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-17-5-7-19(25)20(26)10-17/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15+,22-/m0/s1" ; chebi:inchikey "LHXFIZLNBSIVPU-KIMHZCHSSA-N" ; chebi:mass "509.426" ; chebi:monoisotopicmass "508.16441" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104270" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,4-dichlorophenyl)-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104271 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37FN4O4" ; chebi:inchi "InChI=1S/C27H37FN4O4/c1-6-12-32-15-18(2)25(35-5)16-31(4)26(33)23-14-22(10-11-24(23)36-17-19(32)3)30-27(34)29-21-9-7-8-20(28)13-21/h7-11,13-14,18-19,25H,6,12,15-17H2,1-5H3,(H2,29,30,34)/t18-,19-,25+/m0/s1" ; chebi:inchikey "ACQKEKFFNOLIKU-XHNVNVPESA-N" ; chebi:mass "500.607" ; chebi:monoisotopicmass "500.27988" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104271" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104272 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-26(31)28-22-12-13-23-24(14-22)34-18-20(3)30(16-21-10-8-7-9-11-21)15-19(2)25(33-5)17-29(4)27(23)32/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20-,25+/m1/s1" ; chebi:inchikey "YJDVPIUPODSEFW-FHAGJXEFSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CC3CCCCC3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104272" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104273 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H34N4O4" ; chebi:inchi "InChI=1S/C21H34N4O4/c1-13(2)23-21(27)24-16-7-8-18-17(9-16)20(26)25(5)11-19(28-6)14(3)10-22-15(4)12-29-18/h7-9,13-15,19,22H,10-12H2,1-6H3,(H2,23,24,27)/t14-,15+,19+/m1/s1" ; chebi:inchikey "PXLHMJKVTIIEQJ-VCBZYWHSSA-N" ; chebi:mass "406.520" ; chebi:monoisotopicmass "406.25801" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104273" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104274 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-17-13-30(24(31)15-28(3)4)18(2)16-35-22-12-20(27-25(32)19-8-7-9-19)10-11-21(22)26(33)29(5)14-23(17)34-6/h10-12,17-19,23H,7-9,13-16H2,1-6H3,(H,27,32)/t17-,18+,23+/m1/s1" ; chebi:inchikey "OGUHNRNBJHRPNW-STSQHVNTSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104274" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_104275 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H36FN3O4" ; chebi:inchi "InChI=1S/C28H36FN3O4/c1-18-14-32(15-20-6-5-7-22(29)12-20)19(2)17-36-25-13-23(30-27(33)21-8-9-21)10-11-24(25)28(34)31(3)16-26(18)35-4/h5-7,10-13,18-19,21,26H,8-9,14-17H2,1-4H3,(H,30,33)/t18-,19+,26-/m1/s1" ; chebi:inchikey "FZYPJVOXNKMGKY-UYXZNNOOSA-N" ; chebi:mass "497.603" ; chebi:monoisotopicmass "497.26898" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104275" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_104276 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H39N3O6" ; chebi:inchi "InChI=1S/C26H39N3O6/c1-17-13-29(25(31)19-8-6-7-9-19)18(2)15-35-22-12-20(27-24(30)16-33-4)10-11-21(22)26(32)28(3)14-23(17)34-5/h10-12,17-19,23H,6-9,13-16H2,1-5H3,(H,27,30)/t17-,18-,23-/m0/s1" ; chebi:inchikey "ODEBYALMHVNZLV-BSRJHKFKSA-N" ; chebi:mass "489.605" ; chebi:monoisotopicmass "489.28389" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104276" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-8-[cyclopentyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_104277 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H39N3O6" ; chebi:inchi "InChI=1S/C26H39N3O6/c1-6-24(30)29-14-17(2)23(33-5)15-28(4)26(32)21-8-7-20(13-22(21)35-16-18(29)3)27-25(31)19-9-11-34-12-10-19/h7-8,13,17-19,23H,6,9-12,14-16H2,1-5H3,(H,27,31)/t17-,18+,23-/m0/s1" ; chebi:inchikey "MDHLDPDUZLKUJE-IXFSTUDKSA-N" ; chebi:mass "489.605" ; chebi:monoisotopicmass "489.28389" ; chebi:smiles "CCC(=O)N1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3CCOCC3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104277" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_104278 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30Cl2N4O4" ; chebi:inchi "InChI=1S/C24H30Cl2N4O4/c1-14-11-27-15(2)13-34-21-8-6-16(9-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-17-5-7-19(25)20(26)10-17/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15+,22-/m1/s1" ; chebi:inchikey "LHXFIZLNBSIVPU-ZCCHDVMBSA-N" ; chebi:mass "509.426" ; chebi:monoisotopicmass "508.16441" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104278" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,4-dichlorophenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104279 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O5" ; chebi:inchi "InChI=1S/C24H38N4O5/c1-7-11-25-24(31)26-18-9-10-20-19(12-18)23(30)27(5)14-21(32-6)16(3)13-28(22(29)8-2)17(4)15-33-20/h9-10,12,16-17,21H,7-8,11,13-15H2,1-6H3,(H2,25,26,31)/t16-,17+,21-/m1/s1" ; chebi:inchikey "WKMZWDZZZDEYCM-LLGFUMIMSA-N" ; chebi:mass "462.583" ; chebi:monoisotopicmass "462.28422" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104279" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_10428 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_36218 ; owl:deprecated true . obo:CHEBI_104280 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H41N3O4" ; chebi:inchi "InChI=1S/C26H41N3O4/c1-18-14-29(15-21-9-7-6-8-10-21)19(2)17-33-24-12-11-22(27-20(3)30)13-23(24)26(31)28(4)16-25(18)32-5/h11-13,18-19,21,25H,6-10,14-17H2,1-5H3,(H,27,30)/t18-,19+,25+/m1/s1" ; chebi:inchikey "YEIJZPFIQUPCSE-WYEJZRMESA-N" ; chebi:mass "459.622" ; chebi:monoisotopicmass "459.30971" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104280" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104281 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N3O5" ; chebi:inchi "InChI=1S/C25H37N3O5/c1-16-13-28(18(3)29)17(2)15-33-22-11-10-20(26-24(30)19-8-6-7-9-19)12-21(22)25(31)27(4)14-23(16)32-5/h10-12,16-17,19,23H,6-9,13-15H2,1-5H3,(H,26,30)/t16-,17-,23+/m1/s1" ; chebi:inchikey "YOWCQSGRJVNXNF-QZMQVMSPSA-N" ; chebi:mass "459.579" ; chebi:monoisotopicmass "459.27332" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104281" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_104282 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H36N4O5" ; chebi:inchi "InChI=1S/C23H36N4O5/c1-15-11-27(22(29)13-25(4)5)16(2)14-32-20-10-18(24-17(3)28)8-9-19(20)23(30)26(6)12-21(15)31-7/h8-10,15-16,21H,11-14H2,1-7H3,(H,24,28)/t15-,16+,21-/m0/s1" ; chebi:inchikey "ORSJUXOXPPDIAU-MRUHUIDDSA-N" ; chebi:mass "448.557" ; chebi:monoisotopicmass "448.26857" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104282" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104283 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H36F3N3O4" ; chebi:inchi "InChI=1S/C24H36F3N3O4/c1-6-7-22(31)28-18-8-9-20-19(12-18)23(32)29(4)14-21(33-5)16(2)13-30(17(3)15-34-20)11-10-24(25,26)27/h8-9,12,16-17,21H,6-7,10-11,13-15H2,1-5H3,(H,28,31)/t16-,17+,21-/m0/s1" ; chebi:inchikey "HECXZILGRZYZSJ-FVJLSDCUSA-N" ; chebi:mass "487.556" ; chebi:monoisotopicmass "487.26579" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CCC(F)(F)F)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104283" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_104284 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H39N3O4" ; chebi:inchi "InChI=1S/C25H39N3O4/c1-6-12-28-14-17(2)23(31-5)15-27(4)25(30)21-13-20(26-24(29)19-8-7-9-19)10-11-22(21)32-16-18(28)3/h10-11,13,17-19,23H,6-9,12,14-16H2,1-5H3,(H,26,29)/t17-,18-,23+/m0/s1" ; chebi:inchikey "JELNQRUVVFGWSZ-IUKKYPGJSA-N" ; chebi:mass "445.596" ; chebi:monoisotopicmass "445.29406" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CCC3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104284" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_104285 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H38N6O4" ; chebi:inchi "InChI=1S/C26H38N6O4/c1-17(2)29-26(34)30-21-7-8-23-22(9-21)25(33)31(5)14-24(35-6)18(3)12-32(19(4)15-36-23)13-20-10-27-16-28-11-20/h7-11,16-19,24H,12-15H2,1-6H3,(H2,29,30,34)/t18-,19-,24-/m1/s1" ; chebi:inchikey "DRUGZYWRQAVALM-KHCICDEESA-N" ; chebi:mass "498.619" ; chebi:monoisotopicmass "498.29545" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104285" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104286 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O4" ; chebi:inchi "InChI=1S/C28H37N3O4/c1-19-15-31(16-21-10-11-21)20(2)18-35-25-13-12-23(29-27(32)22-8-6-5-7-9-22)14-24(25)28(33)30(3)17-26(19)34-4/h5-9,12-14,19-21,26H,10-11,15-18H2,1-4H3,(H,29,32)/t19-,20+,26+/m1/s1" ; chebi:inchikey "WREZSNUYDZQHHD-GOHWNWGWSA-N" ; chebi:mass "479.612" ; chebi:monoisotopicmass "479.27841" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104286" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104287 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-12-18(27-24(30)19-8-6-7-9-21(19)26)10-11-20(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17-,23+/m0/s1" ; chebi:inchikey "FSOYZNCORKLRQF-HKARXFIJSA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104287" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104288 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H36N4O5" ; chebi:inchi "InChI=1S/C23H36N4O5/c1-15-11-27(22(29)13-25(4)5)16(2)14-32-20-10-18(24-17(3)28)8-9-19(20)23(30)26(6)12-21(15)31-7/h8-10,15-16,21H,11-14H2,1-7H3,(H,24,28)/t15-,16-,21+/m1/s1" ; chebi:inchikey "ORSJUXOXPPDIAU-ZOCZFRKYSA-N" ; chebi:mass "448.557" ; chebi:monoisotopicmass "448.26857" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104288" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104289 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O5" ; chebi:inchi "InChI=1S/C25H34N4O5/c1-16-13-26-17(2)15-34-22-11-8-19(12-21(22)24(30)29(3)14-23(16)33-5)28-25(31)27-18-6-9-20(32-4)10-7-18/h6-12,16-17,23,26H,13-15H2,1-5H3,(H2,27,28,31)/t16-,17-,23+/m1/s1" ; chebi:inchikey "PJDHXRQRCWLMLV-QZMQVMSPSA-N" ; chebi:mass "470.562" ; chebi:monoisotopicmass "470.25292" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104289" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-methoxyphenyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_10429 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25622 ; rdfs:subClassOf obo:CHEBI_64986 . _:b306 rdf:type owl:Restriction . obo:CHEBI_10429 rdfs:subClassOf _:b306 . _:b306 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . _:b307 rdf:type owl:Restriction . obo:CHEBI_10429 rdfs:subClassOf _:b307 . _:b307 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_67079 . _:b308 rdf:type owl:Restriction . obo:CHEBI_10429 rdfs:subClassOf _:b308 . _:b308 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . obo:CHEBI_10429 obo:IAO_0000115 "A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities." ; chebi:charge "0" ; chebi:formula "C15H14O3" ; chebi:inchi "InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3" ; chebi:inchikey "QZPQTZZNNJUOLS-UHFFFAOYSA-N" ; chebi:mass "242.26990" ; chebi:monoisotopicmass "242.09429" ; chebi:smiles "CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O" ; oboInOwl:hasAlternativeId "CHEBI:66546" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10429" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-lapachone" . obo:CHEBI_104290 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H37N3O5" ; chebi:inchi "InChI=1S/C23H37N3O5/c1-7-10-26-12-16(2)21(30-6)13-25(4)23(28)19-11-18(24-22(27)15-29-5)8-9-20(19)31-14-17(26)3/h8-9,11,16-17,21H,7,10,12-15H2,1-6H3,(H,24,27)/t16-,17+,21-/m0/s1" ; chebi:inchikey "ZSTCKDKDRWVGTF-FVJLSDCUSA-N" ; chebi:mass "435.558" ; chebi:monoisotopicmass "435.27332" ; chebi:smiles "CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)COC)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104290" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104291 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O5" ; chebi:inchi "InChI=1S/C25H34N4O5/c1-16-13-26-17(2)15-34-22-11-8-19(12-21(22)24(30)29(3)14-23(16)33-5)28-25(31)27-18-6-9-20(32-4)10-7-18/h6-12,16-17,23,26H,13-15H2,1-5H3,(H2,27,28,31)/t16-,17-,23-/m1/s1" ; chebi:inchikey "PJDHXRQRCWLMLV-SEPYTNNBSA-N" ; chebi:mass "470.562" ; chebi:monoisotopicmass "470.25292" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104291" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-methoxyphenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104292 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H39N3O6" ; chebi:inchi "InChI=1S/C26H39N3O6/c1-6-24(30)29-14-17(2)23(33-5)15-28(4)26(32)21-8-7-20(13-22(21)35-16-18(29)3)27-25(31)19-9-11-34-12-10-19/h7-8,13,17-19,23H,6,9-12,14-16H2,1-5H3,(H,27,31)/t17-,18+,23+/m0/s1" ; chebi:inchikey "MDHLDPDUZLKUJE-YZZKKUAISA-N" ; chebi:mass "489.605" ; chebi:monoisotopicmass "489.28389" ; chebi:smiles "CCC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3CCOCC3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104292" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_104293 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H34N4O4" ; chebi:inchi "InChI=1S/C21H34N4O4/c1-13(2)23-21(27)24-16-7-8-18-17(9-16)20(26)25(5)11-19(28-6)14(3)10-22-15(4)12-29-18/h7-9,13-15,19,22H,10-12H2,1-6H3,(H2,23,24,27)/t14-,15-,19+/m1/s1" ; chebi:inchikey "PXLHMJKVTIIEQJ-CLCXKQKWSA-N" ; chebi:mass "406.520" ; chebi:monoisotopicmass "406.25801" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104293" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104294 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O4" ; chebi:inchi "InChI=1S/C28H37N3O4/c1-19-15-31(16-21-10-11-21)20(2)18-35-25-13-12-23(29-27(32)22-8-6-5-7-9-22)14-24(25)28(33)30(3)17-26(19)34-4/h5-9,12-14,19-21,26H,10-11,15-18H2,1-4H3,(H,29,32)/t19-,20+,26+/m0/s1" ; chebi:inchikey "WREZSNUYDZQHHD-OUDXUNEISA-N" ; chebi:mass "479.612" ; chebi:monoisotopicmass "479.27841" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104294" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104295 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-19(27-23(29)17-5-7-18(25)8-6-17)11-20(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16-,22-/m0/s1" ; chebi:inchikey "NMVKSNPKIBDAFP-WCJKSRRJSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104295" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104296 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30Cl2N4O4" ; chebi:inchi "InChI=1S/C24H30Cl2N4O4/c1-14-11-27-15(2)13-34-21-8-6-16(9-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-17-5-7-19(25)20(26)10-17/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15-,22+/m0/s1" ; chebi:inchikey "LHXFIZLNBSIVPU-AYSMAOOMSA-N" ; chebi:mass "509.426" ; chebi:monoisotopicmass "508.16441" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104296" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,4-dichlorophenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104297 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-15(2)28-23(33)29-18-7-8-20-19(11-18)22(32)30(5)13-21(34-6)16(3)12-31(17(4)14-35-20)10-9-24(25,26)27/h7-8,11,15-17,21H,9-10,12-14H2,1-6H3,(H2,28,29,33)/t16-,17+,21-/m0/s1" ; chebi:inchikey "LWXKGGIJWSHZGV-FVJLSDCUSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104297" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104298 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O4" ; chebi:inchi "InChI=1S/C25H34N4O4/c1-17-13-29(14-20-7-6-10-26-12-20)18(2)16-33-23-9-8-21(27-19(3)30)11-22(23)25(31)28(4)15-24(17)32-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,27,30)/t17-,18+,24-/m1/s1" ; chebi:inchikey "POIAECOHAGPJOS-NXMSCROESA-N" ; chebi:mass "454.563" ; chebi:monoisotopicmass "454.25801" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104298" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104299 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H33N5O5S" ; chebi:inchi "InChI=1S/C22H33N5O5S/c1-15-10-26(4)16(2)13-32-19-8-7-17(24-33(29,30)21-12-25(3)14-23-21)9-18(19)22(28)27(5)11-20(15)31-6/h7-9,12,14-16,20,24H,10-11,13H2,1-6H3/t15-,16-,20-/m0/s1" ; chebi:inchikey "SSHPSTSVPAJXGJ-FTRWYGJKSA-N" ; chebi:mass "479.595" ; chebi:monoisotopicmass "479.22024" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104299" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_1043 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_30793 ; owl:deprecated true . obo:CHEBI_10430 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28560 ; owl:deprecated true . obo:CHEBI_104300 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(26(33)20-8-6-7-9-22(20)27)17(2)15-35-23-12-19(28-18(3)31)10-11-21(23)25(32)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,31)/t16-,17-,24-/m0/s1" ; chebi:inchikey "JPQILOCSRFKHEV-UAVUOLJFSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104300" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104301 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O5" ; chebi:inchi "InChI=1S/C24H38N4O5/c1-7-11-25-24(31)26-18-9-10-20-19(12-18)23(30)27(5)14-21(32-6)16(3)13-28(22(29)8-2)17(4)15-33-20/h9-10,12,16-17,21H,7-8,11,13-15H2,1-6H3,(H2,25,26,31)/t16-,17-,21+/m1/s1" ; chebi:inchikey "WKMZWDZZZDEYCM-LZJOCLMNSA-N" ; chebi:mass "462.583" ; chebi:monoisotopicmass "462.28422" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104301" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104302 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30Cl2N4O4" ; chebi:inchi "InChI=1S/C24H30Cl2N4O4/c1-14-11-27-15(2)13-34-21-8-6-16(9-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-17-5-7-19(25)20(26)10-17/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15+,22+/m1/s1" ; chebi:inchikey "LHXFIZLNBSIVPU-GTQRCTGISA-N" ; chebi:mass "509.426" ; chebi:monoisotopicmass "508.16441" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104302" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,4-dichlorophenyl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104303 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H40FN3O4" ; chebi:inchi "InChI=1S/C30H40FN3O4/c1-20-16-34(17-22-9-11-24(31)12-10-22)21(2)19-38-27-14-13-25(32-29(35)23-7-5-6-8-23)15-26(27)30(36)33(3)18-28(20)37-4/h9-15,20-21,23,28H,5-8,16-19H2,1-4H3,(H,32,35)/t20-,21-,28-/m1/s1" ; chebi:inchikey "IPZNZTZAKSLSOU-UMQWNRPGSA-N" ; chebi:mass "525.656" ; chebi:monoisotopicmass "525.30028" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCCC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=C(C=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104303" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-[(4-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_104304 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O4" ; chebi:inchi "InChI=1S/C28H37N3O4/c1-19-15-31(16-21-10-11-21)20(2)18-35-25-13-12-23(29-27(32)22-8-6-5-7-9-22)14-24(25)28(33)30(3)17-26(19)34-4/h5-9,12-14,19-21,26H,10-11,15-18H2,1-4H3,(H,29,32)/t19-,20+,26-/m0/s1" ; chebi:inchikey "WREZSNUYDZQHHD-UNVFRBQDSA-N" ; chebi:mass "479.612" ; chebi:monoisotopicmass "479.27841" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104304" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104305 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N5O4" ; chebi:inchi "InChI=1S/C23H31N5O4/c1-15-12-27(3)16(2)14-32-20-10-17(26-22(29)19-11-24-8-9-25-19)6-7-18(20)23(30)28(4)13-21(15)31-5/h6-11,15-16,21H,12-14H2,1-5H3,(H,26,29)/t15-,16+,21-/m0/s1" ; chebi:inchikey "WHHUAOMDORXOMQ-MRUHUIDDSA-N" ; chebi:mass "441.524" ; chebi:monoisotopicmass "441.23760" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104305" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_104306 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C20H31N3O5" ; chebi:inchi "InChI=1S/C20H31N3O5/c1-13-9-21-14(2)11-28-17-7-6-15(22-19(24)12-26-4)8-16(17)20(25)23(3)10-18(13)27-5/h6-8,13-14,18,21H,9-12H2,1-5H3,(H,22,24)/t13-,14-,18+/m0/s1" ; chebi:inchikey "JPYQBBUSLGAIKR-SUNYJGFJSA-N" ; chebi:mass "393.478" ; chebi:monoisotopicmass "393.22637" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104306" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104307 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H38N4O7S" ; chebi:inchi "InChI=1S/C31H38N4O7S/c1-21-18-35(30(36)14-23-8-7-13-32-17-23)22(2)20-42-28-15-24(11-12-27(28)31(37)34(3)19-29(21)41-5)33-43(38,39)26-10-6-9-25(16-26)40-4/h6-13,15-17,21-22,29,33H,14,18-20H2,1-5H3/t21-,22-,29+/m0/s1" ; chebi:inchikey "CTXMNAKEZUVJQX-IHMCZWCLSA-N" ; chebi:mass "610.723" ; chebi:monoisotopicmass "610.24612" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104307" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_104308 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37ClN6O6" ; chebi:inchi "InChI=1S/C30H37ClN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-12-11-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-21(31)8-10-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18+,26+/m1/s1" ; chebi:inchikey "CNFQIZJMIVHXMW-ZENTWMBTSA-N" ; chebi:mass "613.105" ; chebi:monoisotopicmass "612.24631" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104308" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7R,8R)-14-[[(4-chloroanilino)-oxomethyl]amino]-N-(3,5-dimethyl-4-isoxazolyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_104309 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-17-13-30(26(33)21-8-6-7-11-27-21)18(2)15-36-22-12-19(28-24(31)16-34-4)9-10-20(22)25(32)29(3)14-23(17)35-5/h6-12,17-18,23H,13-16H2,1-5H3,(H,28,31)/t17-,18+,23-/m0/s1" ; chebi:inchikey "UPGINRWREGYSMW-IXFSTUDKSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104309" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10431 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18147 ; owl:deprecated true . obo:CHEBI_104310 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N3O5" ; chebi:inchi "InChI=1S/C25H37N3O5/c1-16-13-28(18(3)29)17(2)15-33-22-11-10-20(26-24(30)19-8-6-7-9-19)12-21(22)25(31)27(4)14-23(16)32-5/h10-12,16-17,19,23H,6-9,13-15H2,1-5H3,(H,26,30)/t16-,17+,23+/m0/s1" ; chebi:inchikey "YOWCQSGRJVNXNF-YGKZAACZSA-N" ; chebi:mass "459.579" ; chebi:monoisotopicmass "459.27332" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104310" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_104311 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H39N3O4" ; chebi:inchi "InChI=1S/C25H39N3O4/c1-6-12-28-14-17(2)23(31-5)15-27(4)25(30)21-13-20(26-24(29)19-8-7-9-19)10-11-22(21)32-16-18(28)3/h10-11,13,17-19,23H,6-9,12,14-16H2,1-5H3,(H,26,29)/t17-,18+,23-/m0/s1" ; chebi:inchikey "JELNQRUVVFGWSZ-IXFSTUDKSA-N" ; chebi:mass "445.596" ; chebi:monoisotopicmass "445.29406" ; chebi:smiles "CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CCC3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104311" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_104312 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H36N4O6S" ; chebi:inchi "InChI=1S/C22H36N4O6S/c1-14(2)23-22(28)26-11-15(3)20(31-6)12-25(5)21(27)18-10-17(24-33(7,29)30)8-9-19(18)32-13-16(26)4/h8-10,14-16,20,24H,11-13H2,1-7H3,(H,23,28)/t15-,16-,20+/m0/s1" ; chebi:inchikey "VUTYSYZKXJFCMD-TWOQFEAHSA-N" ; chebi:mass "484.611" ; chebi:monoisotopicmass "484.23556" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104312" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7S,8S)-14-(methanesulfonamido)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_104313 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O5" ; chebi:inchi "InChI=1S/C24H37N3O5/c1-16-13-26(3)17(2)15-32-21-12-19(25-23(28)18-8-10-31-11-9-18)6-7-20(21)24(29)27(4)14-22(16)30-5/h6-7,12,16-18,22H,8-11,13-15H2,1-5H3,(H,25,28)/t16-,17+,22-/m1/s1" ; chebi:inchikey "TVGROYRLGTWDMS-HYFFOGBASA-N" ; chebi:mass "447.569" ; chebi:monoisotopicmass "447.27332" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104313" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_104314 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-15(2)28-23(33)29-18-7-8-20-19(11-18)22(32)30(5)13-21(34-6)16(3)12-31(17(4)14-35-20)10-9-24(25,26)27/h7-8,11,15-17,21H,9-10,12-14H2,1-6H3,(H2,28,29,33)/t16-,17-,21-/m0/s1" ; chebi:inchikey "LWXKGGIJWSHZGV-FIKGOQFSSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104314" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104315 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O5" ; chebi:inchi "InChI=1S/C24H38N4O5/c1-7-11-25-24(31)26-18-9-10-20-19(12-18)23(30)27(5)14-21(32-6)16(3)13-28(22(29)8-2)17(4)15-33-20/h9-10,12,16-17,21H,7-8,11,13-15H2,1-6H3,(H2,25,26,31)/t16-,17+,21+/m0/s1" ; chebi:inchikey "WKMZWDZZZDEYCM-CSODHUTKSA-N" ; chebi:mass "462.583" ; chebi:monoisotopicmass "462.28422" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104315" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104316 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O6" ; chebi:inchi "InChI=1S/C25H34N4O6/c1-7-23(30)29-12-15(2)22(33-6)13-28(5)25(32)19-9-8-18(11-21(19)34-14-16(29)3)26-24(31)20-10-17(4)35-27-20/h8-11,15-16,22H,7,12-14H2,1-6H3,(H,26,31)/t15-,16-,22+/m1/s1" ; chebi:inchikey "ILZDYFIBDLQWDD-MCFFVMPBSA-N" ; chebi:mass "486.562" ; chebi:monoisotopicmass "486.24783" ; chebi:smiles "CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104316" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_104317 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O6" ; chebi:inchi "InChI=1S/C25H34N4O6/c1-7-23(30)29-12-15(2)22(33-6)13-28(5)25(32)19-9-8-18(11-21(19)34-14-16(29)3)26-24(31)20-10-17(4)35-27-20/h8-11,15-16,22H,7,12-14H2,1-6H3,(H,26,31)/t15-,16-,22-/m1/s1" ; chebi:inchikey "ILZDYFIBDLQWDD-XCGNWRKASA-N" ; chebi:mass "486.562" ; chebi:monoisotopicmass "486.24783" ; chebi:smiles "CCC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104317" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_104318 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30Cl2N4O4" ; chebi:inchi "InChI=1S/C24H30Cl2N4O4/c1-14-11-27-15(2)13-34-21-8-6-16(9-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-17-5-7-19(25)20(26)10-17/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15+,22+/m0/s1" ; chebi:inchikey "LHXFIZLNBSIVPU-SMASLZHESA-N" ; chebi:mass "509.426" ; chebi:monoisotopicmass "508.16441" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104318" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,4-dichlorophenyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104319 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30Cl2N4O4" ; chebi:inchi "InChI=1S/C24H30Cl2N4O4/c1-14-11-27-15(2)13-34-21-8-6-16(9-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-17-5-7-19(25)20(26)10-17/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15-,22-/m0/s1" ; chebi:inchikey "LHXFIZLNBSIVPU-DFFLPILJSA-N" ; chebi:mass "509.426" ; chebi:monoisotopicmass "508.16441" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104319" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,4-dichlorophenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_10432 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35682 . _:b309 rdf:type owl:Restriction . obo:CHEBI_10432 rdfs:subClassOf _:b309 . _:b309 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35444 . _:b310 rdf:type owl:Restriction . obo:CHEBI_10432 rdfs:subClassOf _:b310 . _:b310 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50902 . _:b311 rdf:type owl:Restriction . obo:CHEBI_10432 rdfs:subClassOf _:b311 . _:b311 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_75771 . _:b312 rdf:type owl:Restriction . obo:CHEBI_10432 rdfs:subClassOf _:b312 . _:b312 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76967 . obo:CHEBI_10432 obo:IAO_0000115 "A naphthol carrying a hydroxy group at position 2." ; chebi:charge "0" ; chebi:formula "C10H8O" ; chebi:inchi "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" ; chebi:inchikey "JWAZRIHNYRIHIV-UHFFFAOYSA-N" ; chebi:mass "144.16992" ; chebi:monoisotopicmass "144.05751" ; chebi:smiles "Oc1ccc2ccccc2c1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10432" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "2-naphthol" . obo:CHEBI_104320 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36F3N3O6" ; chebi:inchi "InChI=1S/C26H36F3N3O6/c1-16-13-32(24(34)18-7-9-37-10-8-18)17(2)15-38-21-6-5-19(30-23(33)12-26(27,28)29)11-20(21)25(35)31(3)14-22(16)36-4/h5-6,11,16-18,22H,7-10,12-15H2,1-4H3,(H,30,33)/t16-,17-,22-/m1/s1" ; chebi:inchikey "GPEXLPSANWTTMU-DRSNIGMVSA-N" ; chebi:mass "543.577" ; chebi:monoisotopicmass "543.25562" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCOCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104320" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,3,3-trifluoro-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-[4-oxanyl(oxo)methyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104321 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H37N3O5" ; chebi:inchi "InChI=1S/C23H37N3O5/c1-7-10-26-12-16(2)21(30-6)13-25(4)23(28)19-11-18(24-22(27)15-29-5)8-9-20(19)31-14-17(26)3/h8-9,11,16-17,21H,7,10,12-15H2,1-6H3,(H,24,27)/t16-,17+,21+/m0/s1" ; chebi:inchikey "ZSTCKDKDRWVGTF-CSODHUTKSA-N" ; chebi:mass "435.558" ; chebi:monoisotopicmass "435.27332" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)COC)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104321" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104322 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-19(27-23(29)17-5-7-18(25)8-6-17)11-20(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16+,22-/m0/s1" ; chebi:inchikey "NMVKSNPKIBDAFP-DMPWYTOCSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104322" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104323 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35FN4O5" ; chebi:inchi "InChI=1S/C28H35FN4O5/c1-17-14-33(26(34)19-8-9-19)18(2)16-38-24-11-10-22(13-23(24)27(35)32(3)15-25(17)37-4)31-28(36)30-21-7-5-6-20(29)12-21/h5-7,10-13,17-19,25H,8-9,14-16H2,1-4H3,(H2,30,31,36)/t17-,18+,25+/m1/s1" ; chebi:inchikey "UCDDDGMWGBQWAH-UZEJHQAJSA-N" ; chebi:mass "526.601" ; chebi:monoisotopicmass "526.25915" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104323" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_104324 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H35N5O4S" ; chebi:inchi "InChI=1S/C31H35N5O4S/c1-20-16-36(17-22-8-7-13-32-15-22)21(2)19-40-26-14-23(11-12-24(26)31(38)35(3)18-27(20)39-4)33-29(37)30-34-25-9-5-6-10-28(25)41-30/h5-15,20-21,27H,16-19H2,1-4H3,(H,33,37)/t20-,21+,27+/m1/s1" ; chebi:inchikey "HCXQDEKJJPGAJR-BUEREQSYSA-N" ; chebi:mass "573.708" ; chebi:monoisotopicmass "573.24098" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104324" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_104325 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H39N3O6" ; chebi:inchi "InChI=1S/C26H39N3O6/c1-17-13-29(25(31)19-8-6-7-9-19)18(2)15-35-22-12-20(27-24(30)16-33-4)10-11-21(22)26(32)28(3)14-23(17)34-5/h10-12,17-19,23H,6-9,13-16H2,1-5H3,(H,27,30)/t17-,18+,23-/m0/s1" ; chebi:inchikey "ODEBYALMHVNZLV-IXFSTUDKSA-N" ; chebi:mass "489.605" ; chebi:monoisotopicmass "489.28389" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104325" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[cyclopentyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_104326 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H35N5O4S" ; chebi:inchi "InChI=1S/C31H35N5O4S/c1-20-16-36(17-22-8-7-13-32-15-22)21(2)19-40-26-14-23(11-12-24(26)31(38)35(3)18-27(20)39-4)33-29(37)30-34-25-9-5-6-10-28(25)41-30/h5-15,20-21,27H,16-19H2,1-4H3,(H,33,37)/t20-,21-,27+/m1/s1" ; chebi:inchikey "HCXQDEKJJPGAJR-GNMOFYLKSA-N" ; chebi:mass "573.708" ; chebi:monoisotopicmass "573.24098" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104326" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_104327 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-15(2)28-23(33)29-18-7-8-20-19(11-18)22(32)30(5)13-21(34-6)16(3)12-31(17(4)14-35-20)10-9-24(25,26)27/h7-8,11,15-17,21H,9-10,12-14H2,1-6H3,(H2,28,29,33)/t16-,17+,21+/m1/s1" ; chebi:inchikey "LWXKGGIJWSHZGV-WWMYMODYSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104327" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104328 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H33N3O8S" ; chebi:inchi "InChI=1S/C26H33N3O8S/c1-16-12-29(25(30)18-6-9-21-23(10-18)37-15-36-21)17(2)14-35-22-11-19(27-38(5,32)33)7-8-20(22)26(31)28(3)13-24(16)34-4/h6-11,16-17,24,27H,12-15H2,1-5H3/t16-,17-,24-/m0/s1" ; chebi:inchikey "JZGYUICVYOVPMO-UAVUOLJFSA-N" ; chebi:mass "547.623" ; chebi:monoisotopicmass "547.19884" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104328" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104329 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H38N6O4" ; chebi:inchi "InChI=1S/C26H38N6O4/c1-17(2)29-26(34)30-21-7-8-23-22(9-21)25(33)31(5)14-24(35-6)18(3)12-32(19(4)15-36-23)13-20-10-27-16-28-11-20/h7-11,16-19,24H,12-15H2,1-6H3,(H2,29,30,34)/t18-,19+,24+/m0/s1" ; chebi:inchikey "DRUGZYWRQAVALM-XLNZFTOWSA-N" ; chebi:mass "498.619" ; chebi:monoisotopicmass "498.29545" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104329" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_10433 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16171 ; owl:deprecated true . obo:CHEBI_104330 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-17-13-30(26(33)21-8-6-7-11-27-21)18(2)15-36-22-12-19(28-24(31)16-34-4)9-10-20(22)25(32)29(3)14-23(17)35-5/h6-12,17-18,23H,13-16H2,1-5H3,(H,28,31)/t17-,18-,23+/m1/s1" ; chebi:inchikey "UPGINRWREGYSMW-PNCHPQGNSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104330" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104331 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H36FN3O4" ; chebi:inchi "InChI=1S/C28H36FN3O4/c1-18-14-32(15-20-6-5-7-22(29)12-20)19(2)17-36-25-13-23(30-27(33)21-8-9-21)10-11-24(25)28(34)31(3)16-26(18)35-4/h5-7,10-13,18-19,21,26H,8-9,14-17H2,1-4H3,(H,30,33)/t18-,19-,26+/m0/s1" ; chebi:inchikey "FZYPJVOXNKMGKY-LZJCXSABSA-N" ; chebi:mass "497.603" ; chebi:monoisotopicmass "497.26898" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104331" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_104332 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H41N3O5" ; chebi:inchi "InChI=1S/C26H41N3O5/c1-6-25(30)27-21-7-8-23-22(13-21)26(31)28(4)16-24(32-5)18(2)14-29(19(3)17-34-23)15-20-9-11-33-12-10-20/h7-8,13,18-20,24H,6,9-12,14-17H2,1-5H3,(H,27,30)/t18-,19+,24-/m1/s1" ; chebi:inchikey "WMGIIIYIYFXVGX-YDIMBITNSA-N" ; chebi:mass "475.622" ; chebi:monoisotopicmass "475.30462" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3CCOCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104332" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104333 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-7-8-24-23(14-22)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-21-9-12-28-13-10-21/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25+/m0/s1" ; chebi:inchikey "DCHCVUMEJAAHBI-WZOHSFFVSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104333" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104334 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H39N3O6" ; chebi:inchi "InChI=1S/C26H39N3O6/c1-17-13-29(25(31)19-8-6-7-9-19)18(2)15-35-22-12-20(27-24(30)16-33-4)10-11-21(22)26(32)28(3)14-23(17)34-5/h10-12,17-19,23H,6-9,13-16H2,1-5H3,(H,27,30)/t17-,18+,23+/m0/s1" ; chebi:inchikey "ODEBYALMHVNZLV-YZZKKUAISA-N" ; chebi:mass "489.605" ; chebi:monoisotopicmass "489.28389" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104334" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-8-[cyclopentyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_104335 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H41N3O4" ; chebi:inchi "InChI=1S/C26H41N3O4/c1-18-14-29(15-21-9-7-6-8-10-21)19(2)17-33-24-12-11-22(27-20(3)30)13-23(24)26(31)28(4)16-25(18)32-5/h11-13,18-19,21,25H,6-10,14-17H2,1-5H3,(H,27,30)/t18-,19+,25+/m0/s1" ; chebi:inchikey "YEIJZPFIQUPCSE-OSWQYVSFSA-N" ; chebi:mass "459.622" ; chebi:monoisotopicmass "459.30971" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104335" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104336 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H35N3O5S" ; chebi:inchi "InChI=1S/C21H35N3O5S/c1-7-10-24-12-15(2)20(28-5)13-23(4)21(25)18-11-17(22-30(6,26)27)8-9-19(18)29-14-16(24)3/h8-9,11,15-16,20,22H,7,10,12-14H2,1-6H3/t15-,16+,20-/m0/s1" ; chebi:inchikey "GJWLNKOJEVXCCA-YRNRMSPPSA-N" ; chebi:mass "441.587" ; chebi:monoisotopicmass "441.22974" ; chebi:smiles "CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104336" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104337 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34N4O5S" ; chebi:inchi "InChI=1S/C24H34N4O5S/c1-17-13-28(14-20-8-6-7-11-25-20)18(2)16-33-22-12-19(26-34(5,30)31)9-10-21(22)24(29)27(3)15-23(17)32-4/h6-12,17-18,23,26H,13-16H2,1-5H3/t17-,18+,23+/m0/s1" ; chebi:inchikey "VKVFXZDQZTZVBL-YZZKKUAISA-N" ; chebi:mass "490.618" ; chebi:monoisotopicmass "490.22499" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104337" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104338 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O5" ; chebi:inchi "InChI=1S/C25H34N4O5/c1-16-13-26-17(2)15-34-22-11-8-19(12-21(22)24(30)29(3)14-23(16)33-5)28-25(31)27-18-6-9-20(32-4)10-7-18/h6-12,16-17,23,26H,13-15H2,1-5H3,(H2,27,28,31)/t16-,17+,23+/m1/s1" ; chebi:inchikey "PJDHXRQRCWLMLV-DGGJZMOXSA-N" ; chebi:mass "470.562" ; chebi:monoisotopicmass "470.25292" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104338" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-methoxyphenyl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104339 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(26(33)20-8-6-7-9-22(20)27)17(2)15-35-23-12-19(28-18(3)31)10-11-21(23)25(32)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,31)/t16-,17-,24+/m1/s1" ; chebi:inchikey "JPQILOCSRFKHEV-OJLQRUNKSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104339" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10434 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16348 ; owl:deprecated true . obo:CHEBI_104340 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H38N4O7S" ; chebi:inchi "InChI=1S/C31H38N4O7S/c1-21-18-35(30(36)14-23-8-7-13-32-17-23)22(2)20-42-28-15-24(11-12-27(28)31(37)34(3)19-29(21)41-5)33-43(38,39)26-10-6-9-25(16-26)40-4/h6-13,15-17,21-22,29,33H,14,18-20H2,1-5H3/t21-,22-,29-/m1/s1" ; chebi:inchikey "CTXMNAKEZUVJQX-IEOSBIPESA-N" ; chebi:mass "610.723" ; chebi:monoisotopicmass "610.24612" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104340" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_104341 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H33N5O5S" ; chebi:inchi "InChI=1S/C22H33N5O5S/c1-15-10-26(4)16(2)13-32-19-8-7-17(24-33(29,30)21-12-25(3)14-23-21)9-18(19)22(28)27(5)11-20(15)31-6/h7-9,12,14-16,20,24H,10-11,13H2,1-6H3/t15-,16+,20+/m1/s1" ; chebi:inchikey "SSHPSTSVPAJXGJ-GUXCAODWSA-N" ; chebi:mass "479.595" ; chebi:monoisotopicmass "479.22024" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104341" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_104342 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37FN4O4" ; chebi:inchi "InChI=1S/C27H37FN4O4/c1-6-12-32-15-18(2)25(35-5)16-31(4)26(33)23-14-22(10-11-24(23)36-17-19(32)3)30-27(34)29-21-9-7-8-20(28)13-21/h7-11,13-14,18-19,25H,6,12,15-17H2,1-5H3,(H2,29,30,34)/t18-,19+,25+/m1/s1" ; chebi:inchikey "ACQKEKFFNOLIKU-WYEJZRMESA-N" ; chebi:mass "500.607" ; chebi:monoisotopicmass "500.27988" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104342" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104343 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N5O4" ; chebi:inchi "InChI=1S/C29H35N5O4/c1-20-16-34(17-23-9-5-7-13-30-23)21(2)19-38-26-15-22(32-28(35)25-10-6-8-14-31-25)11-12-24(26)29(36)33(3)18-27(20)37-4/h5-15,20-21,27H,16-19H2,1-4H3,(H,32,35)/t20-,21-,27-/m1/s1" ; chebi:inchikey "ZBJJNPNHABUELL-LGVUCKNBSA-N" ; chebi:mass "517.620" ; chebi:monoisotopicmass "517.26890" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=N3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=CC=N4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104343" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyridinecarboxamide" . obo:CHEBI_104344 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H41N3O5S" ; chebi:inchi "InChI=1S/C25H41N3O5S/c1-6-34(30,31)26-21-11-12-23-22(13-21)25(29)27(4)16-24(32-5)18(2)14-28(19(3)17-33-23)15-20-9-7-8-10-20/h11-13,18-20,24,26H,6-10,14-17H2,1-5H3/t18-,19+,24+/m1/s1" ; chebi:inchikey "CQIKJOZGEFZHGH-IMWIBFENSA-N" ; chebi:mass "495.677" ; chebi:monoisotopicmass "495.27669" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104344" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_104345 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C20H31N3O5" ; chebi:inchi "InChI=1S/C20H31N3O5/c1-13-9-21-14(2)11-28-17-7-6-15(22-19(24)12-26-4)8-16(17)20(25)23(3)10-18(13)27-5/h6-8,13-14,18,21H,9-12H2,1-5H3,(H,22,24)/t13-,14-,18-/m1/s1" ; chebi:inchikey "JPYQBBUSLGAIKR-HBUWYVDXSA-N" ; chebi:mass "393.478" ; chebi:monoisotopicmass "393.22637" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104345" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104346 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-12-18(27-24(30)19-8-6-7-9-21(19)26)10-11-20(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17+,23-/m0/s1" ; chebi:inchikey "FSOYZNCORKLRQF-MFEFFIJZSA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104346" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104347 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H36N4O5" ; chebi:inchi "InChI=1S/C23H36N4O5/c1-15-11-27(22(29)13-25(4)5)16(2)14-32-20-10-18(24-17(3)28)8-9-19(20)23(30)26(6)12-21(15)31-7/h8-10,15-16,21H,11-14H2,1-7H3,(H,24,28)/t15-,16+,21+/m0/s1" ; chebi:inchikey "ORSJUXOXPPDIAU-GCKMJXCFSA-N" ; chebi:mass "448.557" ; chebi:monoisotopicmass "448.26857" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104347" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104348 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-16-12-29(3)17(2)14-34-22-10-18(6-8-20(22)25(31)30(4)13-24(16)33-5)27-26(32)28-19-7-9-21-23(11-19)36-15-35-21/h6-11,16-17,24H,12-15H2,1-5H3,(H2,27,28,32)/t16-,17-,24-/m1/s1" ; chebi:inchikey "GEYUWNAIOQFKRH-HOZJOUCCSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104348" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,3-benzodioxol-5-yl)-3-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104349 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H36N4O6S" ; chebi:inchi "InChI=1S/C22H36N4O6S/c1-14(2)23-22(28)26-11-15(3)20(31-6)12-25(5)21(27)18-10-17(24-33(7,29)30)8-9-19(18)32-13-16(26)4/h8-10,14-16,20,24H,11-13H2,1-7H3,(H,23,28)/t15-,16+,20+/m1/s1" ; chebi:inchikey "VUTYSYZKXJFCMD-GUXCAODWSA-N" ; chebi:mass "484.611" ; chebi:monoisotopicmass "484.23556" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104349" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7R,8R)-14-(methanesulfonamido)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_10435 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26509 ; rdfs:subClassOf obo:CHEBI_38163 ; chebi:charge "0" ; chebi:formula "C17H24N2O" ; chebi:inchi "InChI=1S/C17H24N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,20)/t11-,12+,13-,17-/m1/s1" ; chebi:inchikey "SIQKNJDHWYZFFT-IPJQOSJUSA-N" ; chebi:mass "272.38534" ; chebi:monoisotopicmass "272.18886" ; chebi:smiles "[H][C@]12CCCN(C)[C@]11C[C@H](C)C[C@H]2Cc2[nH]c(=O)ccc12" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10435" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-obscurine" . obo:CHEBI_104350 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N5O4" ; chebi:inchi "InChI=1S/C23H31N5O4/c1-15-12-27(3)16(2)14-32-20-10-17(26-22(29)19-11-24-8-9-25-19)6-7-18(20)23(30)28(4)13-21(15)31-5/h6-11,15-16,21H,12-14H2,1-5H3,(H,26,29)/t15-,16-,21+/m1/s1" ; chebi:inchikey "WHHUAOMDORXOMQ-ZOCZFRKYSA-N" ; chebi:mass "441.524" ; chebi:monoisotopicmass "441.23760" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104350" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_104351 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H36F3N3O4" ; chebi:inchi "InChI=1S/C24H36F3N3O4/c1-6-7-22(31)28-18-8-9-20-19(12-18)23(32)29(4)14-21(33-5)16(2)13-30(17(3)15-34-20)11-10-24(25,26)27/h8-9,12,16-17,21H,6-7,10-11,13-15H2,1-5H3,(H,28,31)/t16-,17+,21-/m1/s1" ; chebi:inchikey "HECXZILGRZYZSJ-LLGFUMIMSA-N" ; chebi:mass "487.556" ; chebi:monoisotopicmass "487.26579" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CCC(F)(F)F)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104351" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_104352 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O5" ; chebi:inchi "InChI=1S/C25H34N4O5/c1-16-13-26-17(2)15-34-22-11-8-19(12-21(22)24(30)29(3)14-23(16)33-5)28-25(31)27-18-6-9-20(32-4)10-7-18/h6-12,16-17,23,26H,13-15H2,1-5H3,(H2,27,28,31)/t16-,17+,23+/m0/s1" ; chebi:inchikey "PJDHXRQRCWLMLV-YGKZAACZSA-N" ; chebi:mass "470.562" ; chebi:monoisotopicmass "470.25292" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104352" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-methoxyphenyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104353 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H35N3O5S" ; chebi:inchi "InChI=1S/C21H35N3O5S/c1-7-10-24-12-15(2)20(28-5)13-23(4)21(25)18-11-17(22-30(6,26)27)8-9-19(18)29-14-16(24)3/h8-9,11,15-16,20,22H,7,10,12-14H2,1-6H3/t15-,16-,20+/m1/s1" ; chebi:inchikey "GJWLNKOJEVXCCA-QINHECLXSA-N" ; chebi:mass "441.587" ; chebi:monoisotopicmass "441.22974" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104353" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104354 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H36N4O6S" ; chebi:inchi "InChI=1S/C22H36N4O6S/c1-14(2)23-22(28)26-11-15(3)20(31-6)12-25(5)21(27)18-10-17(24-33(7,29)30)8-9-19(18)32-13-16(26)4/h8-10,14-16,20,24H,11-13H2,1-7H3,(H,23,28)/t15-,16-,20-/m1/s1" ; chebi:inchikey "VUTYSYZKXJFCMD-JXXFODFXSA-N" ; chebi:mass "484.611" ; chebi:monoisotopicmass "484.23556" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104354" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8S)-14-(methanesulfonamido)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_104355 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O5" ; chebi:inchi "InChI=1S/C24H38N4O5/c1-7-11-25-24(31)26-18-9-10-20-19(12-18)23(30)27(5)14-21(32-6)16(3)13-28(22(29)8-2)17(4)15-33-20/h9-10,12,16-17,21H,7-8,11,13-15H2,1-6H3,(H2,25,26,31)/t16-,17-,21+/m0/s1" ; chebi:inchikey "WKMZWDZZZDEYCM-XGHQBKJUSA-N" ; chebi:mass "462.583" ; chebi:monoisotopicmass "462.28422" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104355" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104356 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H37N3O5" ; chebi:inchi "InChI=1S/C23H37N3O5/c1-7-10-26-12-16(2)21(30-6)13-25(4)23(28)19-11-18(24-22(27)15-29-5)8-9-20(19)31-14-17(26)3/h8-9,11,16-17,21H,7,10,12-15H2,1-6H3,(H,24,27)/t16-,17+,21-/m1/s1" ; chebi:inchikey "ZSTCKDKDRWVGTF-LLGFUMIMSA-N" ; chebi:mass "435.558" ; chebi:monoisotopicmass "435.27332" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)COC)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104356" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104357 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H36FN3O4" ; chebi:inchi "InChI=1S/C28H36FN3O4/c1-18-14-32(15-20-6-5-7-22(29)12-20)19(2)17-36-25-13-23(30-27(33)21-8-9-21)10-11-24(25)28(34)31(3)16-26(18)35-4/h5-7,10-13,18-19,21,26H,8-9,14-17H2,1-4H3,(H,30,33)/t18-,19-,26+/m1/s1" ; chebi:inchikey "FZYPJVOXNKMGKY-UDCNLSRBSA-N" ; chebi:mass "497.603" ; chebi:monoisotopicmass "497.26898" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104357" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_104358 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37FN4O4" ; chebi:inchi "InChI=1S/C27H37FN4O4/c1-6-12-32-15-18(2)25(35-5)16-31(4)26(33)23-14-22(10-11-24(23)36-17-19(32)3)30-27(34)29-21-9-7-8-20(28)13-21/h7-11,13-14,18-19,25H,6,12,15-17H2,1-5H3,(H2,29,30,34)/t18-,19+,25+/m0/s1" ; chebi:inchikey "ACQKEKFFNOLIKU-OSWQYVSFSA-N" ; chebi:mass "500.607" ; chebi:monoisotopicmass "500.27988" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104358" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104359 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H38N6O4" ; chebi:inchi "InChI=1S/C26H38N6O4/c1-17(2)29-26(34)30-21-7-8-23-22(9-21)25(33)31(5)14-24(35-6)18(3)12-32(19(4)15-36-23)13-20-10-27-16-28-11-20/h7-11,16-19,24H,12-15H2,1-6H3,(H2,29,30,34)/t18-,19-,24-/m0/s1" ; chebi:inchikey "DRUGZYWRQAVALM-JXQFQVJHSA-N" ; chebi:mass "498.619" ; chebi:monoisotopicmass "498.29545" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CN=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104359" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_10436 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_87751 ; obo:IAO_0000115 "The trans-stereoisomer of ocimene." ; chebi:charge "0" ; chebi:formula "C10H16" ; chebi:inchi "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3" ; chebi:inchikey "IHPKGUQCSIINRJ-UHFFFAOYSA-N" ; chebi:mass "136.234" ; chebi:monoisotopicmass "136.12520" ; chebi:smiles "CC(=CCC=C(C=C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10436" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-ocimene" . obo:CHEBI_104360 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-15(2)28-23(33)29-18-7-8-20-19(11-18)22(32)30(5)13-21(34-6)16(3)12-31(17(4)14-35-20)10-9-24(25,26)27/h7-8,11,15-17,21H,9-10,12-14H2,1-6H3,(H2,28,29,33)/t16-,17+,21+/m0/s1" ; chebi:inchikey "LWXKGGIJWSHZGV-CSODHUTKSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104360" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104361 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16196 ; owl:deprecated true . obo:CHEBI_104362 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_17962 . _:b313 rdf:type owl:Restriction . obo:CHEBI_104362 rdfs:subClassOf _:b313 . _:b313 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . obo:CHEBI_104362 obo:IAO_0000115 "A CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as octadec-11-enoyl." ; chebi:charge "0" ; chebi:formula "C48H85N3O15P2" ; chebi:inchi "InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h13-16,35-36,40-41,45-47,54-55H,3-12,17-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/t40-,41-,45-,46-,47-/m1/s1" ; chebi:inchikey "KISJWPWNABZPGN-IGIWICMZSA-N" ; chebi:mass "1006.149" ; chebi:monoisotopicmass "1005.54559" ; chebi:smiles "O(C[C@@H](COC(CCCCCCCCCC=CCCCCCC)=O)OC(CCCCCCCCCC=CCCCCCC)=O)P(OP(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(N=C(C=C2)N)=O)(=O)O)(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104362" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "1,2-dioctadec-11-enoyl-sn-glycero-3-cytidine 5'-diphosphate" . obo:CHEBI_104363 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N5O4" ; chebi:inchi "InChI=1S/C23H31N5O4/c1-15-12-27(3)16(2)14-32-20-10-17(26-22(29)19-11-24-8-9-25-19)6-7-18(20)23(30)28(4)13-21(15)31-5/h6-11,15-16,21H,12-14H2,1-5H3,(H,26,29)/t15-,16+,21+/m1/s1" ; chebi:inchikey "WHHUAOMDORXOMQ-XFQAVAEZSA-N" ; chebi:mass "441.524" ; chebi:monoisotopicmass "441.23760" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104363" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_104364 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O6" ; chebi:inchi "InChI=1S/C25H34N4O6/c1-7-23(30)29-12-15(2)22(33-6)13-28(5)25(32)19-9-8-18(11-21(19)34-14-16(29)3)26-24(31)20-10-17(4)35-27-20/h8-11,15-16,22H,7,12-14H2,1-6H3,(H,26,31)/t15-,16+,22-/m0/s1" ; chebi:inchikey "ILZDYFIBDLQWDD-DMPWYTOCSA-N" ; chebi:mass "486.562" ; chebi:monoisotopicmass "486.24783" ; chebi:smiles "CCC(=O)N1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104364" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_104365 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H41N3O5S" ; chebi:inchi "InChI=1S/C25H41N3O5S/c1-6-34(30,31)26-21-11-12-23-22(13-21)25(29)27(4)16-24(32-5)18(2)14-28(19(3)17-33-23)15-20-9-7-8-10-20/h11-13,18-20,24,26H,6-10,14-17H2,1-5H3/t18-,19-,24+/m0/s1" ; chebi:inchikey "CQIKJOZGEFZHGH-AXHZCLLHSA-N" ; chebi:mass "495.677" ; chebi:monoisotopicmass "495.27669" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104365" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_104366 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O4" ; chebi:inchi "InChI=1S/C25H34N4O4/c1-17-13-29(14-20-7-6-10-26-12-20)18(2)16-33-23-9-8-21(27-19(3)30)11-22(23)25(31)28(4)15-24(17)32-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,27,30)/t17-,18+,24-/m0/s1" ; chebi:inchikey "POIAECOHAGPJOS-RHGYRFJNSA-N" ; chebi:mass "454.563" ; chebi:monoisotopicmass "454.25801" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104366" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104367 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C20H31N3O5" ; chebi:inchi "InChI=1S/C20H31N3O5/c1-13-9-21-14(2)11-28-17-7-6-15(22-19(24)12-26-4)8-16(17)20(25)23(3)10-18(13)27-5/h6-8,13-14,18,21H,9-12H2,1-5H3,(H,22,24)/t13-,14+,18+/m1/s1" ; chebi:inchikey "JPYQBBUSLGAIKR-GLJUWKHASA-N" ; chebi:mass "393.478" ; chebi:monoisotopicmass "393.22637" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104367" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104368 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-26(31)28-22-12-13-23-24(14-22)34-18-20(3)30(16-21-10-8-7-9-11-21)15-19(2)25(33-5)17-29(4)27(23)32/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20+,25+/m1/s1" ; chebi:inchikey "YJDVPIUPODSEFW-RNHFSVANSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)CC3CCCCC3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104368" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104369 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-12-18(27-24(30)19-8-6-7-9-21(19)26)10-11-20(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17-,23-/m0/s1" ; chebi:inchikey "FSOYZNCORKLRQF-QQMNAOGKSA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104369" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5R,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_10437 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25000 ; rdfs:subClassOf obo:CHEBI_25036 ; chebi:charge "0" ; chebi:formula "C23H24O8" ; chebi:inchi "InChI=1S/C23H24O8/c1-25-15-6-11(7-16(26-2)21(15)28-4)18-13-8-17-22(31-10-30-17)20(27-3)14(13)5-12-9-29-23(24)19(12)18/h6-8,12,18-19H,5,9-10H2,1-4H3/t12-,18+,19-/m0/s1" ; chebi:inchikey "BFKORKXLSJUYSS-RQUSPXKASA-N" ; chebi:mass "428.433" ; chebi:monoisotopicmass "428.14712" ; chebi:smiles "COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)Cc2c1cc1OCOc1c2OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10437" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-Peltatin A methyl ether" . obo:CHEBI_104370 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O4" ; chebi:inchi "InChI=1S/C25H34N4O4/c1-17-13-29(14-20-7-6-10-26-12-20)18(2)16-33-23-9-8-21(27-19(3)30)11-22(23)25(31)28(4)15-24(17)32-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,27,30)/t17-,18-,24-/m0/s1" ; chebi:inchikey "POIAECOHAGPJOS-XFAGBWLFSA-N" ; chebi:mass "454.563" ; chebi:monoisotopicmass "454.25801" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104370" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104371 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34N4O5S" ; chebi:inchi "InChI=1S/C24H34N4O5S/c1-17-13-28(14-20-8-6-7-11-25-20)18(2)16-33-22-12-19(26-34(5,30)31)9-10-21(22)24(29)27(3)15-23(17)32-4/h6-12,17-18,23,26H,13-16H2,1-5H3/t17-,18+,23+/m1/s1" ; chebi:inchikey "VKVFXZDQZTZVBL-STSQHVNTSA-N" ; chebi:mass "490.618" ; chebi:monoisotopicmass "490.22499" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104371" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104372 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-15(2)28-23(33)29-18-7-8-20-19(11-18)22(32)30(5)13-21(34-6)16(3)12-31(17(4)14-35-20)10-9-24(25,26)27/h7-8,11,15-17,21H,9-10,12-14H2,1-6H3,(H2,28,29,33)/t16-,17-,21-/m1/s1" ; chebi:inchikey "LWXKGGIJWSHZGV-CBGDNZLLSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104372" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104373 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H41N3O5" ; chebi:inchi "InChI=1S/C26H41N3O5/c1-6-25(30)27-21-7-8-23-22(13-21)26(31)28(4)16-24(32-5)18(2)14-29(19(3)17-34-23)15-20-9-11-33-12-10-20/h7-8,13,18-20,24H,6,9-12,14-17H2,1-5H3,(H,27,30)/t18-,19+,24+/m0/s1" ; chebi:inchikey "WMGIIIYIYFXVGX-XLNZFTOWSA-N" ; chebi:mass "475.622" ; chebi:monoisotopicmass "475.30462" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3CCOCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104373" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104374 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H39N3O4" ; chebi:inchi "InChI=1S/C25H39N3O4/c1-6-12-28-14-17(2)23(31-5)15-27(4)25(30)21-13-20(26-24(29)19-8-7-9-19)10-11-22(21)32-16-18(28)3/h10-11,13,17-19,23H,6-9,12,14-16H2,1-5H3,(H,26,29)/t17-,18+,23+/m0/s1" ; chebi:inchikey "JELNQRUVVFGWSZ-YZZKKUAISA-N" ; chebi:mass "445.596" ; chebi:monoisotopicmass "445.29406" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CCC3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104374" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_104375 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H39N3O6" ; chebi:inchi "InChI=1S/C26H39N3O6/c1-17-13-29(25(31)19-8-6-7-9-19)18(2)15-35-22-12-20(27-24(30)16-33-4)10-11-21(22)26(32)28(3)14-23(17)34-5/h10-12,17-19,23H,6-9,13-16H2,1-5H3,(H,27,30)/t17-,18+,23-/m1/s1" ; chebi:inchikey "ODEBYALMHVNZLV-IEGUWTFLSA-N" ; chebi:mass "489.605" ; chebi:monoisotopicmass "489.28389" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104375" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-[cyclopentyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_104376 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-7-8-24-23(14-22)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-21-9-12-28-13-10-21/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20-,25-/m0/s1" ; chebi:inchikey "DCHCVUMEJAAHBI-RLSLOFABSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104376" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104377 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33ClN4O6S" ; chebi:inchi "InChI=1S/C25H33ClN4O6S/c1-16-13-30(37(5,33)34)17(2)15-36-22-11-10-18(12-19(22)24(31)29(3)14-23(16)35-4)27-25(32)28-21-9-7-6-8-20(21)26/h6-12,16-17,23H,13-15H2,1-5H3,(H2,27,28,32)/t16-,17-,23-/m1/s1" ; chebi:inchikey "ZAUBETAXUYVFOB-SEPYTNNBSA-N" ; chebi:mass "553.073" ; chebi:monoisotopicmass "552.18093" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3Cl)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104377" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-chlorophenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104378 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-17-32(15-14-22-8-6-5-7-9-22)21(2)19-36-26-13-12-24(30-28(33)23-10-11-23)16-25(26)29(34)31(3)18-27(20)35-4/h5-9,12-13,16,20-21,23,27H,10-11,14-15,17-19H2,1-4H3,(H,30,33)/t20-,21+,27-/m1/s1" ; chebi:inchikey "PRTUIZBAVMDHAZ-PBDKAQRYSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104378" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_104379 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H35N5O4S" ; chebi:inchi "InChI=1S/C31H35N5O4S/c1-20-16-36(17-22-8-7-13-32-15-22)21(2)19-40-26-14-23(11-12-24(26)31(38)35(3)18-27(20)39-4)33-29(37)30-34-25-9-5-6-10-28(25)41-30/h5-15,20-21,27H,16-19H2,1-4H3,(H,33,37)/t20-,21-,27-/m1/s1" ; chebi:inchikey "HCXQDEKJJPGAJR-LGVUCKNBSA-N" ; chebi:mass "573.708" ; chebi:monoisotopicmass "573.24098" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@H]1OC)C)C)CC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104379" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_10438 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_50025 ; owl:deprecated true . obo:CHEBI_104380 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H41N3O4" ; chebi:inchi "InChI=1S/C26H41N3O4/c1-18-14-29(15-21-9-7-6-8-10-21)19(2)17-33-24-12-11-22(27-20(3)30)13-23(24)26(31)28(4)16-25(18)32-5/h11-13,18-19,21,25H,6-10,14-17H2,1-5H3,(H,27,30)/t18-,19-,25+/m0/s1" ; chebi:inchikey "YEIJZPFIQUPCSE-XHNVNVPESA-N" ; chebi:mass "459.622" ; chebi:monoisotopicmass "459.30971" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104380" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104381 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H36FN3O4" ; chebi:inchi "InChI=1S/C28H36FN3O4/c1-18-14-32(15-20-6-5-7-22(29)12-20)19(2)17-36-25-13-23(30-27(33)21-8-9-21)10-11-24(25)28(34)31(3)16-26(18)35-4/h5-7,10-13,18-19,21,26H,8-9,14-17H2,1-4H3,(H,30,33)/t18-,19+,26+/m0/s1" ; chebi:inchikey "FZYPJVOXNKMGKY-GNBJCERTSA-N" ; chebi:mass "497.603" ; chebi:monoisotopicmass "497.26898" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104381" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_104382 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35N3O5" ; chebi:inchi "InChI=1S/C28H35N3O5/c1-18-15-31(27(33)21-10-11-21)19(2)17-36-24-14-22(29-26(32)20-8-6-5-7-9-20)12-13-23(24)28(34)30(3)16-25(18)35-4/h5-9,12-14,18-19,21,25H,10-11,15-17H2,1-4H3,(H,29,32)/t18-,19-,25+/m0/s1" ; chebi:inchikey "OQUNXXZCDPSMLO-XHNVNVPESA-N" ; chebi:mass "493.596" ; chebi:monoisotopicmass "493.25767" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104382" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-[cyclopropyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104383 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O5" ; chebi:inchi "InChI=1S/C24H37N3O5/c1-16-13-26(3)17(2)15-32-21-12-19(25-23(28)18-8-10-31-11-9-18)6-7-20(21)24(29)27(4)14-22(16)30-5/h6-7,12,16-18,22H,8-11,13-15H2,1-5H3,(H,25,28)/t16-,17-,22-/m1/s1" ; chebi:inchikey "TVGROYRLGTWDMS-DRSNIGMVSA-N" ; chebi:mass "447.569" ; chebi:monoisotopicmass "447.27332" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104383" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_104384 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35FN4O5" ; chebi:inchi "InChI=1S/C28H35FN4O5/c1-17-14-33(26(34)19-8-9-19)18(2)16-38-24-11-10-22(13-23(24)27(35)32(3)15-25(17)37-4)31-28(36)30-21-7-5-6-20(29)12-21/h5-7,10-13,17-19,25H,8-9,14-16H2,1-4H3,(H2,30,31,36)/t17-,18+,25+/m0/s1" ; chebi:inchikey "UCDDDGMWGBQWAH-YYULODDRSA-N" ; chebi:mass "526.601" ; chebi:monoisotopicmass "526.25915" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104384" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8S)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_104385 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-7-8-24-23(14-22)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-21-9-12-28-13-10-21/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20-,25+/m0/s1" ; chebi:inchikey "DCHCVUMEJAAHBI-ZYLNGJIFSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104385" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104386 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35N3O5" ; chebi:inchi "InChI=1S/C28H35N3O5/c1-18-15-31(27(33)21-10-11-21)19(2)17-36-24-14-22(29-26(32)20-8-6-5-7-9-20)12-13-23(24)28(34)30(3)16-25(18)35-4/h5-9,12-14,18-19,21,25H,10-11,15-17H2,1-4H3,(H,29,32)/t18-,19+,25+/m1/s1" ; chebi:inchikey "OQUNXXZCDPSMLO-WYEJZRMESA-N" ; chebi:mass "493.596" ; chebi:monoisotopicmass "493.25767" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104386" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-[cyclopropyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104387 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-26(31)28-22-12-13-23-24(14-22)34-18-20(3)30(16-21-10-8-7-9-11-21)15-19(2)25(33-5)17-29(4)27(23)32/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20-,25+/m0/s1" ; chebi:inchikey "YJDVPIUPODSEFW-ZYLNGJIFSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)CC3CCCCC3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104387" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104388 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H39N3O6" ; chebi:inchi "InChI=1S/C26H39N3O6/c1-6-24(30)29-14-17(2)23(33-5)15-28(4)26(32)21-8-7-20(13-22(21)35-16-18(29)3)27-25(31)19-9-11-34-12-10-19/h7-8,13,17-19,23H,6,9-12,14-16H2,1-5H3,(H,27,31)/t17-,18+,23+/m1/s1" ; chebi:inchikey "MDHLDPDUZLKUJE-STSQHVNTSA-N" ; chebi:mass "489.605" ; chebi:monoisotopicmass "489.28389" ; chebi:smiles "CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3CCOCC3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104388" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_104389 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H36N4O6S" ; chebi:inchi "InChI=1S/C22H36N4O6S/c1-14(2)23-22(28)26-11-15(3)20(31-6)12-25(5)21(27)18-10-17(24-33(7,29)30)8-9-19(18)32-13-16(26)4/h8-10,14-16,20,24H,11-13H2,1-7H3,(H,23,28)/t15-,16+,20-/m0/s1" ; chebi:inchikey "VUTYSYZKXJFCMD-YRNRMSPPSA-N" ; chebi:mass "484.611" ; chebi:monoisotopicmass "484.23556" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104389" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7S,8R)-14-(methanesulfonamido)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_10439 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38922 ; chebi:charge "0" ; chebi:formula "C15H14O5" ; chebi:inchi "InChI=1S/C15H14O5/c1-17-12-10-8-6-4-5-7-9(8)20-13(10)15(19-3)11(16)14(12)18-2/h4-7,16H,1-3H3" ; chebi:inchikey "XLCIGBDZQKRLPH-UHFFFAOYSA-N" ; chebi:mass "274.269" ; chebi:monoisotopicmass "274.08412" ; chebi:smiles "COc1c(O)c(OC)c2oc3ccccc3c2c1OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10439" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-pyrufuran" . obo:CHEBI_104390 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H36FN3O4" ; chebi:inchi "InChI=1S/C28H36FN3O4/c1-18-14-32(15-20-6-5-7-22(29)12-20)19(2)17-36-25-13-23(30-27(33)21-8-9-21)10-11-24(25)28(34)31(3)16-26(18)35-4/h5-7,10-13,18-19,21,26H,8-9,14-17H2,1-4H3,(H,30,33)/t18-,19+,26+/m1/s1" ; chebi:inchikey "FZYPJVOXNKMGKY-MVYHEMRASA-N" ; chebi:mass "497.603" ; chebi:monoisotopicmass "497.26898" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104390" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_104391 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H33N3O8S" ; chebi:inchi "InChI=1S/C26H33N3O8S/c1-16-12-29(25(30)18-6-9-21-23(10-18)37-15-36-21)17(2)14-35-22-11-19(27-38(5,32)33)7-8-20(22)26(31)28(3)13-24(16)34-4/h6-11,16-17,24,27H,12-15H2,1-5H3/t16-,17+,24-/m0/s1" ; chebi:inchikey "JZGYUICVYOVPMO-SRGWNRLKSA-N" ; chebi:mass "547.623" ; chebi:monoisotopicmass "547.19884" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104391" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104392 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H39N3O4" ; chebi:inchi "InChI=1S/C25H39N3O4/c1-6-12-28-14-17(2)23(31-5)15-27(4)25(30)21-13-20(26-24(29)19-8-7-9-19)10-11-22(21)32-16-18(28)3/h10-11,13,17-19,23H,6-9,12,14-16H2,1-5H3,(H,26,29)/t17-,18-,23+/m1/s1" ; chebi:inchikey "JELNQRUVVFGWSZ-PNCHPQGNSA-N" ; chebi:mass "445.596" ; chebi:monoisotopicmass "445.29406" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CCC3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104392" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_104393 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O5" ; chebi:inchi "InChI=1S/C24H37N3O5/c1-16-13-26(3)17(2)15-32-21-12-19(25-23(28)18-8-10-31-11-9-18)6-7-20(21)24(29)27(4)14-22(16)30-5/h6-7,12,16-18,22H,8-11,13-15H2,1-5H3,(H,25,28)/t16-,17-,22+/m0/s1" ; chebi:inchikey "TVGROYRLGTWDMS-PNLZDCPESA-N" ; chebi:mass "447.569" ; chebi:monoisotopicmass "447.27332" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104393" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_104394 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34N4O5S" ; chebi:inchi "InChI=1S/C24H34N4O5S/c1-17-13-28(14-20-8-6-7-11-25-20)18(2)16-33-22-12-19(26-34(5,30)31)9-10-21(22)24(29)27(3)15-23(17)32-4/h6-12,17-18,23,26H,13-16H2,1-5H3/t17-,18-,23+/m0/s1" ; chebi:inchikey "VKVFXZDQZTZVBL-IUKKYPGJSA-N" ; chebi:mass "490.618" ; chebi:monoisotopicmass "490.22499" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104394" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104395 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H36N4O6S" ; chebi:inchi "InChI=1S/C22H36N4O6S/c1-14(2)23-22(28)26-11-15(3)20(31-6)12-25(5)21(27)18-10-17(24-33(7,29)30)8-9-19(18)32-13-16(26)4/h8-10,14-16,20,24H,11-13H2,1-7H3,(H,23,28)/t15-,16-,20-/m0/s1" ; chebi:inchikey "VUTYSYZKXJFCMD-FTRWYGJKSA-N" ; chebi:mass "484.611" ; chebi:monoisotopicmass "484.23556" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104395" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7S,8R)-14-(methanesulfonamido)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_104396 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H36N4O5" ; chebi:inchi "InChI=1S/C23H36N4O5/c1-15-11-27(22(29)13-25(4)5)16(2)14-32-20-10-18(24-17(3)28)8-9-19(20)23(30)26(6)12-21(15)31-7/h8-10,15-16,21H,11-14H2,1-7H3,(H,24,28)/t15-,16-,21-/m1/s1" ; chebi:inchikey "ORSJUXOXPPDIAU-WHSLLNHNSA-N" ; chebi:mass "448.557" ; chebi:monoisotopicmass "448.26857" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104396" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104397 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O6" ; chebi:inchi "InChI=1S/C25H34N4O6/c1-7-23(30)29-12-15(2)22(33-6)13-28(5)25(32)19-9-8-18(11-21(19)34-14-16(29)3)26-24(31)20-10-17(4)35-27-20/h8-11,15-16,22H,7,12-14H2,1-6H3,(H,26,31)/t15-,16-,22+/m0/s1" ; chebi:inchikey "ILZDYFIBDLQWDD-PONJGIIJSA-N" ; chebi:mass "486.562" ; chebi:monoisotopicmass "486.24783" ; chebi:smiles "CCC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104397" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_104398 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34N4O5S" ; chebi:inchi "InChI=1S/C24H34N4O5S/c1-17-13-28(14-20-8-6-7-11-25-20)18(2)16-33-22-12-19(26-34(5,30)31)9-10-21(22)24(29)27(3)15-23(17)32-4/h6-12,17-18,23,26H,13-16H2,1-5H3/t17-,18-,23+/m1/s1" ; chebi:inchikey "VKVFXZDQZTZVBL-PNCHPQGNSA-N" ; chebi:mass "490.618" ; chebi:monoisotopicmass "490.22499" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104398" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104399 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-15(2)28-23(33)29-18-7-8-20-19(11-18)22(32)30(5)13-21(34-6)16(3)12-31(17(4)14-35-20)10-9-24(25,26)27/h7-8,11,15-17,21H,9-10,12-14H2,1-6H3,(H2,28,29,33)/t16-,17+,21-/m1/s1" ; chebi:inchikey "LWXKGGIJWSHZGV-LLGFUMIMSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104399" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_1044 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28200 ; owl:deprecated true . obo:CHEBI_10440 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35189 ; rdfs:subClassOf obo:CHEBI_35714 ; rdfs:subClassOf obo:CHEBI_35990 ; rdfs:subClassOf obo:CHEBI_36785 . _:b314 rdf:type owl:Restriction . obo:CHEBI_10440 rdfs:subClassOf _:b314 . _:b314 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . obo:CHEBI_10440 obo:IAO_0000115 "A sesquiterpene and carbobicyclic compound that is bicyclo[2.2.1]heptane in which the hydrogens at position 3 are substituted by a methylidene group, while the 2-exo- and 2-endo- hydrogens are subsitituted by 2-methylpent-2-en-5-yl and methyl groups, respectively (the 1S,2R,4R enantiomer)." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m1/s1" ; chebi:inchikey "PGBNIHXXFQBCPU-ILXRZTDVSA-N" ; chebi:mass "204.35110" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "CC(C)=CCC[C@]1(C)[C@H]2CC[C@H](C2)C1=C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10440" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(-)-beta-santalene" . obo:CHEBI_104400 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-17-32(15-14-22-8-6-5-7-9-22)21(2)19-36-26-13-12-24(30-28(33)23-10-11-23)16-25(26)29(34)31(3)18-27(20)35-4/h5-9,12-13,16,20-21,23,27H,10-11,14-15,17-19H2,1-4H3,(H,30,33)/t20-,21+,27+/m0/s1" ; chebi:inchikey "PRTUIZBAVMDHAZ-FYQCMVGJSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104400" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_104401 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-17-32(15-14-22-8-6-5-7-9-22)21(2)19-36-26-13-12-24(30-28(33)23-10-11-23)16-25(26)29(34)31(3)18-27(20)35-4/h5-9,12-13,16,20-21,23,27H,10-11,14-15,17-19H2,1-4H3,(H,30,33)/t20-,21-,27+/m1/s1" ; chebi:inchikey "PRTUIZBAVMDHAZ-GNMOFYLKSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104401" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_104402 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O4" ; chebi:inchi "InChI=1S/C27H36FN3O4/c1-6-13-31-15-18(2)25(34-5)16-30(4)27(33)23-12-11-22(14-24(23)35-17-19(31)3)29-26(32)20-7-9-21(28)10-8-20/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H,29,32)/t18-,19+,25+/m0/s1" ; chebi:inchikey "QPDYUGYUVJBCGY-OSWQYVSFSA-N" ; chebi:mass "485.592" ; chebi:monoisotopicmass "485.26898" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104402" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104403 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(26(33)20-8-6-7-9-22(20)27)17(2)15-35-23-12-19(28-18(3)31)10-11-21(23)25(32)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,31)/t16-,17-,24-/m1/s1" ; chebi:inchikey "JPQILOCSRFKHEV-HOZJOUCCSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104403" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104404 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N5O4" ; chebi:inchi "InChI=1S/C23H31N5O4/c1-15-12-27(3)16(2)14-32-20-10-17(26-22(29)19-11-24-8-9-25-19)6-7-18(20)23(30)28(4)13-21(15)31-5/h6-11,15-16,21H,12-14H2,1-5H3,(H,26,29)/t15-,16-,21-/m1/s1" ; chebi:inchikey "WHHUAOMDORXOMQ-WHSLLNHNSA-N" ; chebi:mass "441.524" ; chebi:monoisotopicmass "441.23760" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104404" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_104405 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H33N3O8S" ; chebi:inchi "InChI=1S/C26H33N3O8S/c1-16-12-29(25(30)18-6-9-21-23(10-18)37-15-36-21)17(2)14-35-22-11-19(27-38(5,32)33)7-8-20(22)26(31)28(3)13-24(16)34-4/h6-11,16-17,24,27H,12-15H2,1-5H3/t16-,17+,24-/m1/s1" ; chebi:inchikey "JZGYUICVYOVPMO-XVTZWQNCSA-N" ; chebi:mass "547.623" ; chebi:monoisotopicmass "547.19884" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104405" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104406 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H39N3O6" ; chebi:inchi "InChI=1S/C26H39N3O6/c1-17-13-29(25(31)19-8-6-7-9-19)18(2)15-35-22-12-20(27-24(30)16-33-4)10-11-21(22)26(32)28(3)14-23(17)34-5/h10-12,17-19,23H,6-9,13-16H2,1-5H3,(H,27,30)/t17-,18+,23+/m1/s1" ; chebi:inchikey "ODEBYALMHVNZLV-STSQHVNTSA-N" ; chebi:mass "489.605" ; chebi:monoisotopicmass "489.28389" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104406" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-[cyclopentyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_104407 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H37N3O5" ; chebi:inchi "InChI=1S/C23H37N3O5/c1-7-10-26-12-16(2)21(30-6)13-25(4)23(28)19-11-18(24-22(27)15-29-5)8-9-20(19)31-14-17(26)3/h8-9,11,16-17,21H,7,10,12-15H2,1-6H3,(H,24,27)/t16-,17-,21+/m0/s1" ; chebi:inchikey "ZSTCKDKDRWVGTF-XGHQBKJUSA-N" ; chebi:mass "435.558" ; chebi:monoisotopicmass "435.27332" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)COC)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104407" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104408 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H41N3O5" ; chebi:inchi "InChI=1S/C26H41N3O5/c1-6-25(30)27-21-7-8-23-22(13-21)26(31)28(4)16-24(32-5)18(2)14-29(19(3)17-34-23)15-20-9-11-33-12-10-20/h7-8,13,18-20,24H,6,9-12,14-17H2,1-5H3,(H,27,30)/t18-,19-,24+/m0/s1" ; chebi:inchikey "WMGIIIYIYFXVGX-AXHZCLLHSA-N" ; chebi:mass "475.622" ; chebi:monoisotopicmass "475.30462" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3CCOCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104408" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104409 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34N4O5S" ; chebi:inchi "InChI=1S/C24H34N4O5S/c1-17-13-28(14-20-8-6-7-11-25-20)18(2)16-33-22-12-19(26-34(5,30)31)9-10-21(22)24(29)27(3)15-23(17)32-4/h6-12,17-18,23,26H,13-16H2,1-5H3/t17-,18-,23-/m1/s1" ; chebi:inchikey "VKVFXZDQZTZVBL-PMAPCBKXSA-N" ; chebi:mass "490.618" ; chebi:monoisotopicmass "490.22499" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104409" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_10441 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25590 ; rdfs:subClassOf obo:CHEBI_33911 ; chebi:charge "0" ; chebi:formula "C15H24O" ; chebi:inchi "InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15+/m1/s1" ; chebi:inchikey "OJYKYCDSGQGTRJ-GQYWAMEOSA-N" ; chebi:mass "220.35046" ; chebi:monoisotopicmass "220.18272" ; chebi:smiles "C\\C(CO)=C\\CC[C@]1(C)[C@H]2CC[C@H](C2)C1=C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10441" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-santalol" . obo:CHEBI_104410 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N5O4" ; chebi:inchi "InChI=1S/C23H31N5O4/c1-15-12-27(3)16(2)14-32-20-10-17(26-22(29)19-11-24-8-9-25-19)6-7-18(20)23(30)28(4)13-21(15)31-5/h6-11,15-16,21H,12-14H2,1-5H3,(H,26,29)/t15-,16+,21-/m1/s1" ; chebi:inchikey "WHHUAOMDORXOMQ-VWKPWSFCSA-N" ; chebi:mass "441.524" ; chebi:monoisotopicmass "441.23760" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104410" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_104411 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-17-13-30(26(33)21-8-6-7-11-27-21)18(2)15-36-22-12-19(28-24(31)16-34-4)9-10-20(22)25(32)29(3)14-23(17)35-5/h6-12,17-18,23H,13-16H2,1-5H3,(H,28,31)/t17-,18+,23+/m1/s1" ; chebi:inchikey "UPGINRWREGYSMW-STSQHVNTSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104411" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104412 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35FN4O5" ; chebi:inchi "InChI=1S/C28H35FN4O5/c1-17-14-33(26(34)19-8-9-19)18(2)16-38-24-11-10-22(13-23(24)27(35)32(3)15-25(17)37-4)31-28(36)30-21-7-5-6-20(29)12-21/h5-7,10-13,17-19,25H,8-9,14-16H2,1-4H3,(H2,30,31,36)/t17-,18+,25-/m0/s1" ; chebi:inchikey "UCDDDGMWGBQWAH-ATLLOTDBSA-N" ; chebi:mass "526.601" ; chebi:monoisotopicmass "526.25915" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104412" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_104413 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H35N5O4S" ; chebi:inchi "InChI=1S/C31H35N5O4S/c1-20-16-36(17-22-8-7-13-32-15-22)21(2)19-40-26-14-23(11-12-24(26)31(38)35(3)18-27(20)39-4)33-29(37)30-34-25-9-5-6-10-28(25)41-30/h5-15,20-21,27H,16-19H2,1-4H3,(H,33,37)/t20-,21+,27-/m0/s1" ; chebi:inchikey "HCXQDEKJJPGAJR-ISCCLHIJSA-N" ; chebi:mass "573.708" ; chebi:monoisotopicmass "573.24098" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104413" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_104414 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H36N4O5" ; chebi:inchi "InChI=1S/C23H36N4O5/c1-15-11-27(22(29)13-25(4)5)16(2)14-32-20-10-18(24-17(3)28)8-9-19(20)23(30)26(6)12-21(15)31-7/h8-10,15-16,21H,11-14H2,1-7H3,(H,24,28)/t15-,16-,21-/m0/s1" ; chebi:inchikey "ORSJUXOXPPDIAU-QYWGDWMGSA-N" ; chebi:mass "448.557" ; chebi:monoisotopicmass "448.26857" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104414" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104415 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35FN4O5" ; chebi:inchi "InChI=1S/C28H35FN4O5/c1-17-14-33(26(34)19-8-9-19)18(2)16-38-24-11-10-22(13-23(24)27(35)32(3)15-25(17)37-4)31-28(36)30-21-7-5-6-20(29)12-21/h5-7,10-13,17-19,25H,8-9,14-16H2,1-4H3,(H2,30,31,36)/t17-,18+,25-/m1/s1" ; chebi:inchikey "UCDDDGMWGBQWAH-FUMQJTLXSA-N" ; chebi:mass "526.601" ; chebi:monoisotopicmass "526.25915" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104415" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_104416 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H34N4O4" ; chebi:inchi "InChI=1S/C21H34N4O4/c1-13(2)23-21(27)24-16-7-8-18-17(9-16)20(26)25(5)11-19(28-6)14(3)10-22-15(4)12-29-18/h7-9,13-15,19,22H,10-12H2,1-6H3,(H2,23,24,27)/t14-,15+,19+/m0/s1" ; chebi:inchikey "PXLHMJKVTIIEQJ-QMTMVMCOSA-N" ; chebi:mass "406.520" ; chebi:monoisotopicmass "406.25801" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104416" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104417 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H37N3O5" ; chebi:inchi "InChI=1S/C23H37N3O5/c1-7-10-26-12-16(2)21(30-6)13-25(4)23(28)19-11-18(24-22(27)15-29-5)8-9-20(19)31-14-17(26)3/h8-9,11,16-17,21H,7,10,12-15H2,1-6H3,(H,24,27)/t16-,17-,21-/m0/s1" ; chebi:inchikey "ZSTCKDKDRWVGTF-FIKGOQFSSA-N" ; chebi:mass "435.558" ; chebi:monoisotopicmass "435.27332" ; chebi:smiles "CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)COC)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104417" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104418 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O4" ; chebi:inchi "InChI=1S/C27H36FN3O4/c1-6-13-31-15-18(2)25(34-5)16-30(4)27(33)23-12-11-22(14-24(23)35-17-19(31)3)29-26(32)20-7-9-21(28)10-8-20/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H,29,32)/t18-,19+,25-/m0/s1" ; chebi:inchikey "QPDYUGYUVJBCGY-CEYNDMKZSA-N" ; chebi:mass "485.592" ; chebi:monoisotopicmass "485.26898" ; chebi:smiles "CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104418" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104419 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H35N5O4S" ; chebi:inchi "InChI=1S/C31H35N5O4S/c1-20-16-36(17-22-8-7-13-32-15-22)21(2)19-40-26-14-23(11-12-24(26)31(38)35(3)18-27(20)39-4)33-29(37)30-34-25-9-5-6-10-28(25)41-30/h5-15,20-21,27H,16-19H2,1-4H3,(H,33,37)/t20-,21+,27+/m0/s1" ; chebi:inchikey "HCXQDEKJJPGAJR-FYQCMVGJSA-N" ; chebi:mass "573.708" ; chebi:monoisotopicmass "573.24098" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@H]1OC)C)C)CC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104419" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_10442 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28356 ; owl:deprecated true . obo:CHEBI_104420 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H41N3O5" ; chebi:inchi "InChI=1S/C26H41N3O5/c1-6-25(30)27-21-7-8-23-22(13-21)26(31)28(4)16-24(32-5)18(2)14-29(19(3)17-34-23)15-20-9-11-33-12-10-20/h7-8,13,18-20,24H,6,9-12,14-17H2,1-5H3,(H,27,30)/t18-,19-,24+/m1/s1" ; chebi:inchikey "WMGIIIYIYFXVGX-IECBHUPTSA-N" ; chebi:mass "475.622" ; chebi:monoisotopicmass "475.30462" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3CCOCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104420" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104421 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O4" ; chebi:inchi "InChI=1S/C28H37N3O4/c1-19-15-31(16-21-10-11-21)20(2)18-35-25-13-12-23(29-27(32)22-8-6-5-7-9-22)14-24(25)28(33)30(3)17-26(19)34-4/h5-9,12-14,19-21,26H,10-11,15-18H2,1-4H3,(H,29,32)/t19-,20+,26-/m1/s1" ; chebi:inchikey "WREZSNUYDZQHHD-BVFVYWQFSA-N" ; chebi:mass "479.612" ; chebi:monoisotopicmass "479.27841" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104421" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104422 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H39N3O6" ; chebi:inchi "InChI=1S/C26H39N3O6/c1-17-13-29(25(31)19-8-6-7-9-19)18(2)15-35-22-12-20(27-24(30)16-33-4)10-11-21(22)26(32)28(3)14-23(17)34-5/h10-12,17-19,23H,6-9,13-16H2,1-5H3,(H,27,30)/t17-,18-,23+/m1/s1" ; chebi:inchikey "ODEBYALMHVNZLV-PNCHPQGNSA-N" ; chebi:mass "489.605" ; chebi:monoisotopicmass "489.28389" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104422" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[cyclopentyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_104423 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H41N3O5S" ; chebi:inchi "InChI=1S/C25H41N3O5S/c1-6-34(30,31)26-21-11-12-23-22(13-21)25(29)27(4)16-24(32-5)18(2)14-28(19(3)17-33-23)15-20-9-7-8-10-20/h11-13,18-20,24,26H,6-10,14-17H2,1-5H3/t18-,19-,24-/m1/s1" ; chebi:inchikey "CQIKJOZGEFZHGH-KHCICDEESA-N" ; chebi:mass "495.677" ; chebi:monoisotopicmass "495.27669" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104423" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_104424 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O6" ; chebi:inchi "InChI=1S/C25H34N4O6/c1-7-23(30)29-12-15(2)22(33-6)13-28(5)25(32)19-9-8-18(11-21(19)34-14-16(29)3)26-24(31)20-10-17(4)35-27-20/h8-11,15-16,22H,7,12-14H2,1-6H3,(H,26,31)/t15-,16+,22+/m1/s1" ; chebi:inchikey "ILZDYFIBDLQWDD-VVBPWWLESA-N" ; chebi:mass "486.562" ; chebi:monoisotopicmass "486.24783" ; chebi:smiles "CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104424" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_104425 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H41N3O5S" ; chebi:inchi "InChI=1S/C25H41N3O5S/c1-6-34(30,31)26-21-11-12-23-22(13-21)25(29)27(4)16-24(32-5)18(2)14-28(19(3)17-33-23)15-20-9-7-8-10-20/h11-13,18-20,24,26H,6-10,14-17H2,1-5H3/t18-,19-,24-/m0/s1" ; chebi:inchikey "CQIKJOZGEFZHGH-JXQFQVJHSA-N" ; chebi:mass "495.677" ; chebi:monoisotopicmass "495.27669" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104425" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_104426 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-26(31)28-22-12-13-23-24(14-22)34-18-20(3)30(16-21-10-8-7-9-11-21)15-19(2)25(33-5)17-29(4)27(23)32/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20+,25+/m0/s1" ; chebi:inchikey "YJDVPIUPODSEFW-WZOHSFFVSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@@H](CO2)C)CC3CCCCC3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104426" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104427 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-17-13-30(26(33)21-8-6-7-11-27-21)18(2)15-36-22-12-19(28-24(31)16-34-4)9-10-20(22)25(32)29(3)14-23(17)35-5/h6-12,17-18,23H,13-16H2,1-5H3,(H,28,31)/t17-,18-,23+/m0/s1" ; chebi:inchikey "UPGINRWREGYSMW-IUKKYPGJSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104427" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104428 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-17-32(15-14-22-8-6-5-7-9-22)21(2)19-36-26-13-12-24(30-28(33)23-10-11-23)16-25(26)29(34)31(3)18-27(20)35-4/h5-9,12-13,16,20-21,23,27H,10-11,14-15,17-19H2,1-4H3,(H,30,33)/t20-,21-,27-/m0/s1" ; chebi:inchikey "PRTUIZBAVMDHAZ-IZVMNLJQSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104428" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_104429 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O5" ; chebi:inchi "InChI=1S/C24H38N4O5/c1-7-11-25-24(31)26-18-9-10-20-19(12-18)23(30)27(5)14-21(32-6)16(3)13-28(22(29)8-2)17(4)15-33-20/h9-10,12,16-17,21H,7-8,11,13-15H2,1-6H3,(H2,25,26,31)/t16-,17+,21-/m0/s1" ; chebi:inchikey "WKMZWDZZZDEYCM-FVJLSDCUSA-N" ; chebi:mass "462.583" ; chebi:monoisotopicmass "462.28422" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104429" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_10443 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_49276 . _:b315 rdf:type owl:Restriction . obo:CHEBI_10443 rdfs:subClassOf _:b315 . _:b315 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_49274 . obo:CHEBI_10443 obo:IAO_0000115 "An optically active form of beta-selinene having (+)-(4aR,7R,8aS)-configuration." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1" ; chebi:inchikey "YOVSPTNQHMDJAG-QLFBSQMISA-N" ; chebi:mass "204.35110" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "[H][C@]1(CC[C@@]2(C)CCCC(=C)[C@]2([H])C1)C(C)=C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10443" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(+)-beta-selinene" . obo:CHEBI_104430 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H37N3O5" ; chebi:inchi "InChI=1S/C23H37N3O5/c1-7-10-26-12-16(2)21(30-6)13-25(4)23(28)19-11-18(24-22(27)15-29-5)8-9-20(19)31-14-17(26)3/h8-9,11,16-17,21H,7,10,12-15H2,1-6H3,(H,24,27)/t16-,17-,21+/m1/s1" ; chebi:inchikey "ZSTCKDKDRWVGTF-LZJOCLMNSA-N" ; chebi:mass "435.558" ; chebi:monoisotopicmass "435.27332" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)COC)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104430" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104431 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O5" ; chebi:inchi "InChI=1S/C25H34N4O5/c1-16-13-26-17(2)15-34-22-11-8-19(12-21(22)24(30)29(3)14-23(16)33-5)28-25(31)27-18-6-9-20(32-4)10-7-18/h6-12,16-17,23,26H,13-15H2,1-5H3,(H2,27,28,31)/t16-,17-,23+/m0/s1" ; chebi:inchikey "PJDHXRQRCWLMLV-HKARXFIJSA-N" ; chebi:mass "470.562" ; chebi:monoisotopicmass "470.25292" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104431" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-methoxyphenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104432 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H39N3O4" ; chebi:inchi "InChI=1S/C25H39N3O4/c1-6-12-28-14-17(2)23(31-5)15-27(4)25(30)21-13-20(26-24(29)19-8-7-9-19)10-11-22(21)32-16-18(28)3/h10-11,13,17-19,23H,6-9,12,14-16H2,1-5H3,(H,26,29)/t17-,18+,23+/m1/s1" ; chebi:inchikey "JELNQRUVVFGWSZ-STSQHVNTSA-N" ; chebi:mass "445.596" ; chebi:monoisotopicmass "445.29406" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CCC3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104432" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_104433 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H41N3O4" ; chebi:inchi "InChI=1S/C26H41N3O4/c1-18-14-29(15-21-9-7-6-8-10-21)19(2)17-33-24-12-11-22(27-20(3)30)13-23(24)26(31)28(4)16-25(18)32-5/h11-13,18-19,21,25H,6-10,14-17H2,1-5H3,(H,27,30)/t18-,19+,25-/m1/s1" ; chebi:inchikey "YEIJZPFIQUPCSE-HHJKRLRDSA-N" ; chebi:mass "459.622" ; chebi:monoisotopicmass "459.30971" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104433" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104434 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H36N4O5" ; chebi:inchi "InChI=1S/C23H36N4O5/c1-15-11-27(22(29)13-25(4)5)16(2)14-32-20-10-18(24-17(3)28)8-9-19(20)23(30)26(6)12-21(15)31-7/h8-10,15-16,21H,11-14H2,1-7H3,(H,24,28)/t15-,16+,21-/m1/s1" ; chebi:inchikey "ORSJUXOXPPDIAU-VWKPWSFCSA-N" ; chebi:mass "448.557" ; chebi:monoisotopicmass "448.26857" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104434" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104435 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(26(33)20-8-6-7-9-22(20)27)17(2)15-35-23-12-19(28-18(3)31)10-11-21(23)25(32)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,31)/t16-,17-,24+/m0/s1" ; chebi:inchikey "JPQILOCSRFKHEV-WOGXIUBCSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104435" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104436 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H33N5O5S" ; chebi:inchi "InChI=1S/C22H33N5O5S/c1-15-10-26(4)16(2)13-32-19-8-7-17(24-33(29,30)21-12-25(3)14-23-21)9-18(19)22(28)27(5)11-20(15)31-6/h7-9,12,14-16,20,24H,10-11,13H2,1-6H3/t15-,16-,20+/m1/s1" ; chebi:inchikey "SSHPSTSVPAJXGJ-QINHECLXSA-N" ; chebi:mass "479.595" ; chebi:monoisotopicmass "479.22024" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104436" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_104437 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N3O5" ; chebi:inchi "InChI=1S/C25H37N3O5/c1-16-13-28(18(3)29)17(2)15-33-22-11-10-20(26-24(30)19-8-6-7-9-19)12-21(22)25(31)27(4)14-23(16)32-5/h10-12,16-17,19,23H,6-9,13-15H2,1-5H3,(H,26,30)/t16-,17+,23-/m0/s1" ; chebi:inchikey "YOWCQSGRJVNXNF-MFEFFIJZSA-N" ; chebi:mass "459.579" ; chebi:monoisotopicmass "459.27332" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104437" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_104438 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H35N5O4S" ; chebi:inchi "InChI=1S/C31H35N5O4S/c1-20-16-36(17-22-8-7-13-32-15-22)21(2)19-40-26-14-23(11-12-24(26)31(38)35(3)18-27(20)39-4)33-29(37)30-34-25-9-5-6-10-28(25)41-30/h5-15,20-21,27H,16-19H2,1-4H3,(H,33,37)/t20-,21+,27-/m1/s1" ; chebi:inchikey "HCXQDEKJJPGAJR-PBDKAQRYSA-N" ; chebi:mass "573.708" ; chebi:monoisotopicmass "573.24098" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@H]1OC)C)C)CC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104438" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_104439 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H38N6O4" ; chebi:inchi "InChI=1S/C26H38N6O4/c1-17(2)29-26(34)30-21-7-8-23-22(9-21)25(33)31(5)14-24(35-6)18(3)12-32(19(4)15-36-23)13-20-10-27-16-28-11-20/h7-11,16-19,24H,12-15H2,1-6H3,(H2,29,30,34)/t18-,19-,24+/m0/s1" ; chebi:inchikey "DRUGZYWRQAVALM-AXHZCLLHSA-N" ; chebi:mass "498.619" ; chebi:monoisotopicmass "498.29545" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104439" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_10444 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H22O" ; chebi:inchi "InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+" ; chebi:inchikey "NOPLRNXKHZRXHT-YFVJMOTDSA-N" ; chebi:mass "218.335" ; chebi:monoisotopicmass "218.16707" ; chebi:smiles "C\\C(CC\\C=C(/C)C=O)=C/CCC(=C)C=C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10444" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-Sinensal" . obo:CHEBI_104440 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-7-8-24-23(14-22)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-21-9-12-28-13-10-21/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25-/m1/s1" ; chebi:inchikey "DCHCVUMEJAAHBI-OHUGHZGNSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104440" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104441 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O4" ; chebi:inchi "InChI=1S/C25H34N4O4/c1-17-13-29(14-20-7-6-10-26-12-20)18(2)16-33-23-9-8-21(27-19(3)30)11-22(23)25(31)28(4)15-24(17)32-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,27,30)/t17-,18-,24+/m0/s1" ; chebi:inchikey "POIAECOHAGPJOS-LLJLJFOGSA-N" ; chebi:mass "454.563" ; chebi:monoisotopicmass "454.25801" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104441" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104442 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H33N5O5S" ; chebi:inchi "InChI=1S/C22H33N5O5S/c1-15-10-26(4)16(2)13-32-19-8-7-17(24-33(29,30)21-12-25(3)14-23-21)9-18(19)22(28)27(5)11-20(15)31-6/h7-9,12,14-16,20,24H,10-11,13H2,1-6H3/t15-,16+,20+/m0/s1" ; chebi:inchikey "SSHPSTSVPAJXGJ-RZQQEMMASA-N" ; chebi:mass "479.595" ; chebi:monoisotopicmass "479.22024" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104442" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_104443 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O4" ; chebi:inchi "InChI=1S/C27H36FN3O4/c1-6-13-31-15-18(2)25(34-5)16-30(4)27(33)23-12-11-22(14-24(23)35-17-19(31)3)29-26(32)20-7-9-21(28)10-8-20/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H,29,32)/t18-,19+,25-/m1/s1" ; chebi:inchikey "QPDYUGYUVJBCGY-HHJKRLRDSA-N" ; chebi:mass "485.592" ; chebi:monoisotopicmass "485.26898" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104443" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104444 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H38N4O7S" ; chebi:inchi "InChI=1S/C31H38N4O7S/c1-21-18-35(30(36)14-23-8-7-13-32-17-23)22(2)20-42-28-15-24(11-12-27(28)31(37)34(3)19-29(21)41-5)33-43(38,39)26-10-6-9-25(16-26)40-4/h6-13,15-17,21-22,29,33H,14,18-20H2,1-5H3/t21-,22-,29+/m1/s1" ; chebi:inchikey "CTXMNAKEZUVJQX-QLVXXPONSA-N" ; chebi:mass "610.723" ; chebi:monoisotopicmass "610.24612" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104444" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_104445 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N3O5" ; chebi:inchi "InChI=1S/C25H37N3O5/c1-16-13-28(18(3)29)17(2)15-33-22-11-10-20(26-24(30)19-8-6-7-9-19)12-21(22)25(31)27(4)14-23(16)32-5/h10-12,16-17,19,23H,6-9,13-15H2,1-5H3,(H,26,30)/t16-,17-,23-/m0/s1" ; chebi:inchikey "YOWCQSGRJVNXNF-QQMNAOGKSA-N" ; chebi:mass "459.579" ; chebi:monoisotopicmass "459.27332" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104445" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_104446 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-15(2)28-23(33)29-18-7-8-20-19(11-18)22(32)30(5)13-21(34-6)16(3)12-31(17(4)14-35-20)10-9-24(25,26)27/h7-8,11,15-17,21H,9-10,12-14H2,1-6H3,(H2,28,29,33)/t16-,17-,21+/m0/s1" ; chebi:inchikey "LWXKGGIJWSHZGV-XGHQBKJUSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104446" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104447 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H34N4O4" ; chebi:inchi "InChI=1S/C21H34N4O4/c1-13(2)23-21(27)24-16-7-8-18-17(9-16)20(26)25(5)11-19(28-6)14(3)10-22-15(4)12-29-18/h7-9,13-15,19,22H,10-12H2,1-6H3,(H2,23,24,27)/t14-,15-,19-/m0/s1" ; chebi:inchikey "PXLHMJKVTIIEQJ-DOXZYTNZSA-N" ; chebi:mass "406.520" ; chebi:monoisotopicmass "406.25801" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104447" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104448 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C20H31N3O5" ; chebi:inchi "InChI=1S/C20H31N3O5/c1-13-9-21-14(2)11-28-17-7-6-15(22-19(24)12-26-4)8-16(17)20(25)23(3)10-18(13)27-5/h6-8,13-14,18,21H,9-12H2,1-5H3,(H,22,24)/t13-,14-,18-/m0/s1" ; chebi:inchikey "JPYQBBUSLGAIKR-DEYYWGMASA-N" ; chebi:mass "393.478" ; chebi:monoisotopicmass "393.22637" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104448" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104449 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O4" ; chebi:inchi "InChI=1S/C27H36FN3O4/c1-6-13-31-15-18(2)25(34-5)16-30(4)27(33)23-12-11-22(14-24(23)35-17-19(31)3)29-26(32)20-7-9-21(28)10-8-20/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H,29,32)/t18-,19-,25+/m0/s1" ; chebi:inchikey "QPDYUGYUVJBCGY-XHNVNVPESA-N" ; chebi:mass "485.592" ; chebi:monoisotopicmass "485.26898" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104449" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_10445 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C11H21N" ; chebi:inchi "InChI=1S/C11H21N/c1-8-4-5-10-9(2)6-12(3)7-11(8)10/h8-11H,4-7H2,1-3H3/t8-,9+,10+,11-/m0/s1" ; chebi:inchikey "HGTMGCDIPYGVKA-ZDCRXTMVSA-N" ; chebi:mass "167.292" ; chebi:monoisotopicmass "167.16740" ; chebi:smiles "C[C@H]1CC[C@H]2[C@H]1CN(C)C[C@H]2C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10445" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-Skytanthine" . obo:CHEBI_104450 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-17-32(15-14-22-8-6-5-7-9-22)21(2)19-36-26-13-12-24(30-28(33)23-10-11-23)16-25(26)29(34)31(3)18-27(20)35-4/h5-9,12-13,16,20-21,23,27H,10-11,14-15,17-19H2,1-4H3,(H,30,33)/t20-,21+,27-/m0/s1" ; chebi:inchikey "PRTUIZBAVMDHAZ-ISCCLHIJSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104450" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_104451 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-17-13-30(24(31)15-28(3)4)18(2)16-35-22-12-20(27-25(32)19-8-7-9-19)10-11-21(22)26(33)29(5)14-23(17)34-6/h10-12,17-19,23H,7-9,13-16H2,1-6H3,(H,27,32)/t17-,18-,23+/m0/s1" ; chebi:inchikey "OGUHNRNBJHRPNW-IUKKYPGJSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104451" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_104452 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H35N3O5S" ; chebi:inchi "InChI=1S/C21H35N3O5S/c1-7-10-24-12-15(2)20(28-5)13-23(4)21(25)18-11-17(22-30(6,26)27)8-9-19(18)29-14-16(24)3/h8-9,11,15-16,20,22H,7,10,12-14H2,1-6H3/t15-,16-,20+/m0/s1" ; chebi:inchikey "GJWLNKOJEVXCCA-TWOQFEAHSA-N" ; chebi:mass "441.587" ; chebi:monoisotopicmass "441.22974" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104452" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104453 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-12-29-27(34)30-21-10-11-24-23(14-21)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-22-9-7-8-13-28-22/h7-11,13-14,19-20,25H,6,12,15-18H2,1-5H3,(H2,29,30,34)/t19-,20-,25-/m0/s1" ; chebi:inchikey "FHXMSJACTAYBFY-RLSLOFABSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104453" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104454 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H41N3O5S" ; chebi:inchi "InChI=1S/C25H41N3O5S/c1-6-34(30,31)26-21-11-12-23-22(13-21)25(29)27(4)16-24(32-5)18(2)14-28(19(3)17-33-23)15-20-9-7-8-10-20/h11-13,18-20,24,26H,6-10,14-17H2,1-5H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "CQIKJOZGEFZHGH-XLNZFTOWSA-N" ; chebi:mass "495.677" ; chebi:monoisotopicmass "495.27669" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104454" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_104455 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37FN4O4" ; chebi:inchi "InChI=1S/C27H37FN4O4/c1-6-12-32-15-18(2)25(35-5)16-31(4)26(33)23-14-22(10-11-24(23)36-17-19(32)3)30-27(34)29-21-9-7-8-20(28)13-21/h7-11,13-14,18-19,25H,6,12,15-17H2,1-5H3,(H2,29,30,34)/t18-,19+,25-/m0/s1" ; chebi:inchikey "ACQKEKFFNOLIKU-CEYNDMKZSA-N" ; chebi:mass "500.607" ; chebi:monoisotopicmass "500.27988" ; chebi:smiles "CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104455" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104456 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35FN4O5" ; chebi:inchi "InChI=1S/C28H35FN4O5/c1-17-14-33(26(34)19-8-9-19)18(2)16-38-24-11-10-22(13-23(24)27(35)32(3)15-25(17)37-4)31-28(36)30-21-7-5-6-20(29)12-21/h5-7,10-13,17-19,25H,8-9,14-16H2,1-4H3,(H2,30,31,36)/t17-,18-,25+/m1/s1" ; chebi:inchikey "UCDDDGMWGBQWAH-GAKIBJFNSA-N" ; chebi:mass "526.601" ; chebi:monoisotopicmass "526.25915" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104456" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_104457 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H34N4O4" ; chebi:inchi "InChI=1S/C21H34N4O4/c1-13(2)23-21(27)24-16-7-8-18-17(9-16)20(26)25(5)11-19(28-6)14(3)10-22-15(4)12-29-18/h7-9,13-15,19,22H,10-12H2,1-6H3,(H2,23,24,27)/t14-,15-,19+/m0/s1" ; chebi:inchikey "PXLHMJKVTIIEQJ-YZVOILCLSA-N" ; chebi:mass "406.520" ; chebi:monoisotopicmass "406.25801" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104457" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104458 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H39N3O6" ; chebi:inchi "InChI=1S/C26H39N3O6/c1-17-13-29(25(31)19-8-6-7-9-19)18(2)15-35-22-12-20(27-24(30)16-33-4)10-11-21(22)26(32)28(3)14-23(17)34-5/h10-12,17-19,23H,6-9,13-16H2,1-5H3,(H,27,30)/t17-,18-,23-/m1/s1" ; chebi:inchikey "ODEBYALMHVNZLV-PMAPCBKXSA-N" ; chebi:mass "489.605" ; chebi:monoisotopicmass "489.28389" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104458" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-[cyclopentyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_104459 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O4" ; chebi:inchi "InChI=1S/C28H37N3O4/c1-19-15-31(16-21-10-11-21)20(2)18-35-25-13-12-23(29-27(32)22-8-6-5-7-9-22)14-24(25)28(33)30(3)17-26(19)34-4/h5-9,12-14,19-21,26H,10-11,15-18H2,1-4H3,(H,29,32)/t19-,20-,26-/m0/s1" ; chebi:inchikey "WREZSNUYDZQHHD-DYLHXGEVSA-N" ; chebi:mass "479.612" ; chebi:monoisotopicmass "479.27841" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104459" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_10446 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C3H5NO2R2" ; chebi:mass "87.077" ; chebi:monoisotopicmass "87.03203" ; chebi:smiles "N[C@@H](C([*])[*])C(O)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10446" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-Substituted alpha-L-amino acid" . obo:CHEBI_104460 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C20H31N3O5" ; chebi:inchi "InChI=1S/C20H31N3O5/c1-13-9-21-14(2)11-28-17-7-6-15(22-19(24)12-26-4)8-16(17)20(25)23(3)10-18(13)27-5/h6-8,13-14,18,21H,9-12H2,1-5H3,(H,22,24)/t13-,14-,18+/m1/s1" ; chebi:inchikey "JPYQBBUSLGAIKR-LBTNJELSSA-N" ; chebi:mass "393.478" ; chebi:monoisotopicmass "393.22637" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104460" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104461 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H37N3O5" ; chebi:inchi "InChI=1S/C23H37N3O5/c1-7-10-26-12-16(2)21(30-6)13-25(4)23(28)19-11-18(24-22(27)15-29-5)8-9-20(19)31-14-17(26)3/h8-9,11,16-17,21H,7,10,12-15H2,1-6H3,(H,24,27)/t16-,17+,21+/m1/s1" ; chebi:inchikey "ZSTCKDKDRWVGTF-WWMYMODYSA-N" ; chebi:mass "435.558" ; chebi:monoisotopicmass "435.27332" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)COC)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104461" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104462 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-12-29-27(34)30-21-10-11-24-23(14-21)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-22-9-7-8-13-28-22/h7-11,13-14,19-20,25H,6,12,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25+/m0/s1" ; chebi:inchikey "FHXMSJACTAYBFY-WZOHSFFVSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104462" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104463 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-17-32(15-14-22-8-6-5-7-9-22)21(2)19-36-26-13-12-24(30-28(33)23-10-11-23)16-25(26)29(34)31(3)18-27(20)35-4/h5-9,12-13,16,20-21,23,27H,10-11,14-15,17-19H2,1-4H3,(H,30,33)/t20-,21-,27+/m0/s1" ; chebi:inchikey "PRTUIZBAVMDHAZ-NOMHHCBYSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104463" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_104464 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C20H31N3O5" ; chebi:inchi "InChI=1S/C20H31N3O5/c1-13-9-21-14(2)11-28-17-7-6-15(22-19(24)12-26-4)8-16(17)20(25)23(3)10-18(13)27-5/h6-8,13-14,18,21H,9-12H2,1-5H3,(H,22,24)/t13-,14+,18+/m0/s1" ; chebi:inchikey "JPYQBBUSLGAIKR-PMUMKWKESA-N" ; chebi:mass "393.478" ; chebi:monoisotopicmass "393.22637" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104464" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104465 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-12-18(27-24(30)19-8-6-7-9-21(19)26)10-11-20(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17-,23+/m1/s1" ; chebi:inchikey "FSOYZNCORKLRQF-QZMQVMSPSA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104465" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104466 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H34N4O4" ; chebi:inchi "InChI=1S/C21H34N4O4/c1-13(2)23-21(27)24-16-7-8-18-17(9-16)20(26)25(5)11-19(28-6)14(3)10-22-15(4)12-29-18/h7-9,13-15,19,22H,10-12H2,1-6H3,(H2,23,24,27)/t14-,15+,19-/m1/s1" ; chebi:inchikey "PXLHMJKVTIIEQJ-ZRGWGRIASA-N" ; chebi:mass "406.520" ; chebi:monoisotopicmass "406.25801" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104466" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104467 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-17-13-30(26(33)21-8-6-7-11-27-21)18(2)15-36-22-12-19(28-24(31)16-34-4)9-10-20(22)25(32)29(3)14-23(17)35-5/h6-12,17-18,23H,13-16H2,1-5H3,(H,28,31)/t17-,18+,23-/m1/s1" ; chebi:inchikey "UPGINRWREGYSMW-IEGUWTFLSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104467" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104468 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H39N3O4" ; chebi:inchi "InChI=1S/C25H39N3O4/c1-6-12-28-14-17(2)23(31-5)15-27(4)25(30)21-13-20(26-24(29)19-8-7-9-19)10-11-22(21)32-16-18(28)3/h10-11,13,17-19,23H,6-9,12,14-16H2,1-5H3,(H,26,29)/t17-,18-,23-/m0/s1" ; chebi:inchikey "JELNQRUVVFGWSZ-BSRJHKFKSA-N" ; chebi:mass "445.596" ; chebi:monoisotopicmass "445.29406" ; chebi:smiles "CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CCC3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104468" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_104469 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-19(27-23(29)17-5-7-18(25)8-6-17)11-20(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16-,22+/m1/s1" ; chebi:inchikey "NMVKSNPKIBDAFP-MCFFVMPBSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104469" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_10447 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25409 ; rdfs:subClassOf obo:CHEBI_33823 ; rdfs:subClassOf obo:CHEBI_3992 . _:b316 rdf:type owl:Restriction . obo:CHEBI_10447 rdfs:subClassOf _:b316 . _:b316 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33282 . _:b317 rdf:type owl:Restriction . obo:CHEBI_10447 rdfs:subClassOf _:b317 . _:b317 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . _:b318 rdf:type owl:Restriction . obo:CHEBI_10447 rdfs:subClassOf _:b318 . _:b318 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35718 . _:b319 rdf:type owl:Restriction . obo:CHEBI_10447 rdfs:subClassOf _:b319 . _:b319 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_64915 . _:b320 rdf:type owl:Restriction . obo:CHEBI_10447 rdfs:subClassOf _:b320 . _:b320 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . _:b321 rdf:type owl:Restriction . obo:CHEBI_10447 rdfs:subClassOf _:b321 . _:b321 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_37519 . obo:CHEBI_10447 obo:IAO_0000115 "A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities." ; chebi:charge "0" ; chebi:formula "C10H12O2" ; chebi:inchi "InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)" ; chebi:inchikey "FUWUEFKEXZQKKA-UHFFFAOYSA-N" ; chebi:mass "164.20110" ; chebi:monoisotopicmass "164.08373" ; chebi:smiles "CC(C)c1cccc(=O)c(O)c1" ; oboInOwl:hasAlternativeId "CHEBI:66015" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10447" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-thujaplicin" . obo:CHEBI_104470 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N3O5" ; chebi:inchi "InChI=1S/C25H37N3O5/c1-16-13-28(18(3)29)17(2)15-33-22-11-10-20(26-24(30)19-8-6-7-9-19)12-21(22)25(31)27(4)14-23(16)32-5/h10-12,16-17,19,23H,6-9,13-15H2,1-5H3,(H,26,30)/t16-,17+,23+/m1/s1" ; chebi:inchikey "YOWCQSGRJVNXNF-DGGJZMOXSA-N" ; chebi:mass "459.579" ; chebi:monoisotopicmass "459.27332" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104470" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_104471 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37ClN6O6" ; chebi:inchi "InChI=1S/C30H37ClN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-12-11-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-21(31)8-10-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18-,26-/m0/s1" ; chebi:inchikey "CNFQIZJMIVHXMW-XWXLMPLOSA-N" ; chebi:mass "613.105" ; chebi:monoisotopicmass "612.24631" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104471" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7S,8R)-14-[[(4-chloroanilino)-oxomethyl]amino]-N-(3,5-dimethyl-4-isoxazolyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_104472 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-26(31)28-22-12-13-23-24(14-22)34-18-20(3)30(16-21-10-8-7-9-11-21)15-19(2)25(33-5)17-29(4)27(23)32/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20+,25-/m1/s1" ; chebi:inchikey "YJDVPIUPODSEFW-OHUGHZGNSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CC3CCCCC3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104472" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104473 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37ClN6O6" ; chebi:inchi "InChI=1S/C30H37ClN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-12-11-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-21(31)8-10-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18+,26-/m0/s1" ; chebi:inchikey "CNFQIZJMIVHXMW-DFXHWTJYSA-N" ; chebi:mass "613.105" ; chebi:monoisotopicmass "612.24631" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104473" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7S,8R)-14-[[(4-chloroanilino)-oxomethyl]amino]-N-(3,5-dimethyl-4-isoxazolyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_104474 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O5" ; chebi:inchi "InChI=1S/C24H37N3O5/c1-16-13-26(3)17(2)15-32-21-12-19(25-23(28)18-8-10-31-11-9-18)6-7-20(21)24(29)27(4)14-22(16)30-5/h6-7,12,16-18,22H,8-11,13-15H2,1-5H3,(H,25,28)/t16-,17-,22+/m1/s1" ; chebi:inchikey "TVGROYRLGTWDMS-YVHKJVDXSA-N" ; chebi:mass "447.569" ; chebi:monoisotopicmass "447.27332" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104474" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_104475 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H33N3O8S" ; chebi:inchi "InChI=1S/C26H33N3O8S/c1-16-12-29(25(30)18-6-9-21-23(10-18)37-15-36-21)17(2)14-35-22-11-19(27-38(5,32)33)7-8-20(22)26(31)28(3)13-24(16)34-4/h6-11,16-17,24,27H,12-15H2,1-5H3/t16-,17+,24+/m1/s1" ; chebi:inchikey "JZGYUICVYOVPMO-KCYKTTMJSA-N" ; chebi:mass "547.623" ; chebi:monoisotopicmass "547.19884" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104475" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104476 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O5" ; chebi:inchi "InChI=1S/C25H34N4O5/c1-16-13-26-17(2)15-34-22-11-8-19(12-21(22)24(30)29(3)14-23(16)33-5)28-25(31)27-18-6-9-20(32-4)10-7-18/h6-12,16-17,23,26H,13-15H2,1-5H3,(H2,27,28,31)/t16-,17+,23-/m1/s1" ; chebi:inchikey "PJDHXRQRCWLMLV-SAHWJRBASA-N" ; chebi:mass "470.562" ; chebi:monoisotopicmass "470.25292" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104476" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-methoxyphenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104477 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H38N6O4" ; chebi:inchi "InChI=1S/C26H38N6O4/c1-17(2)29-26(34)30-21-7-8-23-22(9-21)25(33)31(5)14-24(35-6)18(3)12-32(19(4)15-36-23)13-20-10-27-16-28-11-20/h7-11,16-19,24H,12-15H2,1-6H3,(H2,29,30,34)/t18-,19+,24-/m1/s1" ; chebi:inchikey "DRUGZYWRQAVALM-YDIMBITNSA-N" ; chebi:mass "498.619" ; chebi:monoisotopicmass "498.29545" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104477" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104478 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H41N3O5S" ; chebi:inchi "InChI=1S/C25H41N3O5S/c1-6-34(30,31)26-21-11-12-23-22(13-21)25(29)27(4)16-24(32-5)18(2)14-28(19(3)17-33-23)15-20-9-7-8-10-20/h11-13,18-20,24,26H,6-10,14-17H2,1-5H3/t18-,19-,24+/m1/s1" ; chebi:inchikey "CQIKJOZGEFZHGH-IECBHUPTSA-N" ; chebi:mass "495.677" ; chebi:monoisotopicmass "495.27669" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104478" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_104479 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H38N6O4" ; chebi:inchi "InChI=1S/C26H38N6O4/c1-17(2)29-26(34)30-21-7-8-23-22(9-21)25(33)31(5)14-24(35-6)18(3)12-32(19(4)15-36-23)13-20-10-27-16-28-11-20/h7-11,16-19,24H,12-15H2,1-6H3,(H2,29,30,34)/t18-,19+,24+/m1/s1" ; chebi:inchikey "DRUGZYWRQAVALM-IMWIBFENSA-N" ; chebi:mass "498.619" ; chebi:monoisotopicmass "498.29545" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CN=CN=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104479" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_10448 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H22O" ; chebi:inchi "InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12H,5-6,8-9H2,1-4H3/t12-,15+/m1/s1" ; chebi:inchikey "ISLOGSAEQNKPGG-DOMZBBRYSA-N" ; chebi:mass "218.335" ; chebi:monoisotopicmass "218.16707" ; chebi:smiles "C[C@@H]1CC(=O)C=C(C)[C@@]11CCC(C1)=C(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10448" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-Vetivone" . obo:CHEBI_104480 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O4" ; chebi:inchi "InChI=1S/C28H37N3O4/c1-19-15-31(16-21-10-11-21)20(2)18-35-25-13-12-23(29-27(32)22-8-6-5-7-9-22)14-24(25)28(33)30(3)17-26(19)34-4/h5-9,12-14,19-21,26H,10-11,15-18H2,1-4H3,(H,29,32)/t19-,20-,26+/m0/s1" ; chebi:inchikey "WREZSNUYDZQHHD-CUVVAGTFSA-N" ; chebi:mass "479.612" ; chebi:monoisotopicmass "479.27841" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104480" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104481 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H35N5O4S" ; chebi:inchi "InChI=1S/C31H35N5O4S/c1-20-16-36(17-22-8-7-13-32-15-22)21(2)19-40-26-14-23(11-12-24(26)31(38)35(3)18-27(20)39-4)33-29(37)30-34-25-9-5-6-10-28(25)41-30/h5-15,20-21,27H,16-19H2,1-4H3,(H,33,37)/t20-,21-,27+/m0/s1" ; chebi:inchikey "HCXQDEKJJPGAJR-NOMHHCBYSA-N" ; chebi:mass "573.708" ; chebi:monoisotopicmass "573.24098" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@H]1OC)C)C)CC5=CN=CC=C5" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104481" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_104482 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37ClN6O6" ; chebi:inchi "InChI=1S/C30H37ClN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-12-11-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-21(31)8-10-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18-,26+/m0/s1" ; chebi:inchikey "CNFQIZJMIVHXMW-QSAFDGGLSA-N" ; chebi:mass "613.105" ; chebi:monoisotopicmass "612.24631" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104482" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7S,8S)-14-[[(4-chloroanilino)-oxomethyl]amino]-N-(3,5-dimethyl-4-isoxazolyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_104483 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-12-29-27(34)30-21-10-11-24-23(14-21)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-22-9-7-8-13-28-22/h7-11,13-14,19-20,25H,6,12,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25+/m1/s1" ; chebi:inchikey "FHXMSJACTAYBFY-RNHFSVANSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104483" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104484 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O4" ; chebi:inchi "InChI=1S/C27H36FN3O4/c1-6-13-31-15-18(2)25(34-5)16-30(4)27(33)23-12-11-22(14-24(23)35-17-19(31)3)29-26(32)20-7-9-21(28)10-8-20/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H,29,32)/t18-,19+,25+/m1/s1" ; chebi:inchikey "QPDYUGYUVJBCGY-WYEJZRMESA-N" ; chebi:mass "485.592" ; chebi:monoisotopicmass "485.26898" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104484" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104485 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-19(27-23(29)17-5-7-18(25)8-6-17)11-20(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16+,22+/m0/s1" ; chebi:inchikey "NMVKSNPKIBDAFP-WJONJSRFSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104485" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104486 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-19(27-23(29)17-5-7-18(25)8-6-17)11-20(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16+,22-/m1/s1" ; chebi:inchikey "NMVKSNPKIBDAFP-ZMPRRUGASA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104486" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104487 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-26(31)28-22-12-13-23-24(14-22)34-18-20(3)30(16-21-10-8-7-9-11-21)15-19(2)25(33-5)17-29(4)27(23)32/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20-,25-/m0/s1" ; chebi:inchikey "YJDVPIUPODSEFW-RLSLOFABSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@H](CO2)C)CC3CCCCC3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104487" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104488 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N3O5" ; chebi:inchi "InChI=1S/C25H37N3O5/c1-16-13-28(18(3)29)17(2)15-33-22-11-10-20(26-24(30)19-8-6-7-9-19)12-21(22)25(31)27(4)14-23(16)32-5/h10-12,16-17,19,23H,6-9,13-15H2,1-5H3,(H,26,30)/t16-,17-,23+/m0/s1" ; chebi:inchikey "YOWCQSGRJVNXNF-HKARXFIJSA-N" ; chebi:mass "459.579" ; chebi:monoisotopicmass "459.27332" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104488" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_104489 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-17-13-30(26(33)21-8-6-7-11-27-21)18(2)15-36-22-12-19(28-24(31)16-34-4)9-10-20(22)25(32)29(3)14-23(17)35-5/h6-12,17-18,23H,13-16H2,1-5H3,(H,28,31)/t17-,18+,23+/m0/s1" ; chebi:inchikey "UPGINRWREGYSMW-YZZKKUAISA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104489" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10449 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27533 ; owl:deprecated true . obo:CHEBI_104490 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H35N3O5S" ; chebi:inchi "InChI=1S/C21H35N3O5S/c1-7-10-24-12-15(2)20(28-5)13-23(4)21(25)18-11-17(22-30(6,26)27)8-9-19(18)29-14-16(24)3/h8-9,11,15-16,20,22H,7,10,12-14H2,1-6H3/t15-,16+,20-/m1/s1" ; chebi:inchikey "GJWLNKOJEVXCCA-GQIGUUNPSA-N" ; chebi:mass "441.587" ; chebi:monoisotopicmass "441.22974" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104490" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104491 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O5" ; chebi:inchi "InChI=1S/C25H34N4O5/c1-16-13-26-17(2)15-34-22-11-8-19(12-21(22)24(30)29(3)14-23(16)33-5)28-25(31)27-18-6-9-20(32-4)10-7-18/h6-12,16-17,23,26H,13-15H2,1-5H3,(H2,27,28,31)/t16-,17-,23-/m0/s1" ; chebi:inchikey "PJDHXRQRCWLMLV-QQMNAOGKSA-N" ; chebi:mass "470.562" ; chebi:monoisotopicmass "470.25292" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104491" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-methoxyphenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104492 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-17-32(15-14-22-8-6-5-7-9-22)21(2)19-36-26-13-12-24(30-28(33)23-10-11-23)16-25(26)29(34)31(3)18-27(20)35-4/h5-9,12-13,16,20-21,23,27H,10-11,14-15,17-19H2,1-4H3,(H,30,33)/t20-,21+,27+/m1/s1" ; chebi:inchikey "PRTUIZBAVMDHAZ-BUEREQSYSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104492" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_104493 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37FN4O4" ; chebi:inchi "InChI=1S/C27H37FN4O4/c1-6-12-32-15-18(2)25(35-5)16-31(4)26(33)23-14-22(10-11-24(23)36-17-19(32)3)30-27(34)29-21-9-7-8-20(28)13-21/h7-11,13-14,18-19,25H,6,12,15-17H2,1-5H3,(H2,29,30,34)/t18-,19-,25+/m1/s1" ; chebi:inchikey "ACQKEKFFNOLIKU-RRQZXNHTSA-N" ; chebi:mass "500.607" ; chebi:monoisotopicmass "500.27988" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104493" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104494 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-17-13-30(24(31)15-28(3)4)18(2)16-35-22-12-20(27-25(32)19-8-7-9-19)10-11-21(22)26(33)29(5)14-23(17)34-6/h10-12,17-19,23H,7-9,13-16H2,1-6H3,(H,27,32)/t17-,18+,23-/m0/s1" ; chebi:inchikey "OGUHNRNBJHRPNW-IXFSTUDKSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104494" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_104495 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H41N3O5S" ; chebi:inchi "InChI=1S/C25H41N3O5S/c1-6-34(30,31)26-21-11-12-23-22(13-21)25(29)27(4)16-24(32-5)18(2)14-28(19(3)17-33-23)15-20-9-7-8-10-20/h11-13,18-20,24,26H,6-10,14-17H2,1-5H3/t18-,19+,24-/m0/s1" ; chebi:inchikey "CQIKJOZGEFZHGH-GLDPYIMESA-N" ; chebi:mass "495.677" ; chebi:monoisotopicmass "495.27669" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104495" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_104496 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O6" ; chebi:inchi "InChI=1S/C28H37N3O6/c1-7-26(32)31-15-18(2)25(36-6)16-30(4)28(34)23-14-21(10-13-24(23)37-17-19(31)3)29-27(33)20-8-11-22(35-5)12-9-20/h8-14,18-19,25H,7,15-17H2,1-6H3,(H,29,33)/t18-,19-,25-/m1/s1" ; chebi:inchikey "QPCTXYQEJVCSQQ-MPCDZSKCSA-N" ; chebi:mass "511.611" ; chebi:monoisotopicmass "511.26824" ; chebi:smiles "CCC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104496" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-methoxy-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104497 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37ClN6O6" ; chebi:inchi "InChI=1S/C30H37ClN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-12-11-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-21(31)8-10-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18-,26+/m1/s1" ; chebi:inchikey "CNFQIZJMIVHXMW-KABRZNFWSA-N" ; chebi:mass "613.105" ; chebi:monoisotopicmass "612.24631" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104497" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8R)-14-[[(4-chloroanilino)-oxomethyl]amino]-N-(3,5-dimethyl-4-isoxazolyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_104498 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O4" ; chebi:inchi "InChI=1S/C27H36FN3O4/c1-6-13-31-15-18(2)25(34-5)16-30(4)27(33)23-12-11-22(14-24(23)35-17-19(31)3)29-26(32)20-7-9-21(28)10-8-20/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H,29,32)/t18-,19-,25-/m0/s1" ; chebi:inchikey "QPDYUGYUVJBCGY-MHPIHPPYSA-N" ; chebi:mass "485.592" ; chebi:monoisotopicmass "485.26898" ; chebi:smiles "CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104498" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104499 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H41N3O4" ; chebi:inchi "InChI=1S/C26H41N3O4/c1-18-14-29(15-21-9-7-6-8-10-21)19(2)17-33-24-12-11-22(27-20(3)30)13-23(24)26(31)28(4)16-25(18)32-5/h11-13,18-19,21,25H,6-10,14-17H2,1-5H3,(H,27,30)/t18-,19+,25-/m0/s1" ; chebi:inchikey "YEIJZPFIQUPCSE-CEYNDMKZSA-N" ; chebi:mass "459.622" ; chebi:monoisotopicmass "459.30971" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104499" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_1045 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28489 ; owl:deprecated true . obo:CHEBI_10450 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28002 ; owl:deprecated true . obo:CHEBI_104500 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O4" ; chebi:inchi "InChI=1S/C25H34N4O4/c1-17-13-29(14-20-7-6-10-26-12-20)18(2)16-33-23-9-8-21(27-19(3)30)11-22(23)25(31)28(4)15-24(17)32-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,27,30)/t17-,18+,24+/m1/s1" ; chebi:inchikey "POIAECOHAGPJOS-YTZAWJCFSA-N" ; chebi:mass "454.563" ; chebi:monoisotopicmass "454.25801" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104500" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104501 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H41N3O5S" ; chebi:inchi "InChI=1S/C25H41N3O5S/c1-6-34(30,31)26-21-11-12-23-22(13-21)25(29)27(4)16-24(32-5)18(2)14-28(19(3)17-33-23)15-20-9-7-8-10-20/h11-13,18-20,24,26H,6-10,14-17H2,1-5H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "CQIKJOZGEFZHGH-YDIMBITNSA-N" ; chebi:mass "495.677" ; chebi:monoisotopicmass "495.27669" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104501" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_104502 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H38N4O7S" ; chebi:inchi "InChI=1S/C31H38N4O7S/c1-21-18-35(30(36)14-23-8-7-13-32-17-23)22(2)20-42-28-15-24(11-12-27(28)31(37)34(3)19-29(21)41-5)33-43(38,39)26-10-6-9-25(16-26)40-4/h6-13,15-17,21-22,29,33H,14,18-20H2,1-5H3/t21-,22+,29+/m1/s1" ; chebi:inchikey "CTXMNAKEZUVJQX-BXOOBUKZSA-N" ; chebi:mass "610.723" ; chebi:monoisotopicmass "610.24612" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104502" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_104503 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(26(33)20-8-6-7-9-22(20)27)17(2)15-35-23-12-19(28-18(3)31)10-11-21(23)25(32)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,31)/t16-,17+,24-/m0/s1" ; chebi:inchikey "JPQILOCSRFKHEV-SRGWNRLKSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104503" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104504 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H34N4O4" ; chebi:inchi "InChI=1S/C21H34N4O4/c1-13(2)23-21(27)24-16-7-8-18-17(9-16)20(26)25(5)11-19(28-6)14(3)10-22-15(4)12-29-18/h7-9,13-15,19,22H,10-12H2,1-6H3,(H2,23,24,27)/t14-,15+,19-/m0/s1" ; chebi:inchikey "PXLHMJKVTIIEQJ-KHYOSLBOSA-N" ; chebi:mass "406.520" ; chebi:monoisotopicmass "406.25801" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104504" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104505 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H33N5O5S" ; chebi:inchi "InChI=1S/C22H33N5O5S/c1-15-10-26(4)16(2)13-32-19-8-7-17(24-33(29,30)21-12-25(3)14-23-21)9-18(19)22(28)27(5)11-20(15)31-6/h7-9,12,14-16,20,24H,10-11,13H2,1-6H3/t15-,16-,20-/m1/s1" ; chebi:inchikey "SSHPSTSVPAJXGJ-JXXFODFXSA-N" ; chebi:mass "479.595" ; chebi:monoisotopicmass "479.22024" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104505" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_104506 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-17-13-30(24(31)15-28(3)4)18(2)16-35-22-12-20(27-25(32)19-8-7-9-19)10-11-21(22)26(33)29(5)14-23(17)34-6/h10-12,17-19,23H,7-9,13-16H2,1-6H3,(H,27,32)/t17-,18-,23+/m1/s1" ; chebi:inchikey "OGUHNRNBJHRPNW-PNCHPQGNSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104506" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_104507 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H35N3O5S" ; chebi:inchi "InChI=1S/C21H35N3O5S/c1-7-10-24-12-15(2)20(28-5)13-23(4)21(25)18-11-17(22-30(6,26)27)8-9-19(18)29-14-16(24)3/h8-9,11,15-16,20,22H,7,10,12-14H2,1-6H3/t15-,16+,20+/m0/s1" ; chebi:inchikey "GJWLNKOJEVXCCA-RZQQEMMASA-N" ; chebi:mass "441.587" ; chebi:monoisotopicmass "441.22974" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104507" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104508 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O5" ; chebi:inchi "InChI=1S/C24H38N4O5/c1-7-11-25-24(31)26-18-9-10-20-19(12-18)23(30)27(5)14-21(32-6)16(3)13-28(22(29)8-2)17(4)15-33-20/h9-10,12,16-17,21H,7-8,11,13-15H2,1-6H3,(H2,25,26,31)/t16-,17-,21-/m0/s1" ; chebi:inchikey "WKMZWDZZZDEYCM-FIKGOQFSSA-N" ; chebi:mass "462.583" ; chebi:monoisotopicmass "462.28422" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104508" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104509 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-12-29-27(34)30-21-10-11-24-23(14-21)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-22-9-7-8-13-28-22/h7-11,13-14,19-20,25H,6,12,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25-/m0/s1" ; chebi:inchikey "FHXMSJACTAYBFY-DFIYOIEZSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104509" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_10451 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16508 ; owl:deprecated true . obo:CHEBI_104510 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N5O5" ; chebi:inchi "InChI=1S/C25H37N5O5/c1-16(2)27-25(32)28-19-7-8-21-22(9-19)35-13-18(4)30(11-20-14-34-15-26-20)10-17(3)23(33-6)12-29(5)24(21)31/h7-9,14-18,23H,10-13H2,1-6H3,(H2,27,28,32)/t17-,18-,23+/m1/s1" ; chebi:inchikey "BBWOUVGAXSHUEL-PNCHPQGNSA-N" ; chebi:mass "487.593" ; chebi:monoisotopicmass "487.27947" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3=COC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104510" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-(4-oxazolylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_104511 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34N4O5S" ; chebi:inchi "InChI=1S/C24H34N4O5S/c1-17-13-28(14-20-8-6-7-11-25-20)18(2)16-33-22-12-19(26-34(5,30)31)9-10-21(22)24(29)27(3)15-23(17)32-4/h6-12,17-18,23,26H,13-16H2,1-5H3/t17-,18+,23-/m0/s1" ; chebi:inchikey "VKVFXZDQZTZVBL-IXFSTUDKSA-N" ; chebi:mass "490.618" ; chebi:monoisotopicmass "490.22499" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104511" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104512 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H41N3O4" ; chebi:inchi "InChI=1S/C26H41N3O4/c1-18-14-29(15-21-9-7-6-8-10-21)19(2)17-33-24-12-11-22(27-20(3)30)13-23(24)26(31)28(4)16-25(18)32-5/h11-13,18-19,21,25H,6-10,14-17H2,1-5H3,(H,27,30)/t18-,19-,25+/m1/s1" ; chebi:inchikey "YEIJZPFIQUPCSE-RRQZXNHTSA-N" ; chebi:mass "459.622" ; chebi:monoisotopicmass "459.30971" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104512" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104513 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-19(27-23(29)17-5-7-18(25)8-6-17)11-20(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16+,22+/m1/s1" ; chebi:inchikey "NMVKSNPKIBDAFP-VVBPWWLESA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104513" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104514 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H39N3O6" ; chebi:inchi "InChI=1S/C26H39N3O6/c1-6-24(30)29-14-17(2)23(33-5)15-28(4)26(32)21-8-7-20(13-22(21)35-16-18(29)3)27-25(31)19-9-11-34-12-10-19/h7-8,13,17-19,23H,6,9-12,14-16H2,1-5H3,(H,27,31)/t17-,18-,23+/m1/s1" ; chebi:inchikey "MDHLDPDUZLKUJE-PNCHPQGNSA-N" ; chebi:mass "489.605" ; chebi:monoisotopicmass "489.28389" ; chebi:smiles "CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3CCOCC3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104514" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_104515 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-7-8-24-23(14-22)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-21-9-12-28-13-10-21/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25-/m0/s1" ; chebi:inchikey "DCHCVUMEJAAHBI-DFIYOIEZSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104515" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104516 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C20H31N3O5" ; chebi:inchi "InChI=1S/C20H31N3O5/c1-13-9-21-14(2)11-28-17-7-6-15(22-19(24)12-26-4)8-16(17)20(25)23(3)10-18(13)27-5/h6-8,13-14,18,21H,9-12H2,1-5H3,(H,22,24)/t13-,14+,18-/m1/s1" ; chebi:inchikey "JPYQBBUSLGAIKR-QWQRMKEZSA-N" ; chebi:mass "393.478" ; chebi:monoisotopicmass "393.22637" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104516" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104517 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O4" ; chebi:inchi "InChI=1S/C28H37N3O4/c1-19-15-31(16-21-10-11-21)20(2)18-35-25-13-12-23(29-27(32)22-8-6-5-7-9-22)14-24(25)28(33)30(3)17-26(19)34-4/h5-9,12-14,19-21,26H,10-11,15-18H2,1-4H3,(H,29,32)/t19-,20-,26-/m1/s1" ; chebi:inchikey "WREZSNUYDZQHHD-XMERXJNXSA-N" ; chebi:mass "479.612" ; chebi:monoisotopicmass "479.27841" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104517" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104518 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H36N4O5" ; chebi:inchi "InChI=1S/C23H36N4O5/c1-15-11-27(22(29)13-25(4)5)16(2)14-32-20-10-18(24-17(3)28)8-9-19(20)23(30)26(6)12-21(15)31-7/h8-10,15-16,21H,11-14H2,1-7H3,(H,24,28)/t15-,16-,21+/m0/s1" ; chebi:inchikey "ORSJUXOXPPDIAU-CKJXQJPGSA-N" ; chebi:mass "448.557" ; chebi:monoisotopicmass "448.26857" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104518" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104519 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H36N4O6S" ; chebi:inchi "InChI=1S/C22H36N4O6S/c1-14(2)23-22(28)26-11-15(3)20(31-6)12-25(5)21(27)18-10-17(24-33(7,29)30)8-9-19(18)32-13-16(26)4/h8-10,14-16,20,24H,11-13H2,1-7H3,(H,23,28)/t15-,16+,20+/m0/s1" ; chebi:inchikey "VUTYSYZKXJFCMD-RZQQEMMASA-N" ; chebi:mass "484.611" ; chebi:monoisotopicmass "484.23556" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104519" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7S,8S)-14-(methanesulfonamido)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_10452 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18301 ; owl:deprecated true . obo:CHEBI_104520 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H39N3O6" ; chebi:inchi "InChI=1S/C26H39N3O6/c1-6-24(30)29-14-17(2)23(33-5)15-28(4)26(32)21-8-7-20(13-22(21)35-16-18(29)3)27-25(31)19-9-11-34-12-10-19/h7-8,13,17-19,23H,6,9-12,14-16H2,1-5H3,(H,27,31)/t17-,18-,23-/m1/s1" ; chebi:inchikey "MDHLDPDUZLKUJE-PMAPCBKXSA-N" ; chebi:mass "489.605" ; chebi:monoisotopicmass "489.28389" ; chebi:smiles "CCC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3CCOCC3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104520" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_104521 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H33N5O5S" ; chebi:inchi "InChI=1S/C22H33N5O5S/c1-15-10-26(4)16(2)13-32-19-8-7-17(24-33(29,30)21-12-25(3)14-23-21)9-18(19)22(28)27(5)11-20(15)31-6/h7-9,12,14-16,20,24H,10-11,13H2,1-6H3/t15-,16+,20-/m1/s1" ; chebi:inchikey "SSHPSTSVPAJXGJ-GQIGUUNPSA-N" ; chebi:mass "479.595" ; chebi:monoisotopicmass "479.22024" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104521" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_104522 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H36N4O6S" ; chebi:inchi "InChI=1S/C22H36N4O6S/c1-14(2)23-22(28)26-11-15(3)20(31-6)12-25(5)21(27)18-10-17(24-33(7,29)30)8-9-19(18)32-13-16(26)4/h8-10,14-16,20,24H,11-13H2,1-7H3,(H,23,28)/t15-,16-,20+/m1/s1" ; chebi:inchikey "VUTYSYZKXJFCMD-QINHECLXSA-N" ; chebi:mass "484.611" ; chebi:monoisotopicmass "484.23556" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104522" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8R)-14-(methanesulfonamido)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_104523 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H38N4O7S" ; chebi:inchi "InChI=1S/C31H38N4O7S/c1-21-18-35(30(36)14-23-8-7-13-32-17-23)22(2)20-42-28-15-24(11-12-27(28)31(37)34(3)19-29(21)41-5)33-43(38,39)26-10-6-9-25(16-26)40-4/h6-13,15-17,21-22,29,33H,14,18-20H2,1-5H3/t21-,22+,29+/m0/s1" ; chebi:inchikey "CTXMNAKEZUVJQX-DKGMKSHISA-N" ; chebi:mass "610.723" ; chebi:monoisotopicmass "610.24612" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104523" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_104524 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N3O5" ; chebi:inchi "InChI=1S/C25H37N3O5/c1-16-13-28(18(3)29)17(2)15-33-22-11-10-20(26-24(30)19-8-6-7-9-19)12-21(22)25(31)27(4)14-23(16)32-5/h10-12,16-17,19,23H,6-9,13-15H2,1-5H3,(H,26,30)/t16-,17+,23-/m1/s1" ; chebi:inchikey "YOWCQSGRJVNXNF-SAHWJRBASA-N" ; chebi:mass "459.579" ; chebi:monoisotopicmass "459.27332" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104524" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_104525 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H33N5O5S" ; chebi:inchi "InChI=1S/C22H33N5O5S/c1-15-10-26(4)16(2)13-32-19-8-7-17(24-33(29,30)21-12-25(3)14-23-21)9-18(19)22(28)27(5)11-20(15)31-6/h7-9,12,14-16,20,24H,10-11,13H2,1-6H3/t15-,16+,20-/m0/s1" ; chebi:inchikey "SSHPSTSVPAJXGJ-YRNRMSPPSA-N" ; chebi:mass "479.595" ; chebi:monoisotopicmass "479.22024" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104525" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_104526 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O6" ; chebi:inchi "InChI=1S/C25H34N4O6/c1-7-23(30)29-12-15(2)22(33-6)13-28(5)25(32)19-9-8-18(11-21(19)34-14-16(29)3)26-24(31)20-10-17(4)35-27-20/h8-11,15-16,22H,7,12-14H2,1-6H3,(H,26,31)/t15-,16+,22-/m1/s1" ; chebi:inchikey "ILZDYFIBDLQWDD-ZMPRRUGASA-N" ; chebi:mass "486.562" ; chebi:monoisotopicmass "486.24783" ; chebi:smiles "CCC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104526" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_104527 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-12-29-27(34)30-21-10-11-24-23(14-21)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-22-9-7-8-13-28-22/h7-11,13-14,19-20,25H,6,12,15-18H2,1-5H3,(H2,29,30,34)/t19-,20-,25+/m0/s1" ; chebi:inchikey "FHXMSJACTAYBFY-ZYLNGJIFSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104527" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104528 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-12-29-27(34)30-21-10-11-24-23(14-21)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-22-9-7-8-13-28-22/h7-11,13-14,19-20,25H,6,12,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25-/m1/s1" ; chebi:inchikey "FHXMSJACTAYBFY-OHUGHZGNSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104528" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104529 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O4" ; chebi:inchi "InChI=1S/C28H37N3O4/c1-19-15-31(16-21-10-11-21)20(2)18-35-25-13-12-23(29-27(32)22-8-6-5-7-9-22)14-24(25)28(33)30(3)17-26(19)34-4/h5-9,12-14,19-21,26H,10-11,15-18H2,1-4H3,(H,29,32)/t19-,20-,26+/m1/s1" ; chebi:inchikey "WREZSNUYDZQHHD-KYTVRQNUSA-N" ; chebi:mass "479.612" ; chebi:monoisotopicmass "479.27841" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104529" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_10453 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27671 ; owl:deprecated true . obo:CHEBI_104530 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H36FN3O4" ; chebi:inchi "InChI=1S/C28H36FN3O4/c1-18-14-32(15-20-6-5-7-22(29)12-20)19(2)17-36-25-13-23(30-27(33)21-8-9-21)10-11-24(25)28(34)31(3)16-26(18)35-4/h5-7,10-13,18-19,21,26H,8-9,14-17H2,1-4H3,(H,30,33)/t18-,19+,26-/m0/s1" ; chebi:inchikey "FZYPJVOXNKMGKY-ANSQWYIGSA-N" ; chebi:mass "497.603" ; chebi:monoisotopicmass "497.26898" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CC(=CC=C4)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104530" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_104531 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O5" ; chebi:inchi "InChI=1S/C24H37N3O5/c1-16-13-26(3)17(2)15-32-21-12-19(25-23(28)18-8-10-31-11-9-18)6-7-20(21)24(29)27(4)14-22(16)30-5/h6-7,12,16-18,22H,8-11,13-15H2,1-5H3,(H,25,28)/t16-,17+,22+/m0/s1" ; chebi:inchikey "TVGROYRLGTWDMS-GSHUGGBRSA-N" ; chebi:mass "447.569" ; chebi:monoisotopicmass "447.27332" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104531" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_104532 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N5O4" ; chebi:inchi "InChI=1S/C23H31N5O4/c1-15-12-27(3)16(2)14-32-20-10-17(26-22(29)19-11-24-8-9-25-19)6-7-18(20)23(30)28(4)13-21(15)31-5/h6-11,15-16,21H,12-14H2,1-5H3,(H,26,29)/t15-,16-,21+/m0/s1" ; chebi:inchikey "WHHUAOMDORXOMQ-CKJXQJPGSA-N" ; chebi:mass "441.524" ; chebi:monoisotopicmass "441.23760" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104532" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_104533 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H38N4O7S" ; chebi:inchi "InChI=1S/C31H38N4O7S/c1-21-18-35(30(36)14-23-8-7-13-32-17-23)22(2)20-42-28-15-24(11-12-27(28)31(37)34(3)19-29(21)41-5)33-43(38,39)26-10-6-9-25(16-26)40-4/h6-13,15-17,21-22,29,33H,14,18-20H2,1-5H3/t21-,22+,29-/m0/s1" ; chebi:inchikey "CTXMNAKEZUVJQX-KERYWQKISA-N" ; chebi:mass "610.723" ; chebi:monoisotopicmass "610.24612" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4=CN=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104533" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_104534 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37ClN6O6" ; chebi:inchi "InChI=1S/C30H37ClN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-12-11-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-21(31)8-10-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18-,26-/m1/s1" ; chebi:inchikey "CNFQIZJMIVHXMW-UYPAYLBCSA-N" ; chebi:mass "613.105" ; chebi:monoisotopicmass "612.24631" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104534" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8S)-14-[[(4-chloroanilino)-oxomethyl]amino]-N-(3,5-dimethyl-4-isoxazolyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_104535 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O4" ; chebi:inchi "InChI=1S/C25H34N4O4/c1-17-13-29(14-20-7-6-10-26-12-20)18(2)16-33-23-9-8-21(27-19(3)30)11-22(23)25(31)28(4)15-24(17)32-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,27,30)/t17-,18-,24+/m1/s1" ; chebi:inchikey "POIAECOHAGPJOS-GGUMNFRJSA-N" ; chebi:mass "454.563" ; chebi:monoisotopicmass "454.25801" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CN=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104535" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104536 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O4" ; chebi:inchi "InChI=1S/C27H36FN3O4/c1-6-13-31-15-18(2)25(34-5)16-30(4)27(33)23-12-11-22(14-24(23)35-17-19(31)3)29-26(32)20-7-9-21(28)10-8-20/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H,29,32)/t18-,19-,25+/m1/s1" ; chebi:inchikey "QPDYUGYUVJBCGY-RRQZXNHTSA-N" ; chebi:mass "485.592" ; chebi:monoisotopicmass "485.26898" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104536" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104537 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35N3O5" ; chebi:inchi "InChI=1S/C28H35N3O5/c1-18-15-31(27(33)21-10-11-21)19(2)17-36-24-14-22(29-26(32)20-8-6-5-7-9-20)12-13-23(24)28(34)30(3)16-25(18)35-4/h5-9,12-14,18-19,21,25H,10-11,15-17H2,1-4H3,(H,29,32)/t18-,19+,25-/m0/s1" ; chebi:inchikey "OQUNXXZCDPSMLO-CEYNDMKZSA-N" ; chebi:mass "493.596" ; chebi:monoisotopicmass "493.25767" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104537" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[cyclopropyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104538 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H31N3O5S" ; chebi:inchi "InChI=1S/C19H31N3O5S/c1-6-28(24,25)21-15-7-8-16-17(9-15)27-12-14(3)20-10-13(2)18(26-5)11-22(4)19(16)23/h7-9,13-14,18,20-21H,6,10-12H2,1-5H3/t13-,14+,18+/m1/s1" ; chebi:inchikey "UUGFFVUSGWAEDZ-GLJUWKHASA-N" ; chebi:mass "413.533" ; chebi:monoisotopicmass "413.19844" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN[C@H](CO2)C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104538" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_104539 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-17-13-30(26(33)21-8-6-7-11-27-21)18(2)15-36-22-12-19(28-24(31)16-34-4)9-10-20(22)25(32)29(3)14-23(17)35-5/h6-12,17-18,23H,13-16H2,1-5H3,(H,28,31)/t17-,18-,23-/m1/s1" ; chebi:inchikey "UPGINRWREGYSMW-PMAPCBKXSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=N3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104539" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10454 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50930 ; chebi:charge "0" ; chebi:formula "C23H25F3N2OS" ; chebi:inchi "InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-" ; chebi:inchikey "NJMYODHXAKYRHW-DVZOWYKESA-N" ; chebi:mass "434.520" ; chebi:monoisotopicmass "434.16397" ; chebi:smiles "OCCN1CCN(CC\\C=C2\\c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10454" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "cis-(z)-Flupenthixol" . obo:CHEBI_104540 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35FN4O5" ; chebi:inchi "InChI=1S/C28H35FN4O5/c1-17-14-33(26(34)19-8-9-19)18(2)16-38-24-11-10-22(13-23(24)27(35)32(3)15-25(17)37-4)31-28(36)30-21-7-5-6-20(29)12-21/h5-7,10-13,17-19,25H,8-9,14-16H2,1-4H3,(H2,30,31,36)/t17-,18-,25-/m1/s1" ; chebi:inchikey "UCDDDGMWGBQWAH-QJMRKGMQSA-N" ; chebi:mass "526.601" ; chebi:monoisotopicmass "526.25915" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104540" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_104541 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C20H31N3O5" ; chebi:inchi "InChI=1S/C20H31N3O5/c1-13-9-21-14(2)11-28-17-7-6-15(22-19(24)12-26-4)8-16(17)20(25)23(3)10-18(13)27-5/h6-8,13-14,18,21H,9-12H2,1-5H3,(H,22,24)/t13-,14+,18-/m0/s1" ; chebi:inchikey "JPYQBBUSLGAIKR-IYOUNJFTSA-N" ; chebi:mass "393.478" ; chebi:monoisotopicmass "393.22637" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104541" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104542 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(26(33)20-8-6-7-9-22(20)27)17(2)15-35-23-12-19(28-18(3)31)10-11-21(23)25(32)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,31)/t16-,17+,24+/m1/s1" ; chebi:inchikey "JPQILOCSRFKHEV-KCYKTTMJSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104542" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104543 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35N3O5" ; chebi:inchi "InChI=1S/C28H35N3O5/c1-18-15-31(27(33)21-10-11-21)19(2)17-36-24-14-22(29-26(32)20-8-6-5-7-9-20)12-13-23(24)28(34)30(3)16-25(18)35-4/h5-9,12-14,18-19,21,25H,10-11,15-17H2,1-4H3,(H,29,32)/t18-,19-,25+/m1/s1" ; chebi:inchikey "OQUNXXZCDPSMLO-RRQZXNHTSA-N" ; chebi:mass "493.596" ; chebi:monoisotopicmass "493.25767" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104543" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[cyclopropyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104544 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35N3O5" ; chebi:inchi "InChI=1S/C28H35N3O5/c1-18-15-31(27(33)21-10-11-21)19(2)17-36-24-14-22(29-26(32)20-8-6-5-7-9-20)12-13-23(24)28(34)30(3)16-25(18)35-4/h5-9,12-14,18-19,21,25H,10-11,15-17H2,1-4H3,(H,29,32)/t18-,19+,25-/m1/s1" ; chebi:inchikey "OQUNXXZCDPSMLO-HHJKRLRDSA-N" ; chebi:mass "493.596" ; chebi:monoisotopicmass "493.25767" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104544" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-[cyclopropyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104545 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35FN4O5" ; chebi:inchi "InChI=1S/C28H35FN4O5/c1-17-14-33(26(34)19-8-9-19)18(2)16-38-24-11-10-22(13-23(24)27(35)32(3)15-25(17)37-4)31-28(36)30-21-7-5-6-20(29)12-21/h5-7,10-13,17-19,25H,8-9,14-16H2,1-4H3,(H2,30,31,36)/t17-,18-,25+/m0/s1" ; chebi:inchikey "UCDDDGMWGBQWAH-DPOKWSEZSA-N" ; chebi:mass "526.601" ; chebi:monoisotopicmass "526.25915" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104545" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_104546 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-17-13-30(24(31)15-28(3)4)18(2)16-35-22-12-20(27-25(32)19-8-7-9-19)10-11-21(22)26(33)29(5)14-23(17)34-6/h10-12,17-19,23H,7-9,13-16H2,1-6H3,(H,27,32)/t17-,18+,23+/m0/s1" ; chebi:inchikey "OGUHNRNBJHRPNW-YZZKKUAISA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104546" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_104547 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O5" ; chebi:inchi "InChI=1S/C25H34N4O5/c1-16-13-26-17(2)15-34-22-11-8-19(12-21(22)24(30)29(3)14-23(16)33-5)28-25(31)27-18-6-9-20(32-4)10-7-18/h6-12,16-17,23,26H,13-15H2,1-5H3,(H2,27,28,31)/t16-,17+,23-/m0/s1" ; chebi:inchikey "PJDHXRQRCWLMLV-MFEFFIJZSA-N" ; chebi:mass "470.562" ; chebi:monoisotopicmass "470.25292" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104547" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-methoxyphenyl)-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104548 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H41N3O4" ; chebi:inchi "InChI=1S/C26H41N3O4/c1-18-14-29(15-21-9-7-6-8-10-21)19(2)17-33-24-12-11-22(27-20(3)30)13-23(24)26(31)28(4)16-25(18)32-5/h11-13,18-19,21,25H,6-10,14-17H2,1-5H3,(H,27,30)/t18-,19-,25-/m0/s1" ; chebi:inchikey "YEIJZPFIQUPCSE-MHPIHPPYSA-N" ; chebi:mass "459.622" ; chebi:monoisotopicmass "459.30971" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104548" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104549 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(26(33)20-8-6-7-9-22(20)27)17(2)15-35-23-12-19(28-18(3)31)10-11-21(23)25(32)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,31)/t16-,17+,24-/m1/s1" ; chebi:inchikey "JPQILOCSRFKHEV-XVTZWQNCSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104549" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10455 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28805 ; owl:deprecated true . obo:CHEBI_104550 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30Cl2N4O4" ; chebi:inchi "InChI=1S/C24H30Cl2N4O4/c1-14-11-27-15(2)13-34-21-8-6-16(9-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-17-5-7-19(25)20(26)10-17/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15-,22+/m1/s1" ; chebi:inchikey "LHXFIZLNBSIVPU-HLFMIMNKSA-N" ; chebi:mass "509.426" ; chebi:monoisotopicmass "508.16441" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104550" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,4-dichlorophenyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_104551 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-26(31)28-22-12-13-23-24(14-22)34-18-20(3)30(16-21-10-8-7-9-11-21)15-19(2)25(33-5)17-29(4)27(23)32/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20+,25-/m0/s1" ; chebi:inchikey "YJDVPIUPODSEFW-DFIYOIEZSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)CC3CCCCC3)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104551" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104552 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37ClN6O6" ; chebi:inchi "InChI=1S/C30H37ClN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-12-11-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-21(31)8-10-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18+,26+/m0/s1" ; chebi:inchikey "CNFQIZJMIVHXMW-CUAXAMRHSA-N" ; chebi:mass "613.105" ; chebi:monoisotopicmass "612.24631" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104552" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7S,8S)-14-[[(4-chloroanilino)-oxomethyl]amino]-N-(3,5-dimethyl-4-isoxazolyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_104553 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O5" ; chebi:inchi "InChI=1S/C24H37N3O5/c1-16-13-26(3)17(2)15-32-21-12-19(25-23(28)18-8-10-31-11-9-18)6-7-20(21)24(29)27(4)14-22(16)30-5/h6-7,12,16-18,22H,8-11,13-15H2,1-5H3,(H,25,28)/t16-,17+,22+/m1/s1" ; chebi:inchikey "TVGROYRLGTWDMS-JLHGSKIFSA-N" ; chebi:mass "447.569" ; chebi:monoisotopicmass "447.27332" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104553" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_104554 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-19(27-23(29)17-5-7-18(25)8-6-17)11-20(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16-,22+/m0/s1" ; chebi:inchikey "NMVKSNPKIBDAFP-PONJGIIJSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104554" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104555 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H33N3O8S" ; chebi:inchi "InChI=1S/C26H33N3O8S/c1-16-12-29(25(30)18-6-9-21-23(10-18)37-15-36-21)17(2)14-35-22-11-19(27-38(5,32)33)7-8-20(22)26(31)28(3)13-24(16)34-4/h6-11,16-17,24,27H,12-15H2,1-5H3/t16-,17-,24-/m1/s1" ; chebi:inchikey "JZGYUICVYOVPMO-HOZJOUCCSA-N" ; chebi:mass "547.623" ; chebi:monoisotopicmass "547.19884" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104555" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_104556 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O5" ; chebi:inchi "InChI=1S/C24H38N4O5/c1-7-11-25-24(31)26-18-9-10-20-19(12-18)23(30)27(5)14-21(32-6)16(3)13-28(22(29)8-2)17(4)15-33-20/h9-10,12,16-17,21H,7-8,11,13-15H2,1-6H3,(H2,25,26,31)/t16-,17-,21-/m1/s1" ; chebi:inchikey "WKMZWDZZZDEYCM-CBGDNZLLSA-N" ; chebi:mass "462.583" ; chebi:monoisotopicmass "462.28422" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104556" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104557 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O6" ; chebi:inchi "InChI=1S/C28H37N3O6/c1-6-11-31-14-18(2)26(34-5)15-30(4)28(33)22-13-21(8-10-23(22)35-16-19(31)3)29-27(32)20-7-9-24-25(12-20)37-17-36-24/h7-10,12-13,18-19,26H,6,11,14-17H2,1-5H3,(H,29,32)/t18-,19-,26-/m1/s1" ; chebi:inchikey "JXFZGCVLIHCCFN-LJKQEARRSA-N" ; chebi:mass "511.611" ; chebi:monoisotopicmass "511.26824" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)OC[C@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104557" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_104558 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H39N3O6" ; chebi:inchi "InChI=1S/C26H39N3O6/c1-6-24(30)29-14-17(2)23(33-5)15-28(4)26(32)21-8-7-20(13-22(21)35-16-18(29)3)27-25(31)19-9-11-34-12-10-19/h7-8,13,17-19,23H,6,9-12,14-16H2,1-5H3,(H,27,31)/t17-,18+,23-/m1/s1" ; chebi:inchikey "MDHLDPDUZLKUJE-IEGUWTFLSA-N" ; chebi:mass "489.605" ; chebi:monoisotopicmass "489.28389" ; chebi:smiles "CCC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3CCOCC3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104558" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_104559 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O6" ; chebi:inchi "InChI=1S/C25H34N4O6/c1-7-23(30)29-12-15(2)22(33-6)13-28(5)25(32)19-9-8-18(11-21(19)34-14-16(29)3)26-24(31)20-10-17(4)35-27-20/h8-11,15-16,22H,7,12-14H2,1-6H3,(H,26,31)/t15-,16-,22-/m0/s1" ; chebi:inchikey "ILZDYFIBDLQWDD-WCJKSRRJSA-N" ; chebi:mass "486.562" ; chebi:monoisotopicmass "486.24783" ; chebi:smiles "CCC(=O)N1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104559" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_10456 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16843 ; owl:deprecated true . obo:CHEBI_104560 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35N3O5" ; chebi:inchi "InChI=1S/C28H35N3O5/c1-18-15-31(27(33)21-10-11-21)19(2)17-36-24-14-22(29-26(32)20-8-6-5-7-9-20)12-13-23(24)28(34)30(3)16-25(18)35-4/h5-9,12-14,18-19,21,25H,10-11,15-17H2,1-4H3,(H,29,32)/t18-,19+,25+/m0/s1" ; chebi:inchikey "OQUNXXZCDPSMLO-OSWQYVSFSA-N" ; chebi:mass "493.596" ; chebi:monoisotopicmass "493.25767" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104560" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-8-[cyclopropyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_104561 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(26(33)20-8-6-7-9-22(20)27)17(2)15-35-23-12-19(28-18(3)31)10-11-21(23)25(32)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,31)/t16-,17+,24+/m0/s1" ; chebi:inchikey "JPQILOCSRFKHEV-OBWXTZQISA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104561" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_104562 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O5" ; chebi:inchi "InChI=1S/C24H38N4O5/c1-7-11-25-24(31)26-18-9-10-20-19(12-18)23(30)27(5)14-21(32-6)16(3)13-28(22(29)8-2)17(4)15-33-20/h9-10,12,16-17,21H,7-8,11,13-15H2,1-6H3,(H2,25,26,31)/t16-,17+,21+/m1/s1" ; chebi:inchikey "WKMZWDZZZDEYCM-WWMYMODYSA-N" ; chebi:mass "462.583" ; chebi:monoisotopicmass "462.28422" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104562" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_104563 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35FN4O6" ; chebi:inchi "InChI=1S/C27H35FN4O6/c1-17-13-32(27(35)30-22-9-7-6-8-21(22)28)18(2)15-38-23-12-19(29-25(33)16-36-4)10-11-20(23)26(34)31(3)14-24(17)37-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,29,33)(H,30,35)/t17-,18-,24-/m1/s1" ; chebi:inchikey "CWZWGWHFCUYAPQ-QZTZHPFYSA-N" ; chebi:mass "530.589" ; chebi:monoisotopicmass "530.25406" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)NC3=CC=CC=C3F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104563" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6R,9R)-N-(2-fluorophenyl)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_104564 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H41N3O5" ; chebi:inchi "InChI=1S/C26H41N3O5/c1-6-25(30)27-21-7-8-23-22(13-21)26(31)28(4)16-24(32-5)18(2)14-29(19(3)17-34-23)15-20-9-11-33-12-10-20/h7-8,13,18-20,24H,6,9-12,14-17H2,1-5H3,(H,27,30)/t18-,19+,24+/m1/s1" ; chebi:inchikey "WMGIIIYIYFXVGX-IMWIBFENSA-N" ; chebi:mass "475.622" ; chebi:monoisotopicmass "475.30462" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3CCOCC3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104564" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_104565 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-6-10-27(32)29-23-13-14-25-24(15-23)28(33)30(4)18-26(34-5)20(2)16-31(21(3)19-35-25)17-22-11-8-7-9-12-22/h7-9,11-15,20-21,26H,6,10,16-19H2,1-5H3,(H,29,32)/t20-,21-,26+/m0/s1" ; chebi:inchikey "PEHKQIRDOAVSKY-ISJBWFOZSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=CC=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104565" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_104566 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H34F3N3O5S" ; chebi:inchi "InChI=1S/C22H34F3N3O5S/c1-6-34(30,31)26-17-7-8-19-18(11-17)21(29)27(4)13-20(32-5)15(2)12-28(16(3)14-33-19)10-9-22(23,24)25/h7-8,11,15-16,20,26H,6,9-10,12-14H2,1-5H3/t15-,16+,20-/m1/s1" ; chebi:inchikey "QTXSGNVPDCTZEW-GQIGUUNPSA-N" ; chebi:mass "509.585" ; chebi:monoisotopicmass "509.21713" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CCC(F)(F)F)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104566" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_104567 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H40N4O6" ; chebi:inchi "InChI=1S/C27H40N4O6/c1-18-14-31(25(32)16-30-9-11-36-12-10-30)19(2)17-37-23-8-7-21(28-26(33)20-5-6-20)13-22(23)27(34)29(3)15-24(18)35-4/h7-8,13,18-20,24H,5-6,9-12,14-17H2,1-4H3,(H,28,33)/t18-,19+,24-/m1/s1" ; chebi:inchikey "UGPRBZOFAYTTOL-YDIMBITNSA-N" ; chebi:mass "516.631" ; chebi:monoisotopicmass "516.29479" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)C(=O)CN4CCOCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104567" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-5-[2-(4-morpholinyl)-1-oxoethyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_104568 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H40N4O5" ; chebi:inchi "InChI=1S/C25H40N4O5/c1-8-9-23(30)26-19-10-11-20-21(12-19)34-16-18(3)29(24(31)15-27(4)5)13-17(2)22(33-7)14-28(6)25(20)32/h10-12,17-18,22H,8-9,13-16H2,1-7H3,(H,26,30)/t17-,18-,22-/m1/s1" ; chebi:inchikey "REUNTGUOEHKOBZ-JBYIUTFZSA-N" ; chebi:mass "476.610" ; chebi:monoisotopicmass "476.29987" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@@H](CO2)C)C(=O)CN(C)C)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104568" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_104569 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-6-10-28-23(33)29-18-7-8-19-20(12-18)35-15-17(3)31(11-9-24(25,26)27)13-16(2)21(34-5)14-30(4)22(19)32/h7-8,12,16-17,21H,6,9-11,13-15H2,1-5H3,(H2,28,29,33)/t16-,17-,21+/m0/s1" ; chebi:inchikey "VNTQRTFIXZLISU-XGHQBKJUSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)CCC(F)(F)F)C)OC)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104569" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_10457 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16190 ; owl:deprecated true . obo:CHEBI_104570 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O5" ; chebi:inchi "InChI=1S/C29H50N4O5/c1-21-18-33(22(2)20-34)29(36)25-17-24(30-28(35)12-10-15-31(4)5)13-14-26(25)38-23(3)11-8-9-16-37-27(21)19-32(6)7/h13-14,17,21-23,27,34H,8-12,15-16,18-20H2,1-7H3,(H,30,35)/t21-,22+,23+,27-/m1/s1" ; chebi:inchikey "LTGDTYHJVMKPBL-GRSOWLQASA-N" ; chebi:mass "534.732" ; chebi:monoisotopicmass "534.37812" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104570" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104571 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O7S" ; chebi:inchi "InChI=1S/C31H47N3O7S/c1-22-18-34(23(2)21-35)31(36)28-17-26(32-42(6,37)38)12-15-29(28)41-24(3)9-7-8-16-40-30(22)20-33(4)19-25-10-13-27(39-5)14-11-25/h10-15,17,22-24,30,32,35H,7-9,16,18-21H2,1-6H3/t22-,23-,24-,30+/m0/s1" ; chebi:inchikey "XIVCQDXGZVVHDO-ZUHGBKBGSA-N" ; chebi:mass "605.788" ; chebi:monoisotopicmass "605.31347" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104571" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_104572 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H44N4O7" ; chebi:inchi "InChI=1S/C31H44N4O7/c1-20-16-35(21(2)18-36)30(37)25-14-23(32-31(38)33-24-10-12-27-28(15-24)41-19-40-27)9-11-26(25)42-22(3)8-6-7-13-39-29(20)17-34(4)5/h9-12,14-15,20-22,29,36H,6-8,13,16-19H2,1-5H3,(H2,32,33,38)/t20-,21+,22+,29-/m1/s1" ; chebi:inchikey "BFYBBBSDVFDXJC-KJRCIBJNSA-N" ; chebi:mass "584.705" ; chebi:monoisotopicmass "584.32100" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104572" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104573 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O7S" ; chebi:inchi "InChI=1S/C29H50N4O7S/c1-21-18-33(22(2)20-34)29(36)25-17-24(30-28(35)12-10-15-31(4)5)13-14-26(25)40-23(3)11-8-9-16-39-27(21)19-32(6)41(7,37)38/h13-14,17,21-23,27,34H,8-12,15-16,18-20H2,1-7H3,(H,30,35)/t21-,22-,23+,27-/m0/s1" ; chebi:inchikey "XJLXIOLTLBOFKC-TZKYFUQOSA-N" ; chebi:mass "598.797" ; chebi:monoisotopicmass "598.34002" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104573" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104574 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N3O5" ; chebi:inchi "InChI=1S/C32H47N3O5/c1-23-20-35(24(2)22-36)32(38)28-19-27(33(4)5)15-16-29(28)40-25(3)12-10-11-17-39-30(23)21-34(6)31(37)18-26-13-8-7-9-14-26/h7-9,13-16,19,23-25,30,36H,10-12,17-18,20-22H2,1-6H3/t23-,24-,25+,30-/m0/s1" ; chebi:inchikey "ZGCRSIABJPRXFC-INVAMZEASA-N" ; chebi:mass "553.734" ; chebi:monoisotopicmass "553.35157" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104574" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_104575 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H44N4O6" ; chebi:inchi "InChI=1S/C30H44N4O6/c1-20-18-34(21(2)19-35)29(36)26-16-24(33-30(37)32-23-9-12-25(38-5)13-10-23)11-14-27(26)40-22(3)8-6-7-15-39-28(20)17-31-4/h9-14,16,20-22,28,31,35H,6-8,15,17-19H2,1-5H3,(H2,32,33,37)/t20-,21-,22-,28-/m0/s1" ; chebi:inchikey "QZYXNEJVPTWBHC-STFWXSJUSA-N" ; chebi:mass "556.695" ; chebi:monoisotopicmass "556.32609" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104575" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_104576 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H45N3O5" ; chebi:inchi "InChI=1S/C31H45N3O5/c1-22-19-34(23(2)21-35)31(37)27-18-26(32-30(36)17-25-12-7-6-8-13-25)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-33(4)5/h6-8,12-15,18,22-24,29,35H,9-11,16-17,19-21H2,1-5H3,(H,32,36)/t22-,23+,24-,29+/m0/s1" ; chebi:inchikey "ZJHDPNYYPDHDNF-HNFJUSDZSA-N" ; chebi:mass "539.707" ; chebi:monoisotopicmass "539.33592" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104576" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_104577 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H45N3O5" ; chebi:inchi "InChI=1S/C31H45N3O5/c1-22-19-34(23(2)21-35)31(37)27-18-26(32-30(36)17-25-12-7-6-8-13-25)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-33(4)5/h6-8,12-15,18,22-24,29,35H,9-11,16-17,19-21H2,1-5H3,(H,32,36)/t22-,23-,24+,29+/m0/s1" ; chebi:inchikey "ZJHDPNYYPDHDNF-PHBCIFJZSA-N" ; chebi:mass "539.707" ; chebi:monoisotopicmass "539.33592" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104577" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_104578 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H46N4O5" ; chebi:inchi "InChI=1S/C31H46N4O5/c1-22-19-35(23(2)21-36)30(37)27-18-26(33(4)5)15-16-28(27)40-24(3)12-10-11-17-39-29(22)20-34(6)31(38)32-25-13-8-7-9-14-25/h7-9,13-16,18,22-24,29,36H,10-12,17,19-21H2,1-6H3,(H,32,38)/t22-,23-,24-,29+/m1/s1" ; chebi:inchikey "KAHNNCGHTWSOBA-XTGAJNFRSA-N" ; chebi:mass "554.722" ; chebi:monoisotopicmass "554.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104578" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_104579 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H44N4O6S" ; chebi:inchi "InChI=1S/C29H44N4O6S/c1-21-17-33(22(2)20-34)29(35)26-16-25(31-40(5,36)37)9-10-27(26)39-23(3)8-6-7-15-38-28(21)19-32(4)18-24-11-13-30-14-12-24/h9-14,16,21-23,28,31,34H,6-8,15,17-20H2,1-5H3/t21-,22+,23+,28+/m1/s1" ; chebi:inchikey "GAZXHMFIMHCKKU-FZVPRWPTSA-N" ; chebi:mass "576.750" ; chebi:monoisotopicmass "576.29816" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104579" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_10458 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15561 ; owl:deprecated true . obo:CHEBI_104580 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O6S" ; chebi:inchi "InChI=1S/C30H45N3O6S/c1-22-19-33(23(2)21-34)30(35)27-18-25(31(4)5)15-16-28(27)39-24(3)12-10-11-17-38-29(22)20-32(6)40(36,37)26-13-8-7-9-14-26/h7-9,13-16,18,22-24,29,34H,10-12,17,19-21H2,1-6H3/t22-,23+,24-,29+/m0/s1" ; chebi:inchikey "GPFIDTWNGXWRJK-HNFJUSDZSA-N" ; chebi:mass "575.762" ; chebi:monoisotopicmass "575.30291" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104580" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzenesulfonamide" . obo:CHEBI_104581 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H42ClN3O6S" ; chebi:inchi "InChI=1S/C29H42ClN3O6S/c1-20-17-33(21(2)19-34)29(35)26-16-24(31-40(36,37)25-12-9-23(30)10-13-25)11-14-27(26)39-22(3)8-6-7-15-38-28(20)18-32(4)5/h9-14,16,20-22,28,31,34H,6-8,15,17-19H2,1-5H3/t20-,21+,22-,28+/m0/s1" ; chebi:inchikey "GOBHPVUGCFRQAG-KJZXJLKKSA-N" ; chebi:mass "596.180" ; chebi:monoisotopicmass "595.24829" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104581" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_104582 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H44N4O5" ; chebi:inchi "InChI=1S/C30H44N4O5/c1-21-18-34(22(2)20-35)30(37)26-17-25(32(4)5)10-11-27(26)39-23(3)9-7-8-16-38-28(21)19-33(6)29(36)24-12-14-31-15-13-24/h10-15,17,21-23,28,35H,7-9,16,18-20H2,1-6H3/t21-,22-,23-,28+/m1/s1" ; chebi:inchikey "BRKIAEBRDYHMFE-IZXSZHORSA-N" ; chebi:mass "540.695" ; chebi:monoisotopicmass "540.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104582" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_104583 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H50N4O5" ; chebi:inchi "InChI=1S/C30H50N4O5/c1-21-18-34(22(2)20-35)29(36)26-17-25(32-30(37)31-24-12-7-6-8-13-24)14-15-27(26)39-23(3)11-9-10-16-38-28(21)19-33(4)5/h14-15,17,21-24,28,35H,6-13,16,18-20H2,1-5H3,(H2,31,32,37)/t21-,22+,23+,28+/m0/s1" ; chebi:inchikey "VUABGABXFJSUSX-TUEWKVEFSA-N" ; chebi:mass "546.743" ; chebi:monoisotopicmass "546.37812" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104583" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104584 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H43N5O6" ; chebi:inchi "InChI=1S/C28H43N5O6/c1-17-15-33(18(2)16-34)27(35)23-13-22(30-28(36)31-26-20(4)32-39-21(26)5)10-11-24(23)38-19(3)9-7-8-12-37-25(17)14-29-6/h10-11,13,17-19,25,29,34H,7-9,12,14-16H2,1-6H3,(H2,30,31,36)/t17-,18-,19+,25+/m0/s1" ; chebi:inchikey "OIOMLIQJBPNRTR-PLGVSFSBSA-N" ; chebi:mass "545.672" ; chebi:monoisotopicmass "545.32133" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104584" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104585 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25384 ; rdfs:subClassOf obo:CHEBI_83991 ; obo:IAO_0000115 "A monocarboxylic acid consisting of 2-(2-hydroxyphenyl)-4,5-dihydrothiazole having a carboxy group at the 4-position." ; chebi:charge "0" ; chebi:formula "C10H9NO3S" ; chebi:inchi "InChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)" ; chebi:inchikey "CECDPVOEINSAQG-UHFFFAOYSA-N" ; chebi:mass "223.24800" ; chebi:monoisotopicmass "223.03031" ; chebi:smiles "OC(=O)C1CSC(=N1)c1ccccc1O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104585" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "2-(2-hydroxyphenyl)-4,5-dihydrothiazole-4-carboxylic acid" . obo:CHEBI_104586 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_28494 . _:b322 rdf:type owl:Restriction . obo:CHEBI_104586 rdfs:subClassOf _:b322 . _:b322 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b323 rdf:type owl:Restriction . obo:CHEBI_104586 rdfs:subClassOf _:b323 . _:b323 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_15756 . obo:CHEBI_104586 obo:IAO_0000115 "A cardiolipin in which all four of the phosphatidyl acyl groups are specified as hexadecanoyl (pamitoyl)." ; chebi:charge "0" ; chebi:formula "C73H142O17P2" ; chebi:inchi "InChI=1S/C73H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h67-69,74H,5-66H2,1-4H3,(H,79,80)(H,81,82)/t68-,69-/m1/s1" ; chebi:inchikey "GRTNLBQYBYZCCM-ULKDXPJMSA-N" ; chebi:mass "1353.849" ; chebi:monoisotopicmass "1352.97223" ; chebi:smiles "[C@H](OC(CCCCCCCCCCCCCCC)=O)(COP(OCC(COP(OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)O)(O)=O)COC(CCCCCCCCCCCCCCC)=O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104586" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "tetrahexadecanoyl cardiolipin" . obo:CHEBI_104587 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H53N5O5" ; chebi:inchi "InChI=1S/C34H53N5O5/c1-25-21-39(26(2)24-40)34(42)30-20-29(36-33(41)11-9-18-37(4)5)12-13-31(30)44-27(3)10-7-8-19-43-32(25)23-38(6)22-28-14-16-35-17-15-28/h12-17,20,25-27,32,40H,7-11,18-19,21-24H2,1-6H3,(H,36,41)/t25-,26+,27+,32-/m1/s1" ; chebi:inchikey "ZCLFEQBFHRMJFK-JVPIYLDOSA-N" ; chebi:mass "611.816" ; chebi:monoisotopicmass "611.40467" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104587" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104588 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H47N3O4" ; chebi:inchi "InChI=1S/C27H47N3O4/c1-8-14-29(7)18-26-20(2)17-30(21(3)19-31)27(32)24-16-23(28(5)6)12-13-25(24)34-22(4)11-9-10-15-33-26/h12-13,16,20-22,26,31H,8-11,14-15,17-19H2,1-7H3/t20-,21+,22+,26-/m1/s1" ; chebi:inchikey "KFCLPYACNRFGCM-FYBXHKAZSA-N" ; chebi:mass "477.681" ; chebi:monoisotopicmass "477.35666" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104588" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_104589 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H45N5O6S" ; chebi:inchi "InChI=1S/C28H45N5O6S/c1-20-15-33(21(2)18-34)28(35)24-14-23(30(4)5)11-12-25(24)39-22(3)10-8-9-13-38-26(20)16-32(7)40(36,37)27-17-31(6)19-29-27/h11-12,14,17,19-22,26,34H,8-10,13,15-16,18H2,1-7H3/t20-,21-,22+,26-/m0/s1" ; chebi:inchikey "UJYZNBPSVBHVBP-IFOBJOEFSA-N" ; chebi:mass "579.754" ; chebi:monoisotopicmass "579.30906" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CN(C=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104589" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide" . obo:CHEBI_10459 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16941 ; owl:deprecated true . obo:CHEBI_104590 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H43N3O4" ; chebi:inchi "InChI=1S/C25H43N3O4/c1-18-15-28(19(2)17-29)25(30)22-14-21(27(6)7)11-12-23(22)32-20(3)10-8-9-13-31-24(18)16-26(4)5/h11-12,14,18-20,24,29H,8-10,13,15-17H2,1-7H3/t18-,19-,20+,24-/m0/s1" ; chebi:inchikey "PQNWFIFCFFWMJI-KTIHBUSBSA-N" ; chebi:mass "449.628" ; chebi:monoisotopicmass "449.32536" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104590" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,9R,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_104591 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H49N3O7S" ; chebi:inchi "InChI=1S/C30H49N3O7S/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-41(5,37)38)14-15-27(26)40-23(3)11-9-10-16-39-28(21)19-32(4)29(35)24-12-7-6-8-13-24/h14-15,17,21-24,28,31,34H,6-13,16,18-20H2,1-5H3/t21-,22-,23+,28+/m0/s1" ; chebi:inchikey "BJJOMMAJAORXGV-HIAVRWOZSA-N" ; chebi:mass "595.793" ; chebi:monoisotopicmass "595.32912" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)C3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104591" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide" . obo:CHEBI_104592 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H41N3O6S" ; chebi:inchi "InChI=1S/C28H41N3O6S/c1-20-18-31(21(2)19-32)28(33)25-16-23(30-38(34,35)24-11-6-5-7-12-24)13-14-26(25)37-22(3)10-8-9-15-36-27(20)17-29-4/h5-7,11-14,16,20-22,27,29-30,32H,8-10,15,17-19H2,1-4H3/t20-,21+,22-,27-/m1/s1" ; chebi:inchikey "JLURSCHFCUHCJF-RSOWOKRSSA-N" ; chebi:mass "547.709" ; chebi:monoisotopicmass "547.27161" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104592" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_104593 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H42N4O5" ; chebi:inchi "InChI=1S/C29H42N4O5/c1-20-17-33(21(2)19-34)29(36)25-16-24(31-28(35)23-11-13-30-14-12-23)9-10-26(25)38-22(3)8-6-7-15-37-27(20)18-32(4)5/h9-14,16,20-22,27,34H,6-8,15,17-19H2,1-5H3,(H,31,35)/t20-,21+,22-,27+/m0/s1" ; chebi:inchikey "FBKKOHUHBUWDTB-JLFWUPFSSA-N" ; chebi:mass "526.669" ; chebi:monoisotopicmass "526.31552" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104593" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_104594 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H45N3O8S" ; chebi:inchi "InChI=1S/C31H45N3O8S/c1-21-16-34(22(2)19-35)31(36)26-15-25(32-43(5,37)38)10-12-27(26)42-23(3)8-6-7-13-39-30(21)18-33(4)17-24-9-11-28-29(14-24)41-20-40-28/h9-12,14-15,21-23,30,32,35H,6-8,13,16-20H2,1-5H3/t21-,22-,23+,30+/m1/s1" ; chebi:inchikey "KQLDLPDWVHVVHP-LRKPSKMWSA-N" ; chebi:mass "619.772" ; chebi:monoisotopicmass "619.29274" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104594" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_104595 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H42ClN3O6S" ; chebi:inchi "InChI=1S/C29H42ClN3O6S/c1-20-17-33(21(2)19-34)29(35)26-16-24(31-40(36,37)25-12-9-23(30)10-13-25)11-14-27(26)39-22(3)8-6-7-15-38-28(20)18-32(4)5/h9-14,16,20-22,28,31,34H,6-8,15,17-19H2,1-5H3/t20-,21+,22+,28-/m1/s1" ; chebi:inchikey "GOBHPVUGCFRQAG-DCRAHPAHSA-N" ; chebi:mass "596.180" ; chebi:monoisotopicmass "595.24829" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104595" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_104596 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H48N4O5" ; chebi:inchi "InChI=1S/C29H48N4O5/c1-20-18-33(21(2)19-34)28(35)25-16-24(32-29(36)31-23-11-6-5-7-12-23)13-14-26(25)38-22(3)10-8-9-15-37-27(20)17-30-4/h13-14,16,20-23,27,30,34H,5-12,15,17-19H2,1-4H3,(H2,31,32,36)/t20-,21+,22-,27+/m1/s1" ; chebi:inchikey "HLGABPGRBQKPOU-RYBWSMFQSA-N" ; chebi:mass "532.716" ; chebi:monoisotopicmass "532.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104596" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104597 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H44FN3O6S" ; chebi:inchi "InChI=1S/C30H44FN3O6S/c1-21-18-34(22(2)20-35)30(36)27-17-25(32(4)5)12-15-28(27)40-23(3)9-7-8-16-39-29(21)19-33(6)41(37,38)26-13-10-24(31)11-14-26/h10-15,17,21-23,29,35H,7-9,16,18-20H2,1-6H3/t21-,22-,23+,29-/m0/s1" ; chebi:inchikey "MEJMTXOOFVGIJM-DGGNIJSCSA-N" ; chebi:mass "593.752" ; chebi:monoisotopicmass "593.29349" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104597" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_104598 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H46F3N3O5" ; chebi:inchi "InChI=1S/C33H46F3N3O5/c1-23-19-39(24(2)22-40)32(42)28-18-27(37-31(41)15-16-33(34,35)36)13-14-29(28)44-25(3)10-8-9-17-43-30(23)21-38(4)20-26-11-6-5-7-12-26/h5-7,11-14,18,23-25,30,40H,8-10,15-17,19-22H2,1-4H3,(H,37,41)/t23-,24-,25+,30-/m1/s1" ; chebi:inchikey "OMPYFAIFRLVIFJ-ZASNTINBSA-N" ; chebi:mass "621.732" ; chebi:monoisotopicmass "621.33896" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104598" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104599 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H49N3O7S" ; chebi:inchi "InChI=1S/C30H49N3O7S/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-41(5,37)38)14-15-27(26)40-23(3)11-9-10-16-39-28(21)19-32(4)29(35)24-12-7-6-8-13-24/h14-15,17,21-24,28,31,34H,6-13,16,18-20H2,1-5H3/t21-,22-,23-,28-/m1/s1" ; chebi:inchikey "BJJOMMAJAORXGV-TZTMDHJLSA-N" ; chebi:mass "595.793" ; chebi:monoisotopicmass "595.32912" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104599" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide" . obo:CHEBI_1046 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C6H7ClN2.HCl" ; chebi:inchi "InChI=1S/C6H7ClN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H" ; chebi:inchikey "ADODRSVGNHNKAT-UHFFFAOYSA-N" ; chebi:mass "179.040" ; chebi:monoisotopicmass "178.00645" ; chebi:smiles "Cl.NNc1ccccc1Cl" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:1046" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-Chlorophenylhydrazine hydrochloride" . obo:CHEBI_10460 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17095 ; owl:deprecated true . obo:CHEBI_104600 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H42F3N3O7S" ; chebi:inchi "InChI=1S/C27H42F3N3O7S/c1-18-15-33(19(2)17-34)26(36)22-14-21(31-41(5,37)38)9-10-23(22)40-20(3)8-6-7-13-39-24(18)16-32(4)25(35)11-12-27(28,29)30/h9-10,14,18-20,24,31,34H,6-8,11-13,15-17H2,1-5H3/t18-,19+,20+,24+/m0/s1" ; chebi:inchikey "LBVOXJOHMPITGR-UECWXEIQSA-N" ; chebi:mass "609.701" ; chebi:monoisotopicmass "609.26956" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104600" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_104601 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H51N3O5" ; chebi:inchi "InChI=1S/C31H51N3O5/c1-22-19-34(23(2)21-35)31(37)27-18-26(32(4)5)15-16-28(27)39-24(3)12-10-11-17-38-29(22)20-33(6)30(36)25-13-8-7-9-14-25/h15-16,18,22-25,29,35H,7-14,17,19-21H2,1-6H3/t22-,23+,24+,29-/m0/s1" ; chebi:inchikey "QUSLWNNTNFDPAB-SEAFADMZSA-N" ; chebi:mass "545.755" ; chebi:monoisotopicmass "545.38287" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104601" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide" . obo:CHEBI_104602 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N3O6S" ; chebi:inchi "InChI=1S/C30H51N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h14-15,17,22-25,29,31,34H,6-13,16,18-21H2,1-5H3/t22-,23+,24+,29+/m0/s1" ; chebi:inchikey "MOSVBDAIGOGSPE-CMSZEEODSA-N" ; chebi:mass "581.810" ; chebi:monoisotopicmass "581.34986" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104602" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_104603 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H43N3O6S2" ; chebi:inchi "InChI=1S/C28H43N3O6S2/c1-20-17-31(21(2)19-32)28(33)24-16-23(29(4)5)12-13-25(24)37-22(3)10-7-8-14-36-26(20)18-30(6)39(34,35)27-11-9-15-38-27/h9,11-13,15-16,20-22,26,32H,7-8,10,14,17-19H2,1-6H3/t20-,21+,22-,26+/m1/s1" ; chebi:inchikey "ANVCKVJMNHXGBG-SRCYTUNASA-N" ; chebi:mass "581.791" ; chebi:monoisotopicmass "581.25933" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104603" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-thiophenesulfonamide" . obo:CHEBI_104604 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H45N5O6S" ; chebi:inchi "InChI=1S/C28H45N5O6S/c1-20-15-33(21(2)18-34)28(35)24-14-23(30(4)5)11-12-25(24)39-22(3)10-8-9-13-38-26(20)16-32(7)40(36,37)27-17-31(6)19-29-27/h11-12,14,17,19-22,26,34H,8-10,13,15-16,18H2,1-7H3/t20-,21-,22+,26+/m0/s1" ; chebi:inchikey "UJYZNBPSVBHVBP-BTKWVRSESA-N" ; chebi:mass "579.754" ; chebi:monoisotopicmass "579.30906" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CN(C=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104604" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide" . obo:CHEBI_104605 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H46F3N3O5" ; chebi:inchi "InChI=1S/C33H46F3N3O5/c1-23-19-39(24(2)22-40)32(42)28-18-27(37-31(41)15-16-33(34,35)36)13-14-29(28)44-25(3)10-8-9-17-43-30(23)21-38(4)20-26-11-6-5-7-12-26/h5-7,11-14,18,23-25,30,40H,8-10,15-17,19-22H2,1-4H3,(H,37,41)/t23-,24+,25-,30+/m1/s1" ; chebi:inchikey "OMPYFAIFRLVIFJ-ZXPXOXBPSA-N" ; chebi:mass "621.732" ; chebi:monoisotopicmass "621.33896" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104605" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104606 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H43N3O7S" ; chebi:inchi "InChI=1S/C30H43N3O7S/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-29(35)24-12-7-6-8-13-24)14-15-27(26)40-23(3)11-9-10-16-39-28(21)19-32(4)41(5,37)38/h6-8,12-15,17,21-23,28,34H,9-11,16,18-20H2,1-5H3,(H,31,35)/t21-,22-,23+,28+/m0/s1" ; chebi:inchikey "XHZKQAVNDGMQPU-HIAVRWOZSA-N" ; chebi:mass "589.746" ; chebi:monoisotopicmass "589.28217" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104606" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_104607 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H48N4O5" ; chebi:inchi "InChI=1S/C32H48N4O5/c1-6-17-35(5)21-30-23(2)20-36(24(3)22-37)31(38)28-19-27(34-32(39)33-26-13-8-7-9-14-26)15-16-29(28)41-25(4)12-10-11-18-40-30/h7-9,13-16,19,23-25,30,37H,6,10-12,17-18,20-22H2,1-5H3,(H2,33,34,39)/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "MWWGHCHVGSQFNB-RZDWVWPCSA-N" ; chebi:mass "568.749" ; chebi:monoisotopicmass "568.36247" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104607" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_104608 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H46N4O4" ; chebi:inchi "InChI=1S/C30H46N4O4/c1-22-18-34(23(2)21-35)30(36)27-17-26(32(4)5)10-11-28(27)38-24(3)9-7-8-16-37-29(22)20-33(6)19-25-12-14-31-15-13-25/h10-15,17,22-24,29,35H,7-9,16,18-21H2,1-6H3/t22-,23-,24+,29-/m1/s1" ; chebi:inchikey "ZQLCRBSTGDSWQO-IDCDSMMUSA-N" ; chebi:mass "526.712" ; chebi:monoisotopicmass "526.35191" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104608" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_104609 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N3O5" ; chebi:inchi "InChI=1S/C33H49N3O5/c1-6-17-35(5)22-31-24(2)21-36(25(3)23-37)33(39)29-20-28(34-32(38)19-27-13-8-7-9-14-27)15-16-30(29)41-26(4)12-10-11-18-40-31/h7-9,13-16,20,24-26,31,37H,6,10-12,17-19,21-23H2,1-5H3,(H,34,38)/t24-,25+,26+,31-/m0/s1" ; chebi:inchikey "HWWNGGYYBIBPCQ-PXFJVXAFSA-N" ; chebi:mass "567.761" ; chebi:monoisotopicmass "567.36722" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104609" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_104610 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O5" ; chebi:inchi "InChI=1S/C32H49N3O5/c1-23-19-35(24(2)22-36)32(37)29-18-27(33(4)5)13-16-30(29)40-25(3)10-8-9-17-39-31(23)21-34(6)20-26-11-14-28(38-7)15-12-26/h11-16,18,23-25,31,36H,8-10,17,19-22H2,1-7H3/t23-,24+,25-,31+/m1/s1" ; chebi:inchikey "HLAXWBUNQRUQJP-FXIKWKPTSA-N" ; chebi:mass "555.750" ; chebi:monoisotopicmass "555.36722" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104610" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_104611 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H54N4O5" ; chebi:inchi "InChI=1S/C35H54N4O5/c1-26-22-39(27(2)25-40)35(42)31-21-30(36-34(41)16-12-19-37(4)5)17-18-32(31)44-28(3)13-10-11-20-43-33(26)24-38(6)23-29-14-8-7-9-15-29/h7-9,14-15,17-18,21,26-28,33,40H,10-13,16,19-20,22-25H2,1-6H3,(H,36,41)/t26-,27-,28+,33+/m1/s1" ; chebi:inchikey "YHPMBPSGDQLXHP-RPWGJLQWSA-N" ; chebi:mass "610.828" ; chebi:monoisotopicmass "610.40942" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104611" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104612 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H43N3O6S" ; chebi:inchi "InChI=1S/C29H43N3O6S/c1-21-18-32(22(2)20-33)29(34)26-17-24(30-39(35,36)25-12-7-6-8-13-25)14-15-27(26)38-23(3)11-9-10-16-37-28(21)19-31(4)5/h6-8,12-15,17,21-23,28,30,33H,9-11,16,18-20H2,1-5H3/t21-,22+,23+,28+/m0/s1" ; chebi:inchikey "DKJIIKWCTXJSNY-TUEWKVEFSA-N" ; chebi:mass "561.735" ; chebi:monoisotopicmass "561.28726" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104612" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_104613 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H45N3O5" ; chebi:inchi "InChI=1S/C31H45N3O5/c1-22-19-34(23(2)21-35)31(37)27-18-26(32(4)5)15-16-28(27)39-24(3)12-10-11-17-38-29(22)20-33(6)30(36)25-13-8-7-9-14-25/h7-9,13-16,18,22-24,29,35H,10-12,17,19-21H2,1-6H3/t22-,23+,24+,29-/m1/s1" ; chebi:inchikey "IMDGVULVCKQBDZ-CAFXQFFASA-N" ; chebi:mass "539.707" ; chebi:monoisotopicmass "539.33592" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104613" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide" . obo:CHEBI_104614 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H50N4O6" ; chebi:inchi "InChI=1S/C35H50N4O6/c1-24-21-39(25(2)23-40)35(43)30-20-29(37-33(41)27-11-6-5-7-12-27)13-14-31(30)45-26(3)10-8-9-19-44-32(24)22-38(4)34(42)28-15-17-36-18-16-28/h13-18,20,24-27,32,40H,5-12,19,21-23H2,1-4H3,(H,37,41)/t24-,25-,26+,32+/m0/s1" ; chebi:inchikey "OQPYQZIBKYAWRE-KYFCECMNSA-N" ; chebi:mass "622.796" ; chebi:monoisotopicmass "622.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104614" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10S)-16-[[cyclohexyl(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_104615 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O7S" ; chebi:inchi "InChI=1S/C31H47N3O7S/c1-22-19-34(23(2)21-35)31(36)28-18-25(32(4)5)11-16-29(28)41-24(3)10-8-9-17-40-30(22)20-33(6)42(37,38)27-14-12-26(39-7)13-15-27/h11-16,18,22-24,30,35H,8-10,17,19-21H2,1-7H3/t22-,23-,24+,30-/m0/s1" ; chebi:inchikey "OKIGVZMNGZVCJM-WAHOFHFDSA-N" ; chebi:mass "605.788" ; chebi:monoisotopicmass "605.31347" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104615" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide" . obo:CHEBI_104616 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O7S" ; chebi:inchi "InChI=1S/C29H50N4O7S/c1-21-18-33(22(2)20-34)29(36)25-17-24(30-41(7,37)38)13-14-26(25)40-23(3)11-8-9-16-39-27(21)19-32(6)28(35)12-10-15-31(4)5/h13-14,17,21-23,27,30,34H,8-12,15-16,18-20H2,1-7H3/t21-,22+,23-,27-/m1/s1" ; chebi:inchikey "MTZUJVYQNWSRMQ-QSGNWFJVSA-N" ; chebi:mass "598.797" ; chebi:monoisotopicmass "598.34002" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104616" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_104617 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H46F3N3O5" ; chebi:inchi "InChI=1S/C29H46F3N3O5/c1-6-14-34(5)18-26-20(2)17-35(21(3)19-36)28(38)24-16-23(33-27(37)12-13-29(30,31)32)10-11-25(24)40-22(4)9-7-8-15-39-26/h10-11,16,20-22,26,36H,6-9,12-15,17-19H2,1-5H3,(H,33,37)/t20-,21+,22-,26-/m1/s1" ; chebi:inchikey "ZWQRBFIYGZIGKO-UXGLMHHASA-N" ; chebi:mass "573.689" ; chebi:monoisotopicmass "573.33896" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104617" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104618 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H49N3O7S" ; chebi:inchi "InChI=1S/C30H49N3O7S/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-29(35)24-12-7-6-8-13-24)14-15-27(26)40-23(3)11-9-10-16-39-28(21)19-32(4)41(5,37)38/h14-15,17,21-24,28,34H,6-13,16,18-20H2,1-5H3,(H,31,35)/t21-,22-,23+,28+/m1/s1" ; chebi:inchikey "XEPWKRSQLBTXFU-DHMIZTNRSA-N" ; chebi:mass "595.793" ; chebi:monoisotopicmass "595.32912" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)S(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104618" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_104619 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H60N4O5" ; chebi:inchi "InChI=1S/C35H60N4O5/c1-26-22-39(27(2)25-40)35(42)31-21-30(36-34(41)16-12-19-37(4)5)17-18-32(31)44-28(3)13-10-11-20-43-33(26)24-38(6)23-29-14-8-7-9-15-29/h17-18,21,26-29,33,40H,7-16,19-20,22-25H2,1-6H3,(H,36,41)/t26-,27+,28+,33+/m1/s1" ; chebi:inchikey "XXBVUIDNUVBELT-VQSVPOMMSA-N" ; chebi:mass "616.876" ; chebi:monoisotopicmass "616.45637" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104619" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide" . obo:CHEBI_104620 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H41FN4O5" ; chebi:inchi "InChI=1S/C29H41FN4O5/c1-19-17-34(20(2)18-35)28(36)25-15-24(33-29(37)32-23-10-8-22(30)9-11-23)12-13-26(25)39-21(3)7-5-6-14-38-27(19)16-31-4/h8-13,15,19-21,27,31,35H,5-7,14,16-18H2,1-4H3,(H2,32,33,37)/t19-,20+,21+,27-/m0/s1" ; chebi:inchikey "QNMRQELCDYNENZ-XTYKIWRDSA-N" ; chebi:mass "544.659" ; chebi:monoisotopicmass "544.30610" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104620" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-fluorophenyl)-3-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104621 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H46N4O5" ; chebi:inchi "InChI=1S/C34H46N4O5/c1-23-20-38(24(2)22-39)33(40)29-19-27(35-34(41)36-30-15-10-13-26-12-6-7-14-28(26)30)16-17-31(29)43-25(3)11-8-9-18-42-32(23)21-37(4)5/h6-7,10,12-17,19,23-25,32,39H,8-9,11,18,20-22H2,1-5H3,(H2,35,36,41)/t23-,24-,25+,32-/m0/s1" ; chebi:inchikey "HBVPERRGRWZCML-IIWJAMIWSA-N" ; chebi:mass "590.754" ; chebi:monoisotopicmass "590.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104621" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea" . obo:CHEBI_104622 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H42N4O7" ; chebi:inchi "InChI=1S/C30H42N4O7/c1-19-16-34(20(2)17-35)29(36)24-13-22(32-30(37)33-23-9-11-26-27(14-23)40-18-39-26)8-10-25(24)41-21(3)7-5-6-12-38-28(19)15-31-4/h8-11,13-14,19-21,28,31,35H,5-7,12,15-18H2,1-4H3,(H2,32,33,37)/t19-,20+,21-,28-/m1/s1" ; chebi:inchikey "DZFCVSNNMFSZPA-FTSHWFHSSA-N" ; chebi:mass "570.678" ; chebi:monoisotopicmass "570.30535" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104622" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,3-benzodioxol-5-yl)-3-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104623 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H50N4O6" ; chebi:inchi "InChI=1S/C35H50N4O6/c1-24-21-39(25(2)23-40)35(43)30-20-29(37-33(41)27-11-6-5-7-12-27)13-14-31(30)45-26(3)10-8-9-19-44-32(24)22-38(4)34(42)28-15-17-36-18-16-28/h13-18,20,24-27,32,40H,5-12,19,21-23H2,1-4H3,(H,37,41)/t24-,25+,26-,32+/m1/s1" ; chebi:inchikey "OQPYQZIBKYAWRE-IXTDCBFRSA-N" ; chebi:mass "622.796" ; chebi:monoisotopicmass "622.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104623" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-16-[[cyclohexyl(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_104624 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H43F3N4O5" ; chebi:inchi "InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21-,22-,28+/m0/s1" ; chebi:inchikey "GMYAYTAKTSTYEI-MIUQQGMZSA-N" ; chebi:mass "608.693" ; chebi:monoisotopicmass "608.31855" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104624" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_104625 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H52N4O6" ; chebi:inchi "InChI=1S/C34H52N4O6/c1-23(2)35-34(41)36-28-13-16-31-30(18-28)33(40)38(25(4)22-39)19-24(3)32(43-17-9-8-10-26(5)44-31)21-37(6)20-27-11-14-29(42-7)15-12-27/h11-16,18,23-26,32,39H,8-10,17,19-22H2,1-7H3,(H2,35,36,41)/t24-,25+,26-,32+/m1/s1" ; chebi:inchikey "JCVAFPCEYZSYDX-IXTDCBFRSA-N" ; chebi:mass "612.801" ; chebi:monoisotopicmass "612.38869" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104625" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_104626 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H52N4O6" ; chebi:inchi "InChI=1S/C35H52N4O6/c1-25-22-39(26(2)24-40)35(43)30-21-29(36-34(42)28-14-8-7-9-15-28)17-18-31(30)45-27(3)13-10-11-20-44-32(25)23-38(6)33(41)16-12-19-37(4)5/h7-9,14-15,17-18,21,25-27,32,40H,10-13,16,19-20,22-24H2,1-6H3,(H,36,42)/t25-,26-,27-,32-/m0/s1" ; chebi:inchikey "ZMTJRORPEDZKCY-UCDUTVGFSA-N" ; chebi:mass "624.812" ; chebi:monoisotopicmass "624.38869" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104626" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_104627 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H46N4O4" ; chebi:inchi "InChI=1S/C30H46N4O4/c1-22-18-34(23(2)21-35)30(36)27-17-26(32(4)5)10-11-28(27)38-24(3)9-7-8-16-37-29(22)20-33(6)19-25-12-14-31-15-13-25/h10-15,17,22-24,29,35H,7-9,16,18-21H2,1-6H3/t22-,23-,24-,29-/m1/s1" ; chebi:inchikey "ZQLCRBSTGDSWQO-RWJVBYDYSA-N" ; chebi:mass "526.712" ; chebi:monoisotopicmass "526.35191" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104627" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_104628 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H52N4O5" ; chebi:inchi "InChI=1S/C30H52N4O5/c1-22-19-34(23(2)21-35)30(37)26-18-25(32(6)7)14-15-27(26)39-24(3)12-9-10-17-38-28(22)20-33(8)29(36)13-11-16-31(4)5/h14-15,18,22-24,28,35H,9-13,16-17,19-21H2,1-8H3/t22-,23-,24+,28-/m0/s1" ; chebi:inchikey "FCDOAUZTELHSSL-UKWMHNODSA-N" ; chebi:mass "548.759" ; chebi:monoisotopicmass "548.39377" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104628" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_104629 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H44N4O5" ; chebi:inchi "InChI=1S/C30H44N4O5/c1-21-18-34(22(2)20-35)30(37)26-17-25(32(4)5)10-11-27(26)39-23(3)9-7-8-16-38-28(21)19-33(6)29(36)24-12-14-31-15-13-24/h10-15,17,21-23,28,35H,7-9,16,18-20H2,1-6H3/t21-,22+,23-,28-/m0/s1" ; chebi:inchikey "BRKIAEBRDYHMFE-KYALDGGBSA-N" ; chebi:mass "540.695" ; chebi:monoisotopicmass "540.33117" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104629" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_10463 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28974 ; owl:deprecated true . obo:CHEBI_104630 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)36(6)19-29-22(3)18-37(23(4)20-38)31(40)27-17-26(35-30(39)25-12-14-33-15-13-25)10-11-28(27)43-24(5)9-7-8-16-42-29/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H,34,41)(H,35,39)/t22-,23-,24-,29-/m1/s1" ; chebi:inchikey "SEDRIVHSDUVLLE-RWJVBYDYSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104630" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_104631 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H52N4O6" ; chebi:inchi "InChI=1S/C34H52N4O6/c1-23(2)35-34(41)36-28-13-16-31-30(18-28)33(40)38(25(4)22-39)19-24(3)32(43-17-9-8-10-26(5)44-31)21-37(6)20-27-11-14-29(42-7)15-12-27/h11-16,18,23-26,32,39H,8-10,17,19-22H2,1-7H3,(H2,35,36,41)/t24-,25+,26+,32+/m0/s1" ; chebi:inchikey "JCVAFPCEYZSYDX-MQBJWECPSA-N" ; chebi:mass "612.801" ; chebi:monoisotopicmass "612.38869" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104631" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_104632 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H47N3O5" ; chebi:inchi "InChI=1S/C29H47N3O5/c1-20-18-32(21(2)19-33)29(35)25-16-24(31-28(34)23-11-6-5-7-12-23)13-14-26(25)37-22(3)10-8-9-15-36-27(20)17-30-4/h13-14,16,20-23,27,30,33H,5-12,15,17-19H2,1-4H3,(H,31,34)/t20-,21-,22-,27-/m1/s1" ; chebi:inchikey "JMPHEZKYQLUQMM-XAYSYOTPSA-N" ; chebi:mass "517.702" ; chebi:monoisotopicmass "517.35157" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104632" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_104633 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H44N4O5" ; chebi:inchi "InChI=1S/C30H44N4O5/c1-21-18-34(22(2)20-35)30(37)26-17-25(32(4)5)10-11-27(26)39-23(3)9-7-8-16-38-28(21)19-33(6)29(36)24-12-14-31-15-13-24/h10-15,17,21-23,28,35H,7-9,16,18-20H2,1-6H3/t21-,22+,23+,28-/m0/s1" ; chebi:inchikey "BRKIAEBRDYHMFE-FPZRTEDSSA-N" ; chebi:mass "540.695" ; chebi:monoisotopicmass "540.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104633" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_104634 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)35-27-15-16-29-28(18-27)32(40)37(24(4)21-38)19-23(3)30(42-17-11-10-12-25(5)43-29)20-36(6)31(39)26-13-8-7-9-14-26/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H2,34,35,41)/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "KOPUKDVKYXJRIR-FJRSXGRASA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104634" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide" . obo:CHEBI_104635 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H44N4O6" ; chebi:inchi "InChI=1S/C30H44N4O6/c1-20-18-34(21(2)19-35)29(36)26-16-24(33-30(37)32-23-9-12-25(38-5)13-10-23)11-14-27(26)40-22(3)8-6-7-15-39-28(20)17-31-4/h9-14,16,20-22,28,31,35H,6-8,15,17-19H2,1-5H3,(H2,32,33,37)/t20-,21+,22-,28-/m1/s1" ; chebi:inchikey "QZYXNEJVPTWBHC-BUUPBASBSA-N" ; chebi:mass "556.695" ; chebi:monoisotopicmass "556.32609" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104635" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_104636 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H52N4O5" ; chebi:inchi "InChI=1S/C35H52N4O5/c1-25-21-39(26(2)24-40)35(42)31-20-30(37-34(41)29-11-6-5-7-12-29)13-14-32(31)44-27(3)10-8-9-19-43-33(25)23-38(4)22-28-15-17-36-18-16-28/h13-18,20,25-27,29,33,40H,5-12,19,21-24H2,1-4H3,(H,37,41)/t25-,26-,27-,33-/m1/s1" ; chebi:inchikey "FHYFYPZRCDKSKV-BXWHCVCYSA-N" ; chebi:mass "608.813" ; chebi:monoisotopicmass "608.39377" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104636" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_104637 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H46F3N3O5" ; chebi:inchi "InChI=1S/C33H46F3N3O5/c1-23-19-39(24(2)22-40)32(42)28-18-27(37-31(41)15-16-33(34,35)36)13-14-29(28)44-25(3)10-8-9-17-43-30(23)21-38(4)20-26-11-6-5-7-12-26/h5-7,11-14,18,23-25,30,40H,8-10,15-17,19-22H2,1-4H3,(H,37,41)/t23-,24-,25+,30+/m1/s1" ; chebi:inchikey "OMPYFAIFRLVIFJ-ZRIOWSNCSA-N" ; chebi:mass "621.732" ; chebi:monoisotopicmass "621.33896" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104637" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104638 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H41N3O6S" ; chebi:inchi "InChI=1S/C24H41N3O6S/c1-17-14-27(18(2)16-28)24(29)21-13-20(25-34(6,30)31)10-11-22(21)33-19(3)9-7-8-12-32-23(17)15-26(4)5/h10-11,13,17-19,23,25,28H,7-9,12,14-16H2,1-6H3/t17-,18-,19-,23+/m0/s1" ; chebi:inchikey "HNAHSZOZZNPVNF-KEXUJGGDSA-N" ; chebi:mass "499.666" ; chebi:monoisotopicmass "499.27161" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104638" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_104639 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H45F3N4O5" ; chebi:inchi "InChI=1S/C32H45F3N4O5/c1-21-18-39(22(2)20-40)30(41)27-17-26(37(4)5)14-15-28(27)44-23(3)9-7-8-16-43-29(21)19-38(6)31(42)36-25-12-10-24(11-13-25)32(33,34)35/h10-15,17,21-23,29,40H,7-9,16,18-20H2,1-6H3,(H,36,42)/t21-,22-,23-,29-/m1/s1" ; chebi:inchikey "QSYAMXVABCSWEP-PZNASWHRSA-N" ; chebi:mass "622.720" ; chebi:monoisotopicmass "622.33421" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104639" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_10464 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15599 ; owl:deprecated true . obo:CHEBI_104640 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O7S" ; chebi:inchi "InChI=1S/C31H47N3O7S/c1-22-19-34(23(2)21-35)31(36)28-18-25(32(4)5)11-16-29(28)41-24(3)10-8-9-17-40-30(22)20-33(6)42(37,38)27-14-12-26(39-7)13-15-27/h11-16,18,22-24,30,35H,8-10,17,19-21H2,1-7H3/t22-,23-,24-,30-/m0/s1" ; chebi:inchikey "OKIGVZMNGZVCJM-CQUCHYGKSA-N" ; chebi:mass "605.788" ; chebi:monoisotopicmass "605.31347" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104640" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide" . obo:CHEBI_104641 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H48N4O5" ; chebi:inchi "InChI=1S/C35H48N4O5/c1-24-21-39(25(2)23-40)34(41)30-20-28(37(4)5)17-18-32(30)44-26(3)12-9-10-19-43-33(24)22-38(6)35(42)36-31-16-11-14-27-13-7-8-15-29(27)31/h7-8,11,13-18,20,24-26,33,40H,9-10,12,19,21-23H2,1-6H3,(H,36,42)/t24-,25-,26+,33+/m1/s1" ; chebi:inchikey "UBYZDEGPUXBRQE-DWAIMSSFSA-N" ; chebi:mass "604.781" ; chebi:monoisotopicmass "604.36247" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104641" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea" . obo:CHEBI_104642 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H44N4O5" ; chebi:inchi "InChI=1S/C30H44N4O5/c1-21-18-34(22(2)20-35)29(36)26-17-25(32-30(37)31-24-12-7-6-8-13-24)14-15-27(26)39-23(3)11-9-10-16-38-28(21)19-33(4)5/h6-8,12-15,17,21-23,28,35H,9-11,16,18-20H2,1-5H3,(H2,31,32,37)/t21-,22-,23-,28-/m0/s1" ; chebi:inchikey "OWRRZEUGKXIWTQ-AMZZYFJHSA-N" ; chebi:mass "540.695" ; chebi:monoisotopicmass "540.33117" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104642" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_104643 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O7" ; chebi:inchi "InChI=1S/C33H48N4O7/c1-6-14-36(5)19-31-22(2)18-37(23(3)20-38)32(39)27-16-25(10-12-28(27)44-24(4)9-7-8-15-41-31)34-33(40)35-26-11-13-29-30(17-26)43-21-42-29/h10-13,16-17,22-24,31,38H,6-9,14-15,18-21H2,1-5H3,(H2,34,35,40)/t22-,23-,24-,31+/m0/s1" ; chebi:inchikey "XLNHBFSEXGTYPK-ILSPQUDCSA-N" ; chebi:mass "612.758" ; chebi:monoisotopicmass "612.35230" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104643" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104644 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H44FN3O6S" ; chebi:inchi "InChI=1S/C30H44FN3O6S/c1-21-18-34(22(2)20-35)30(36)27-17-25(32(4)5)12-15-28(27)40-23(3)9-7-8-16-39-29(21)19-33(6)41(37,38)26-13-10-24(31)11-14-26/h10-15,17,21-23,29,35H,7-9,16,18-20H2,1-6H3/t21-,22+,23-,29-/m1/s1" ; chebi:inchikey "MEJMTXOOFVGIJM-CPVANYHMSA-N" ; chebi:mass "593.752" ; chebi:monoisotopicmass "593.29349" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104644" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_104645 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O6S" ; chebi:inchi "InChI=1S/C31H47N3O6S/c1-22-11-14-27(15-12-22)41(37,38)33(7)20-30-23(2)19-34(24(3)21-35)31(36)28-18-26(32(5)6)13-16-29(28)40-25(4)10-8-9-17-39-30/h11-16,18,23-25,30,35H,8-10,17,19-21H2,1-7H3/t23-,24-,25-,30-/m1/s1" ; chebi:inchikey "HYZLHQOJAWWHRH-SFOWLQBLSA-N" ; chebi:mass "589.789" ; chebi:monoisotopicmass "589.31856" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104645" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_104646 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H48N4O6" ; chebi:inchi "InChI=1S/C32H48N4O6/c1-22-19-36(23(2)21-37)31(38)28-18-26(34(4)5)13-16-29(28)42-24(3)10-8-9-17-41-30(22)20-35(6)32(39)33-25-11-14-27(40-7)15-12-25/h11-16,18,22-24,30,37H,8-10,17,19-21H2,1-7H3,(H,33,39)/t22-,23-,24-,30-/m0/s1" ; chebi:inchikey "IYJPIDGCXVWPNR-CQUCHYGKSA-N" ; chebi:mass "584.748" ; chebi:monoisotopicmass "584.35739" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104646" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea" . obo:CHEBI_104647 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O5" ; chebi:inchi "InChI=1S/C32H46N4O5/c1-22-18-36(23(2)21-37)32(39)28-17-27(34-31(38)26-12-14-33-15-13-26)10-11-29(28)41-24(3)7-5-6-16-40-30(22)20-35(4)19-25-8-9-25/h10-15,17,22-25,30,37H,5-9,16,18-21H2,1-4H3,(H,34,38)/t22-,23+,24-,30+/m0/s1" ; chebi:inchikey "YDCDOYMHDVYTIM-WUBQMYJQSA-N" ; chebi:mass "566.733" ; chebi:monoisotopicmass "566.34682" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104647" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_104648 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H54N4O5" ; chebi:inchi "InChI=1S/C35H54N4O5/c1-26-22-39(27(2)25-40)35(42)31-21-30(36-34(41)16-12-19-37(4)5)17-18-32(31)44-28(3)13-10-11-20-43-33(26)24-38(6)23-29-14-8-7-9-15-29/h7-9,14-15,17-18,21,26-28,33,40H,10-13,16,19-20,22-25H2,1-6H3,(H,36,41)/t26-,27-,28+,33-/m0/s1" ; chebi:inchikey "YHPMBPSGDQLXHP-ZQOCDUSVSA-N" ; chebi:mass "610.828" ; chebi:monoisotopicmass "610.40942" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104648" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104649 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H41N3O5" ; chebi:inchi "InChI=1S/C29H41N3O5/c1-20-18-32(21(2)19-33)29(35)25-16-24(31-28(34)23-11-6-5-7-12-23)13-14-26(25)37-22(3)10-8-9-15-36-27(20)17-30-4/h5-7,11-14,16,20-22,27,30,33H,8-10,15,17-19H2,1-4H3,(H,31,34)/t20-,21+,22+,27+/m0/s1" ; chebi:inchikey "AOLQWFIMADKXQA-HRGDABNKSA-N" ; chebi:mass "511.654" ; chebi:monoisotopicmass "511.30462" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104649" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_10465 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_46743 ; owl:deprecated true . obo:CHEBI_104650 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H43N3O5" ; chebi:inchi "InChI=1S/C30H43N3O5/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-29(35)24-12-7-6-8-13-24)14-15-27(26)38-23(3)11-9-10-16-37-28(21)19-32(4)5/h6-8,12-15,17,21-23,28,34H,9-11,16,18-20H2,1-5H3,(H,31,35)/t21-,22-,23-,28-/m1/s1" ; chebi:inchikey "LQSMEYMBJWSEPC-TZTMDHJLSA-N" ; chebi:mass "525.681" ; chebi:monoisotopicmass "525.32027" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104650" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_104651 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H51N3O5" ; chebi:inchi "InChI=1S/C31H51N3O5/c1-22-19-34(23(2)21-35)31(37)27-18-26(32(4)5)15-16-28(27)39-24(3)12-10-11-17-38-29(22)20-33(6)30(36)25-13-8-7-9-14-25/h15-16,18,22-25,29,35H,7-14,17,19-21H2,1-6H3/t22-,23-,24-,29-/m1/s1" ; chebi:inchikey "QUSLWNNTNFDPAB-RWJVBYDYSA-N" ; chebi:mass "545.755" ; chebi:monoisotopicmass "545.38287" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104651" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide" . obo:CHEBI_104652 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O6S" ; chebi:inchi "InChI=1S/C31H47N3O6S/c1-6-17-33(5)21-30-23(2)20-34(24(3)22-35)31(36)28-19-26(32-41(37,38)27-13-8-7-9-14-27)15-16-29(28)40-25(4)12-10-11-18-39-30/h7-9,13-16,19,23-25,30,32,35H,6,10-12,17-18,20-22H2,1-5H3/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "ZAMGSALMCFAIEX-FJRSXGRASA-N" ; chebi:mass "589.789" ; chebi:monoisotopicmass "589.31856" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104652" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_104653 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40F3N3O5" ; chebi:inchi "InChI=1S/C26H40F3N3O5/c1-17-15-32(18(2)16-33)25(35)21-13-20(31-24(34)10-11-26(27,28)29)8-9-22(21)37-19(3)7-5-6-12-36-23(17)14-30-4/h8-9,13,17-19,23,30,33H,5-7,10-12,14-16H2,1-4H3,(H,31,34)/t17-,18-,19+,23-/m0/s1" ; chebi:inchikey "QBUCHBBMZJBUJI-XWQURZDVSA-N" ; chebi:mass "531.609" ; chebi:monoisotopicmass "531.29201" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104653" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104654 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H46F3N3O5" ; chebi:inchi "InChI=1S/C29H46F3N3O5/c1-6-14-34(5)18-26-20(2)17-35(21(3)19-36)28(38)24-16-23(33-27(37)12-13-29(30,31)32)10-11-25(24)40-22(4)9-7-8-15-39-26/h10-11,16,20-22,26,36H,6-9,12-15,17-19H2,1-5H3,(H,33,37)/t20-,21+,22+,26-/m0/s1" ; chebi:inchikey "ZWQRBFIYGZIGKO-BOCITWAFSA-N" ; chebi:mass "573.689" ; chebi:monoisotopicmass "573.33896" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104654" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104655 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24-,25+,30-/m0/s1" ; chebi:inchikey "RSKGZFLSRBPJST-INVAMZEASA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104655" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_104656 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H42N4O5" ; chebi:inchi "InChI=1S/C29H42N4O5/c1-20-17-33(21(2)19-34)29(36)25-16-24(31-28(35)23-11-13-30-14-12-23)9-10-26(25)38-22(3)8-6-7-15-37-27(20)18-32(4)5/h9-14,16,20-22,27,34H,6-8,15,17-19H2,1-5H3,(H,31,35)/t20-,21-,22-,27+/m1/s1" ; chebi:inchikey "FBKKOHUHBUWDTB-RKGZYEPBSA-N" ; chebi:mass "526.669" ; chebi:monoisotopicmass "526.31552" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104656" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_104657 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H50N4O5" ; chebi:inchi "InChI=1S/C30H50N4O5/c1-21-18-34(22(2)20-35)29(36)26-17-25(32-30(37)31-24-12-7-6-8-13-24)14-15-27(26)39-23(3)11-9-10-16-38-28(21)19-33(4)5/h14-15,17,21-24,28,35H,6-13,16,18-20H2,1-5H3,(H2,31,32,37)/t21-,22+,23-,28+/m0/s1" ; chebi:inchikey "VUABGABXFJSUSX-WYNJNVBPSA-N" ; chebi:mass "546.743" ; chebi:monoisotopicmass "546.37812" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104657" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104658 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H53N5O5" ; chebi:inchi "InChI=1S/C34H53N5O5/c1-25-21-39(26(2)24-40)34(42)30-20-29(36-33(41)11-9-18-37(4)5)12-13-31(30)44-27(3)10-7-8-19-43-32(25)23-38(6)22-28-14-16-35-17-15-28/h12-17,20,25-27,32,40H,7-11,18-19,21-24H2,1-6H3,(H,36,41)/t25-,26-,27+,32-/m0/s1" ; chebi:inchikey "ZCLFEQBFHRMJFK-WASVBOSJSA-N" ; chebi:mass "611.816" ; chebi:monoisotopicmass "611.40467" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104658" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104659 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H44FN3O6S" ; chebi:inchi "InChI=1S/C30H44FN3O6S/c1-21-18-34(22(2)20-35)30(36)27-17-25(32(4)5)12-15-28(27)40-23(3)9-7-8-16-39-29(21)19-33(6)41(37,38)26-13-10-24(31)11-14-26/h10-15,17,21-23,29,35H,7-9,16,18-20H2,1-6H3/t21-,22-,23+,29+/m1/s1" ; chebi:inchikey "MEJMTXOOFVGIJM-NBOGMJGSSA-N" ; chebi:mass "593.752" ; chebi:monoisotopicmass "593.29349" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104659" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_10466 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18242 ; owl:deprecated true . obo:CHEBI_104660 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H43FN4O5" ; chebi:inchi "InChI=1S/C30H43FN4O5/c1-20-17-35(21(2)19-36)29(37)26-16-25(33-30(38)32-24-11-9-23(31)10-12-24)13-14-27(26)40-22(3)8-6-7-15-39-28(20)18-34(4)5/h9-14,16,20-22,28,36H,6-8,15,17-19H2,1-5H3,(H2,32,33,38)/t20-,21+,22+,28+/m0/s1" ; chebi:inchikey "DYIGNVBEUCFAEB-CLYWQNBRSA-N" ; chebi:mass "558.686" ; chebi:monoisotopicmass "558.32175" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104660" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea" . obo:CHEBI_104661 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H45N3O7S" ; chebi:inchi "InChI=1S/C31H45N3O7S/c1-22-19-34(23(2)21-35)31(37)27-18-26(32-42(5,38)39)14-15-28(27)41-24(3)11-9-10-16-40-29(22)20-33(4)30(36)17-25-12-7-6-8-13-25/h6-8,12-15,18,22-24,29,32,35H,9-11,16-17,19-21H2,1-5H3/t22-,23-,24+,29+/m0/s1" ; chebi:inchikey "VOOFHSDUWYITSP-PHBCIFJZSA-N" ; chebi:mass "603.772" ; chebi:monoisotopicmass "603.29782" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104661" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_104662 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47N5O6" ; chebi:inchi "InChI=1S/C30H47N5O6/c1-19-16-35(20(2)18-36)29(37)25-15-24(33(6)7)12-13-26(25)40-21(3)11-9-10-14-39-27(19)17-34(8)30(38)31-28-22(4)32-41-23(28)5/h12-13,15,19-21,27,36H,9-11,14,16-18H2,1-8H3,(H,31,38)/t19-,20+,21+,27+/m0/s1" ; chebi:inchikey "AQPDNHSQVUKPGE-ZAACQVCWSA-N" ; chebi:mass "573.725" ; chebi:monoisotopicmass "573.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=C(ON=C3C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104662" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea" . obo:CHEBI_104663 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H48N4O5" ; chebi:inchi "InChI=1S/C29H48N4O5/c1-20-18-33(21(2)19-34)28(35)25-16-24(32-29(36)31-23-11-6-5-7-12-23)13-14-26(25)38-22(3)10-8-9-15-37-27(20)17-30-4/h13-14,16,20-23,27,30,34H,5-12,15,17-19H2,1-4H3,(H2,31,32,36)/t20-,21-,22-,27-/m1/s1" ; chebi:inchikey "HLGABPGRBQKPOU-XAYSYOTPSA-N" ; chebi:mass "532.716" ; chebi:monoisotopicmass "532.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104663" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104664 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H53N5O5" ; chebi:inchi "InChI=1S/C34H53N5O5/c1-25-21-39(26(2)24-40)34(42)30-20-29(36-33(41)11-9-18-37(4)5)12-13-31(30)44-27(3)10-7-8-19-43-32(25)23-38(6)22-28-14-16-35-17-15-28/h12-17,20,25-27,32,40H,7-11,18-19,21-24H2,1-6H3,(H,36,41)/t25-,26-,27-,32-/m1/s1" ; chebi:inchikey "ZCLFEQBFHRMJFK-YDCVZUCISA-N" ; chebi:mass "611.816" ; chebi:monoisotopicmass "611.40467" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104664" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104665 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H50N4O5" ; chebi:inchi "InChI=1S/C30H50N4O5/c1-20(2)31-30(37)32-25-12-13-27-26(15-25)29(36)34(22(4)19-35)16-21(3)28(18-33(6)17-24-10-11-24)38-14-8-7-9-23(5)39-27/h12-13,15,20-24,28,35H,7-11,14,16-19H2,1-6H3,(H2,31,32,37)/t21-,22-,23-,28+/m0/s1" ; chebi:inchikey "NMRMJZSCUHLPQY-KKQCDPINSA-N" ; chebi:mass "546.743" ; chebi:monoisotopicmass "546.37812" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3CC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104665" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_104666 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H43F3N4O5" ; chebi:inchi "InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21+,22+,28-/m1/s1" ; chebi:inchikey "GMYAYTAKTSTYEI-DCRAHPAHSA-N" ; chebi:mass "608.693" ; chebi:monoisotopicmass "608.31855" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104666" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_104667 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H41N3O6S" ; chebi:inchi "InChI=1S/C28H41N3O6S/c1-20-18-31(21(2)19-32)28(33)25-16-23(30-38(34,35)24-11-6-5-7-12-24)13-14-26(25)37-22(3)10-8-9-15-36-27(20)17-29-4/h5-7,11-14,16,20-22,27,29-30,32H,8-10,15,17-19H2,1-4H3/t20-,21+,22+,27-/m1/s1" ; chebi:inchikey "JLURSCHFCUHCJF-VZUSRKGYSA-N" ; chebi:mass "547.709" ; chebi:monoisotopicmass "547.27161" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104667" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_104668 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25-,30+/m1/s1" ; chebi:inchikey "RSKGZFLSRBPJST-ZXPXOXBPSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104668" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_104669 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N3O5" ; chebi:inchi "InChI=1S/C32H47N3O5/c1-23-20-35(24(2)22-36)32(38)28-19-27(33(4)5)15-16-29(28)40-25(3)12-10-11-17-39-30(23)21-34(6)31(37)18-26-13-8-7-9-14-26/h7-9,13-16,19,23-25,30,36H,10-12,17-18,20-22H2,1-6H3/t23-,24-,25+,30-/m1/s1" ; chebi:inchikey "ZGCRSIABJPRXFC-ZASNTINBSA-N" ; chebi:mass "553.734" ; chebi:monoisotopicmass "553.35157" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104669" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_10467 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16211 ; owl:deprecated true . obo:CHEBI_104670 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H52N4O6" ; chebi:inchi "InChI=1S/C34H52N4O6/c1-23(2)35-34(41)36-28-13-16-31-30(18-28)33(40)38(25(4)22-39)19-24(3)32(43-17-9-8-10-26(5)44-31)21-37(6)20-27-11-14-29(42-7)15-12-27/h11-16,18,23-26,32,39H,8-10,17,19-22H2,1-7H3,(H2,35,36,41)/t24-,25+,26+,32-/m0/s1" ; chebi:inchikey "JCVAFPCEYZSYDX-GSDPCRBASA-N" ; chebi:mass "612.801" ; chebi:monoisotopicmass "612.38869" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104670" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_104671 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H43FN4O5" ; chebi:inchi "InChI=1S/C30H43FN4O5/c1-20-17-35(21(2)19-36)29(37)26-16-25(33-30(38)32-24-11-9-23(31)10-12-24)13-14-27(26)40-22(3)8-6-7-15-39-28(20)18-34(4)5/h9-14,16,20-22,28,36H,6-8,15,17-19H2,1-5H3,(H2,32,33,38)/t20-,21+,22+,28+/m1/s1" ; chebi:inchikey "DYIGNVBEUCFAEB-VYZXROPESA-N" ; chebi:mass "558.686" ; chebi:monoisotopicmass "558.32175" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104671" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea" . obo:CHEBI_104672 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H45N3O8S" ; chebi:inchi "InChI=1S/C31H45N3O8S/c1-21-16-34(22(2)19-35)31(36)26-15-25(32-43(5,37)38)10-12-27(26)42-23(3)8-6-7-13-39-30(21)18-33(4)17-24-9-11-28-29(14-24)41-20-40-28/h9-12,14-15,21-23,30,32,35H,6-8,13,16-20H2,1-5H3/t21-,22-,23-,30-/m1/s1" ; chebi:inchikey "KQLDLPDWVHVVHP-YYFZOHQYSA-N" ; chebi:mass "619.772" ; chebi:monoisotopicmass "619.29274" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104672" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_104673 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H50N4O6" ; chebi:inchi "InChI=1S/C35H50N4O6/c1-24-21-39(25(2)23-40)35(43)30-20-29(37-33(41)27-15-17-36-18-16-27)13-14-31(30)45-26(3)10-8-9-19-44-32(24)22-38(4)34(42)28-11-6-5-7-12-28/h13-18,20,24-26,28,32,40H,5-12,19,21-23H2,1-4H3,(H,37,41)/t24-,25-,26-,32-/m1/s1" ; chebi:inchikey "LKIIRWUIYHEPDR-WRZBRUQPSA-N" ; chebi:mass "622.796" ; chebi:monoisotopicmass "622.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)C4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104673" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[[[cyclohexyl(oxo)methyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_104674 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H52N4O6" ; chebi:inchi "InChI=1S/C35H52N4O6/c1-25-22-39(26(2)24-40)35(43)30-21-29(36-34(42)28-14-8-7-9-15-28)17-18-31(30)45-27(3)13-10-11-20-44-32(25)23-38(6)33(41)16-12-19-37(4)5/h7-9,14-15,17-18,21,25-27,32,40H,10-13,16,19-20,22-24H2,1-6H3,(H,36,42)/t25-,26-,27+,32-/m1/s1" ; chebi:inchikey "ZMTJRORPEDZKCY-BESNRVDSSA-N" ; chebi:mass "624.812" ; chebi:monoisotopicmass "624.38869" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104674" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_104675 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H43N3O6S" ; chebi:inchi "InChI=1S/C25H43N3O6S/c1-18-15-28(19(2)17-29)25(30)22-14-21(26(4)5)11-12-23(22)34-20(3)10-8-9-13-33-24(18)16-27(6)35(7,31)32/h11-12,14,18-20,24,29H,8-10,13,15-17H2,1-7H3/t18-,19+,20+,24-/m1/s1" ; chebi:inchikey "ORDOAKKGIRZCMJ-KCOOYEKVSA-N" ; chebi:mass "513.692" ; chebi:monoisotopicmass "513.28726" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104675" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylmethanesulfonamide" . obo:CHEBI_104676 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N3O5" ; chebi:inchi "InChI=1S/C33H49N3O5/c1-6-17-35(5)22-31-24(2)21-36(25(3)23-37)33(39)29-20-28(34-32(38)19-27-13-8-7-9-14-27)15-16-30(29)41-26(4)12-10-11-18-40-31/h7-9,13-16,20,24-26,31,37H,6,10-12,17-19,21-23H2,1-5H3,(H,34,38)/t24-,25+,26+,31-/m1/s1" ; chebi:inchikey "HWWNGGYYBIBPCQ-SQRAXXTESA-N" ; chebi:mass "567.761" ; chebi:monoisotopicmass "567.36722" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104676" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_104677 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H48N4O6" ; chebi:inchi "InChI=1S/C32H48N4O6/c1-22-19-36(23(2)21-37)31(38)28-18-26(34(4)5)13-16-29(28)42-24(3)10-8-9-17-41-30(22)20-35(6)32(39)33-25-11-14-27(40-7)15-12-25/h11-16,18,22-24,30,37H,8-10,17,19-21H2,1-7H3,(H,33,39)/t22-,23+,24+,30-/m0/s1" ; chebi:inchikey "IYJPIDGCXVWPNR-YTNVWYNJSA-N" ; chebi:mass "584.748" ; chebi:monoisotopicmass "584.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104677" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea" . obo:CHEBI_104678 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O5" ; chebi:inchi "InChI=1S/C32H49N3O5/c1-23-19-35(24(2)22-36)32(37)29-18-27(33(4)5)13-16-30(29)40-25(3)10-8-9-17-39-31(23)21-34(6)20-26-11-14-28(38-7)15-12-26/h11-16,18,23-25,31,36H,8-10,17,19-22H2,1-7H3/t23-,24+,25-,31-/m0/s1" ; chebi:inchikey "HLAXWBUNQRUQJP-PBANKSGMSA-N" ; chebi:mass "555.750" ; chebi:monoisotopicmass "555.36722" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104678" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_104679 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)35-27-15-16-29-28(18-27)32(40)37(24(4)21-38)19-23(3)30(42-17-11-10-12-25(5)43-29)20-36(6)31(39)26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H2,34,35,41)/t23-,24+,25-,30+/m1/s1" ; chebi:inchikey "DXYWKCBATINIRK-ZXPXOXBPSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104679" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide" . obo:CHEBI_10468 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27803 ; owl:deprecated true . obo:CHEBI_104680 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O7S" ; chebi:inchi "InChI=1S/C29H50N4O7S/c1-21-18-33(22(2)20-34)29(36)25-17-24(30-41(7,37)38)13-14-26(25)40-23(3)11-8-9-16-39-27(21)19-32(6)28(35)12-10-15-31(4)5/h13-14,17,21-23,27,30,34H,8-12,15-16,18-20H2,1-7H3/t21-,22+,23+,27-/m0/s1" ; chebi:inchikey "MTZUJVYQNWSRMQ-MTPWMDRRSA-N" ; chebi:mass "598.797" ; chebi:monoisotopicmass "598.34002" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104680" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_104681 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H50N4O5" ; chebi:inchi "InChI=1S/C30H50N4O5/c1-21-18-34(22(2)20-35)29(36)26-17-25(32-30(37)31-24-12-7-6-8-13-24)14-15-27(26)39-23(3)11-9-10-16-38-28(21)19-33(4)5/h14-15,17,21-24,28,35H,6-13,16,18-20H2,1-5H3,(H2,31,32,37)/t21-,22+,23+,28+/m1/s1" ; chebi:inchikey "VUABGABXFJSUSX-FZVPRWPTSA-N" ; chebi:mass "546.743" ; chebi:monoisotopicmass "546.37812" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104681" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104682 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H43N3O7S" ; chebi:inchi "InChI=1S/C30H43N3O7S/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-41(5,37)38)14-15-27(26)40-23(3)11-9-10-16-39-28(21)19-32(4)29(35)24-12-7-6-8-13-24/h6-8,12-15,17,21-23,28,31,34H,9-11,16,18-20H2,1-5H3/t21-,22+,23-,28-/m0/s1" ; chebi:inchikey "SCSZUZCJLHTTSJ-KYALDGGBSA-N" ; chebi:mass "589.746" ; chebi:monoisotopicmass "589.28217" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104682" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide" . obo:CHEBI_104683 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H47N5O6S" ; chebi:inchi "InChI=1S/C29H47N5O6S/c1-7-13-32(5)17-27-21(2)16-34(22(3)19-35)29(36)25-15-24(31-41(37,38)28-18-33(6)20-30-28)11-12-26(25)40-23(4)10-8-9-14-39-27/h11-12,15,18,20-23,27,31,35H,7-10,13-14,16-17,19H2,1-6H3/t21-,22+,23-,27-/m1/s1" ; chebi:inchikey "IKHNOPCXKIAMPI-QSGNWFJVSA-N" ; chebi:mass "593.781" ; chebi:monoisotopicmass "593.32471" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104683" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_104684 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N3O5" ; chebi:inchi "InChI=1S/C32H47N3O5/c1-6-17-34(5)21-30-23(2)20-35(24(3)22-36)32(38)28-19-27(33-31(37)26-13-8-7-9-14-26)15-16-29(28)40-25(4)12-10-11-18-39-30/h7-9,13-16,19,23-25,30,36H,6,10-12,17-18,20-22H2,1-5H3,(H,33,37)/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "DPWBPPWCHVQSHF-RZDWVWPCSA-N" ; chebi:mass "553.734" ; chebi:monoisotopicmass "553.35157" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104684" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_104685 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H45N3O5" ; chebi:inchi "InChI=1S/C31H45N3O5/c1-22-19-34(23(2)21-35)31(37)27-18-26(32(4)5)15-16-28(27)39-24(3)12-10-11-17-38-29(22)20-33(6)30(36)25-13-8-7-9-14-25/h7-9,13-16,18,22-24,29,35H,10-12,17,19-21H2,1-6H3/t22-,23+,24-,29-/m0/s1" ; chebi:inchikey "IMDGVULVCKQBDZ-MVPDCNEZSA-N" ; chebi:mass "539.707" ; chebi:monoisotopicmass "539.33592" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104685" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide" . obo:CHEBI_104686 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H48N4O5" ; chebi:inchi "InChI=1S/C29H48N4O5/c1-20-18-33(21(2)19-34)28(35)25-16-24(32-29(36)31-23-11-6-5-7-12-23)13-14-26(25)38-22(3)10-8-9-15-37-27(20)17-30-4/h13-14,16,20-23,27,30,34H,5-12,15,17-19H2,1-4H3,(H2,31,32,36)/t20-,21-,22-,27+/m1/s1" ; chebi:inchikey "HLGABPGRBQKPOU-RKGZYEPBSA-N" ; chebi:mass "532.716" ; chebi:monoisotopicmass "532.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104686" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104687 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O6S" ; chebi:inchi "InChI=1S/C31H47N3O6S/c1-6-17-33(5)21-30-23(2)20-34(24(3)22-35)31(36)28-19-26(32-41(37,38)27-13-8-7-9-14-27)15-16-29(28)40-25(4)12-10-11-18-39-30/h7-9,13-16,19,23-25,30,32,35H,6,10-12,17-18,20-22H2,1-5H3/t23-,24-,25-,30+/m0/s1" ; chebi:inchikey "ZAMGSALMCFAIEX-DNHJLFCISA-N" ; chebi:mass "589.789" ; chebi:monoisotopicmass "589.31856" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104687" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_104688 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O7S" ; chebi:inchi "InChI=1S/C31H47N3O7S/c1-22-19-34(23(2)21-35)31(36)28-18-25(32(4)5)11-16-29(28)41-24(3)10-8-9-17-40-30(22)20-33(6)42(37,38)27-14-12-26(39-7)13-15-27/h11-16,18,22-24,30,35H,8-10,17,19-21H2,1-7H3/t22-,23+,24+,30+/m1/s1" ; chebi:inchikey "OKIGVZMNGZVCJM-QAAVFVPKSA-N" ; chebi:mass "605.788" ; chebi:monoisotopicmass "605.31347" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104688" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide" . obo:CHEBI_104689 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O5" ; chebi:inchi "InChI=1S/C32H46N4O5/c1-22-18-36(23(2)21-37)32(39)28-17-27(34-31(38)26-12-14-33-15-13-26)10-11-29(28)41-24(3)7-5-6-16-40-30(22)20-35(4)19-25-8-9-25/h10-15,17,22-25,30,37H,5-9,16,18-21H2,1-4H3,(H,34,38)/t22-,23+,24-,30-/m1/s1" ; chebi:inchikey "YDCDOYMHDVYTIM-UTSVKBTJSA-N" ; chebi:mass "566.733" ; chebi:monoisotopicmass "566.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104689" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_10469 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28873 ; owl:deprecated true . obo:CHEBI_104690 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H52N4O5" ; chebi:inchi "InChI=1S/C31H52N4O5/c1-22-19-35(23(2)21-36)30(37)27-18-26(33(4)5)15-16-28(27)40-24(3)12-10-11-17-39-29(22)20-34(6)31(38)32-25-13-8-7-9-14-25/h15-16,18,22-25,29,36H,7-14,17,19-21H2,1-6H3,(H,32,38)/t22-,23-,24+,29+/m0/s1" ; chebi:inchikey "YZLWJGCKUGDXHR-PHBCIFJZSA-N" ; chebi:mass "560.770" ; chebi:monoisotopicmass "560.39377" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104690" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_104691 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H43N3O5" ; chebi:inchi "InChI=1S/C30H43N3O5/c1-21-19-33(22(2)20-34)30(36)26-17-25(32-29(35)16-24-11-6-5-7-12-24)13-14-27(26)38-23(3)10-8-9-15-37-28(21)18-31-4/h5-7,11-14,17,21-23,28,31,34H,8-10,15-16,18-20H2,1-4H3,(H,32,35)/t21-,22+,23+,28-/m0/s1" ; chebi:inchikey "GZRWXBHQPNTACC-FPZRTEDSSA-N" ; chebi:mass "525.681" ; chebi:monoisotopicmass "525.32027" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104691" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_104692 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H52N4O6" ; chebi:inchi "InChI=1S/C35H52N4O6/c1-25-22-39(26(2)24-40)35(43)30-21-29(36-34(42)28-14-8-7-9-15-28)17-18-31(30)45-27(3)13-10-11-20-44-32(25)23-38(6)33(41)16-12-19-37(4)5/h7-9,14-15,17-18,21,25-27,32,40H,10-13,16,19-20,22-24H2,1-6H3,(H,36,42)/t25-,26-,27-,32-/m1/s1" ; chebi:inchikey "ZMTJRORPEDZKCY-YDCVZUCISA-N" ; chebi:mass "624.812" ; chebi:monoisotopicmass "624.38869" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104692" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_104693 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H41N3O6S" ; chebi:inchi "InChI=1S/C24H41N3O6S/c1-17-14-27(18(2)16-28)24(29)21-13-20(25-34(6,30)31)10-11-22(21)33-19(3)9-7-8-12-32-23(17)15-26(4)5/h10-11,13,17-19,23,25,28H,7-9,12,14-16H2,1-6H3/t17-,18+,19+,23+/m0/s1" ; chebi:inchikey "HNAHSZOZZNPVNF-RTXPOLOASA-N" ; chebi:mass "499.666" ; chebi:monoisotopicmass "499.27161" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104693" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_104694 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H46N4O7S" ; chebi:inchi "InChI=1S/C29H46N4O7S/c1-19-16-33(20(2)18-34)29(35)25-15-24(31(6)7)12-13-26(25)39-21(3)11-9-10-14-38-27(19)17-32(8)41(36,37)28-22(4)30-40-23(28)5/h12-13,15,19-21,27,34H,9-11,14,16-18H2,1-8H3/t19-,20-,21-,27+/m1/s1" ; chebi:inchikey "PQVSIMSGGSSCRI-CVWKGPCHSA-N" ; chebi:mass "594.765" ; chebi:monoisotopicmass "594.30872" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=C(ON=C3C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104694" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide" . obo:CHEBI_104695 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40FN3O6S" ; chebi:inchi "InChI=1S/C28H40FN3O6S/c1-19-17-32(20(2)18-33)28(34)25-15-23(31-39(35,36)24-11-8-22(29)9-12-24)10-13-26(25)38-21(3)7-5-6-14-37-27(19)16-30-4/h8-13,15,19-21,27,30-31,33H,5-7,14,16-18H2,1-4H3/t19-,20-,21-,27+/m0/s1" ; chebi:inchikey "OPIQAKQROYPQNZ-MSZUUUALSA-N" ; chebi:mass "565.699" ; chebi:monoisotopicmass "565.26219" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104695" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_104696 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H43N3O6S" ; chebi:inchi "InChI=1S/C29H43N3O6S/c1-20-9-12-25(13-10-20)39(35,36)31-24-11-14-27-26(16-24)29(34)32(22(3)19-33)18-21(2)28(17-30-5)37-15-7-6-8-23(4)38-27/h9-14,16,21-23,28,30-31,33H,6-8,15,17-19H2,1-5H3/t21-,22+,23-,28+/m1/s1" ; chebi:inchikey "SKZBTEBCBLPBIZ-KRHPZPPWSA-N" ; chebi:mass "561.735" ; chebi:monoisotopicmass "561.28726" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104696" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_104697 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H52N4O5" ; chebi:inchi "InChI=1S/C35H52N4O5/c1-25-21-39(26(2)24-40)35(42)31-20-30(37-34(41)29-11-6-5-7-12-29)13-14-32(31)44-27(3)10-8-9-19-43-33(25)23-38(4)22-28-15-17-36-18-16-28/h13-18,20,25-27,29,33,40H,5-12,19,21-24H2,1-4H3,(H,37,41)/t25-,26-,27-,33+/m1/s1" ; chebi:inchikey "FHYFYPZRCDKSKV-CDNUTCOBSA-N" ; chebi:mass "608.813" ; chebi:monoisotopicmass "608.39377" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104697" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_104698 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H41FN4O5" ; chebi:inchi "InChI=1S/C29H41FN4O5/c1-19-17-34(20(2)18-35)28(36)25-15-24(33-29(37)32-23-10-8-22(30)9-11-23)12-13-26(25)39-21(3)7-5-6-14-38-27(19)16-31-4/h8-13,15,19-21,27,31,35H,5-7,14,16-18H2,1-4H3,(H2,32,33,37)/t19-,20-,21+,27+/m1/s1" ; chebi:inchikey "QNMRQELCDYNENZ-MEFYPOPPSA-N" ; chebi:mass "544.659" ; chebi:monoisotopicmass "544.30610" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104698" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-fluorophenyl)-3-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104699 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H43N3O7S" ; chebi:inchi "InChI=1S/C30H43N3O7S/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-41(5,37)38)14-15-27(26)40-23(3)11-9-10-16-39-28(21)19-32(4)29(35)24-12-7-6-8-13-24/h6-8,12-15,17,21-23,28,31,34H,9-11,16,18-20H2,1-5H3/t21-,22+,23+,28+/m0/s1" ; chebi:inchikey "SCSZUZCJLHTTSJ-TUEWKVEFSA-N" ; chebi:mass "589.746" ; chebi:monoisotopicmass "589.28217" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104699" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide" . obo:CHEBI_1047 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18125 ; owl:deprecated true . obo:CHEBI_10470 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17343 ; owl:deprecated true . obo:CHEBI_104700 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O5" ; chebi:inchi "InChI=1S/C28H40N4O5/c1-19-17-32(20(2)18-33)28(35)24-15-23(31-27(34)22-10-12-30-13-11-22)8-9-25(24)37-21(3)7-5-6-14-36-26(19)16-29-4/h8-13,15,19-21,26,29,33H,5-7,14,16-18H2,1-4H3,(H,31,34)/t19-,20+,21+,26+/m0/s1" ; chebi:inchikey "UGHRLCJQQBYBPV-GQNXPXPTSA-N" ; chebi:mass "512.642" ; chebi:monoisotopicmass "512.29987" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104700" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_104701 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H45N5O6S" ; chebi:inchi "InChI=1S/C28H45N5O6S/c1-20-15-33(21(2)18-34)28(35)24-14-23(30(4)5)11-12-25(24)39-22(3)10-8-9-13-38-26(20)16-32(7)40(36,37)27-17-31(6)19-29-27/h11-12,14,17,19-22,26,34H,8-10,13,15-16,18H2,1-7H3/t20-,21-,22+,26+/m1/s1" ; chebi:inchikey "UJYZNBPSVBHVBP-CQAGSAPUSA-N" ; chebi:mass "579.754" ; chebi:monoisotopicmass "579.30906" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CN(C=N3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104701" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide" . obo:CHEBI_104702 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N3O6S" ; chebi:inchi "InChI=1S/C30H51N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h14-15,17,22-25,29,31,34H,6-13,16,18-21H2,1-5H3/t22-,23+,24-,29-/m1/s1" ; chebi:inchikey "MOSVBDAIGOGSPE-CDLOMYRSSA-N" ; chebi:mass "581.810" ; chebi:monoisotopicmass "581.34986" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104702" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_104703 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H47N3O4" ; chebi:inchi "InChI=1S/C27H47N3O4/c1-8-14-29(7)18-26-20(2)17-30(21(3)19-31)27(32)24-16-23(28(5)6)12-13-25(24)34-22(4)11-9-10-15-33-26/h12-13,16,20-22,26,31H,8-11,14-15,17-19H2,1-7H3/t20-,21-,22-,26-/m1/s1" ; chebi:inchikey "KFCLPYACNRFGCM-PIXQIBFHSA-N" ; chebi:mass "477.681" ; chebi:monoisotopicmass "477.35666" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104703" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_104704 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H45N3O7S" ; chebi:inchi "InChI=1S/C31H45N3O7S/c1-22-19-34(23(2)21-35)31(37)27-18-26(32-42(5,38)39)14-15-28(27)41-24(3)11-9-10-16-40-29(22)20-33(4)30(36)17-25-12-7-6-8-13-25/h6-8,12-15,18,22-24,29,32,35H,9-11,16-17,19-21H2,1-5H3/t22-,23-,24+,29-/m0/s1" ; chebi:inchikey "VOOFHSDUWYITSP-OODISRMCSA-N" ; chebi:mass "603.772" ; chebi:monoisotopicmass "603.29782" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104704" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_104705 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H42N4O5" ; chebi:inchi "InChI=1S/C29H42N4O5/c1-20-18-33(21(2)19-34)28(35)25-16-24(32-29(36)31-23-11-6-5-7-12-23)13-14-26(25)38-22(3)10-8-9-15-37-27(20)17-30-4/h5-7,11-14,16,20-22,27,30,34H,8-10,15,17-19H2,1-4H3,(H2,31,32,36)/t20-,21-,22+,27+/m0/s1" ; chebi:inchikey "HNFJEPMYRFFBAZ-HCUOBIAZSA-N" ; chebi:mass "526.669" ; chebi:monoisotopicmass "526.31552" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104705" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_104706 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O7" ; chebi:inchi "InChI=1S/C32H46N4O7/c1-21-17-36(22(2)19-37)31(38)26-16-25(34(4)5)11-13-27(26)43-23(3)9-7-8-14-40-30(21)18-35(6)32(39)33-24-10-12-28-29(15-24)42-20-41-28/h10-13,15-16,21-23,30,37H,7-9,14,17-20H2,1-6H3,(H,33,39)/t21-,22-,23-,30-/m1/s1" ; chebi:inchikey "SIEZSLVXLUPDNY-YYFZOHQYSA-N" ; chebi:mass "598.731" ; chebi:monoisotopicmass "598.33665" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104706" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(1,3-benzodioxol-5-yl)-1-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_104707 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H41N3O5" ; chebi:inchi "InChI=1S/C29H41N3O5/c1-20-18-32(21(2)19-33)29(35)25-16-24(31-28(34)23-11-6-5-7-12-23)13-14-26(25)37-22(3)10-8-9-15-36-27(20)17-30-4/h5-7,11-14,16,20-22,27,30,33H,8-10,15,17-19H2,1-4H3,(H,31,34)/t20-,21-,22+,27+/m1/s1" ; chebi:inchikey "AOLQWFIMADKXQA-YHZQYDDPSA-N" ; chebi:mass "511.654" ; chebi:monoisotopicmass "511.30462" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104707" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_104708 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H50N4O6" ; chebi:inchi "InChI=1S/C35H50N4O6/c1-24-21-39(25(2)23-40)35(43)30-20-29(37-33(41)27-15-17-36-18-16-27)13-14-31(30)45-26(3)10-8-9-19-44-32(24)22-38(4)34(42)28-11-6-5-7-12-28/h13-18,20,24-26,28,32,40H,5-12,19,21-23H2,1-4H3,(H,37,41)/t24-,25+,26+,32+/m1/s1" ; chebi:inchikey "LKIIRWUIYHEPDR-UJFVLINRSA-N" ; chebi:mass "622.796" ; chebi:monoisotopicmass "622.37304" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104708" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[[[cyclohexyl(oxo)methyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_104709 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H41N3O4" ; chebi:inchi "InChI=1S/C24H41N3O4/c1-17-15-27(18(2)16-28)24(29)21-13-20(26(5)6)10-11-22(21)31-19(3)9-7-8-12-30-23(17)14-25-4/h10-11,13,17-19,23,25,28H,7-9,12,14-16H2,1-6H3/t17-,18+,19+,23+/m0/s1" ; chebi:inchikey "AHFPIWRBAUHSCU-RTXPOLOASA-N" ; chebi:mass "435.601" ; chebi:monoisotopicmass "435.30971" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104709" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_10471 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33822 ; chebi:charge "0" ; chebi:formula "C9H12O4" ; chebi:inchi "InChI=1S/C9H12O4/c1-5(9(12)13)6-3-2-4-7(10)8(6)11/h2-5,7-8,10-11H,1H3,(H,12,13)/t5?,7-,8+/m0/s1" ; chebi:inchikey "VVVNXNZZTJUXDV-AKHXFSBVSA-N" ; chebi:mass "184.190" ; chebi:monoisotopicmass "184.07356" ; chebi:smiles "CC(C(O)=O)C1=CC=C[C@H](O)[C@@H]1O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10471" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol" . obo:CHEBI_104710 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H41FN4O5" ; chebi:inchi "InChI=1S/C29H41FN4O5/c1-19-17-34(20(2)18-35)28(36)25-15-24(33-29(37)32-23-10-8-22(30)9-11-23)12-13-26(25)39-21(3)7-5-6-14-38-27(19)16-31-4/h8-13,15,19-21,27,31,35H,5-7,14,16-18H2,1-4H3,(H2,32,33,37)/t19-,20+,21+,27+/m1/s1" ; chebi:inchikey "QNMRQELCDYNENZ-GMAGDTKFSA-N" ; chebi:mass "544.659" ; chebi:monoisotopicmass "544.30610" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104710" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-fluorophenyl)-3-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104711 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40F3N3O5" ; chebi:inchi "InChI=1S/C26H40F3N3O5/c1-17-15-32(18(2)16-33)25(35)21-13-20(31-24(34)10-11-26(27,28)29)8-9-22(21)37-19(3)7-5-6-12-36-23(17)14-30-4/h8-9,13,17-19,23,30,33H,5-7,10-12,14-16H2,1-4H3,(H,31,34)/t17-,18+,19+,23+/m0/s1" ; chebi:inchikey "QBUCHBBMZJBUJI-RTXPOLOASA-N" ; chebi:mass "531.609" ; chebi:monoisotopicmass "531.29201" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104711" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104712 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H44FN3O6S" ; chebi:inchi "InChI=1S/C30H44FN3O6S/c1-21-18-34(22(2)20-35)30(36)27-17-25(32(4)5)12-15-28(27)40-23(3)9-7-8-16-39-29(21)19-33(6)41(37,38)26-13-10-24(31)11-14-26/h10-15,17,21-23,29,35H,7-9,16,18-20H2,1-6H3/t21-,22+,23+,29+/m1/s1" ; chebi:inchikey "MEJMTXOOFVGIJM-NXRFZHLESA-N" ; chebi:mass "593.752" ; chebi:monoisotopicmass "593.29349" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104712" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_104713 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H48N4O5" ; chebi:inchi "InChI=1S/C36H48N4O5/c1-26-22-40(27(2)25-41)36(43)32-21-31(38-35(42)20-29-11-6-5-7-12-29)13-14-33(32)45-28(3)10-8-9-19-44-34(26)24-39(4)23-30-15-17-37-18-16-30/h5-7,11-18,21,26-28,34,41H,8-10,19-20,22-25H2,1-4H3,(H,38,42)/t26-,27+,28+,34+/m0/s1" ; chebi:inchikey "NYAGJJIVOVZRJD-MRHQGJBWSA-N" ; chebi:mass "616.791" ; chebi:monoisotopicmass "616.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104713" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_104714 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H53N5O5" ; chebi:inchi "InChI=1S/C35H53N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h13-18,20,25-27,29,33,41H,5-12,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27-,33-/m0/s1" ; chebi:inchikey "NGSMHOKAGHIENU-KIAQLKRMSA-N" ; chebi:mass "623.827" ; chebi:monoisotopicmass "623.40467" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104714" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104715 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H45N3O5" ; chebi:inchi "InChI=1S/C31H45N3O5/c1-22-19-34(23(2)21-35)31(37)27-18-26(32(4)5)15-16-28(27)39-24(3)12-10-11-17-38-29(22)20-33(6)30(36)25-13-8-7-9-14-25/h7-9,13-16,18,22-24,29,35H,10-12,17,19-21H2,1-6H3/t22-,23-,24-,29+/m0/s1" ; chebi:inchikey "IMDGVULVCKQBDZ-HGPRPZRGSA-N" ; chebi:mass "539.707" ; chebi:monoisotopicmass "539.33592" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104715" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide" . obo:CHEBI_104716 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H43F3N4O5" ; chebi:inchi "InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21+,22-,28-/m0/s1" ; chebi:inchikey "GMYAYTAKTSTYEI-QBMQIYCRSA-N" ; chebi:mass "608.693" ; chebi:monoisotopicmass "608.31855" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104716" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_104717 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H44FN3O6S" ; chebi:inchi "InChI=1S/C30H44FN3O6S/c1-21-18-34(22(2)20-35)30(36)27-17-25(32(4)5)12-15-28(27)40-23(3)9-7-8-16-39-29(21)19-33(6)41(37,38)26-13-10-24(31)11-14-26/h10-15,17,21-23,29,35H,7-9,16,18-20H2,1-6H3/t21-,22-,23-,29-/m1/s1" ; chebi:inchikey "MEJMTXOOFVGIJM-PZNASWHRSA-N" ; chebi:mass "593.752" ; chebi:monoisotopicmass "593.29349" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104717" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_104718 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N3O6S" ; chebi:inchi "InChI=1S/C33H49N3O6S/c1-23-9-14-29(15-10-23)43(39,40)34-28-13-16-31-30(18-28)33(38)36(25(3)22-37)19-24(2)32(21-35(5)20-27-11-12-27)41-17-7-6-8-26(4)42-31/h9-10,13-16,18,24-27,32,34,37H,6-8,11-12,17,19-22H2,1-5H3/t24-,25+,26+,32+/m1/s1" ; chebi:inchikey "IJPCFLZWEMVLEC-UJFVLINRSA-N" ; chebi:mass "615.826" ; chebi:monoisotopicmass "615.33421" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@@H](C)CO)C)CN(C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104718" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_104719 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H43N3O7S" ; chebi:inchi "InChI=1S/C30H43N3O7S/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-29(35)24-12-7-6-8-13-24)14-15-27(26)40-23(3)11-9-10-16-39-28(21)19-32(4)41(5,37)38/h6-8,12-15,17,21-23,28,34H,9-11,16,18-20H2,1-5H3,(H,31,35)/t21-,22-,23+,28-/m1/s1" ; chebi:inchikey "XHZKQAVNDGMQPU-SQVYLTPJSA-N" ; chebi:mass "589.746" ; chebi:monoisotopicmass "589.28217" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)S(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104719" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_10472 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48691 . _:b324 rdf:type owl:Restriction . obo:CHEBI_10472 rdfs:subClassOf _:b324 . _:b324 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_60089 . _:b325 rdf:type owl:Restriction . obo:CHEBI_10472 rdfs:subClassOf _:b325 . _:b325 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_48690 . obo:CHEBI_10472 chebi:charge "0" ; chebi:formula "C9H12O4" ; chebi:inchi "InChI=1S/C9H12O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,7,9-10,13H,4-5H2,(H,11,12)/t7-,9+/m0/s1" ; chebi:inchikey "RKDFGWAXBBGKMR-IONNQARKSA-N" ; chebi:mass "184.18918" ; chebi:monoisotopicmass "184.07356" ; chebi:smiles "O[C@H]1C=CC=C(CCC(O)=O)[C@H]1O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10472" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid" . obo:CHEBI_104720 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O7S" ; chebi:inchi "InChI=1S/C31H47N3O7S/c1-22-18-34(23(2)21-35)31(36)28-17-26(32-42(6,37)38)12-15-29(28)41-24(3)9-7-8-16-40-30(22)20-33(4)19-25-10-13-27(39-5)14-11-25/h10-15,17,22-24,30,32,35H,7-9,16,18-21H2,1-6H3/t22-,23+,24+,30+/m0/s1" ; chebi:inchikey "XIVCQDXGZVVHDO-QXFFIUSXSA-N" ; chebi:mass "605.788" ; chebi:monoisotopicmass "605.31347" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104720" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_104721 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H46N4O7S" ; chebi:inchi "InChI=1S/C29H46N4O7S/c1-19-16-33(20(2)18-34)29(35)25-15-24(31(6)7)12-13-26(25)39-21(3)11-9-10-14-38-27(19)17-32(8)41(36,37)28-22(4)30-40-23(28)5/h12-13,15,19-21,27,34H,9-11,14,16-18H2,1-8H3/t19-,20+,21-,27+/m0/s1" ; chebi:inchikey "PQVSIMSGGSSCRI-ZZWZOVRCSA-N" ; chebi:mass "594.765" ; chebi:monoisotopicmass "594.30872" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=C(ON=C3C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104721" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide" . obo:CHEBI_104722 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H50N4O5" ; chebi:inchi "InChI=1S/C33H50N4O5/c1-23(2)34-33(40)35-28-15-16-30-29(18-28)32(39)37(25(4)22-38)19-24(3)31(41-17-11-10-12-26(5)42-30)21-36(6)20-27-13-8-7-9-14-27/h7-9,13-16,18,23-26,31,38H,10-12,17,19-22H2,1-6H3,(H2,34,35,40)/t24-,25-,26-,31-/m0/s1" ; chebi:inchikey "SIHQACFNVCTPOW-VIYORZMQSA-N" ; chebi:mass "582.775" ; chebi:monoisotopicmass "582.37812" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104722" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_104723 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H43N3O6S2" ; chebi:inchi "InChI=1S/C28H43N3O6S2/c1-20-17-31(21(2)19-32)28(33)24-16-23(29(4)5)12-13-25(24)37-22(3)10-7-8-14-36-26(20)18-30(6)39(34,35)27-11-9-15-38-27/h9,11-13,15-16,20-22,26,32H,7-8,10,14,17-19H2,1-6H3/t20-,21-,22-,26+/m0/s1" ; chebi:inchikey "ANVCKVJMNHXGBG-OYSWMMLKSA-N" ; chebi:mass "581.791" ; chebi:monoisotopicmass "581.25933" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CS3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104723" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-thiophenesulfonamide" . obo:CHEBI_104724 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H45F3N4O5" ; chebi:inchi "InChI=1S/C32H45F3N4O5/c1-22-18-39(23(2)21-40)31(42)27-17-26(37-30(41)10-13-32(33,34)35)8-9-28(27)44-24(3)7-5-6-16-43-29(22)20-38(4)19-25-11-14-36-15-12-25/h8-9,11-12,14-15,17,22-24,29,40H,5-7,10,13,16,18-21H2,1-4H3,(H,37,41)/t22-,23-,24+,29+/m0/s1" ; chebi:inchikey "CWMFJYTZROJEEY-PHBCIFJZSA-N" ; chebi:mass "622.720" ; chebi:monoisotopicmass "622.33421" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104724" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104725 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H53N5O5" ; chebi:inchi "InChI=1S/C35H53N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h13-18,20,25-27,29,33,41H,5-12,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27+,33-/m0/s1" ; chebi:inchikey "NGSMHOKAGHIENU-QTLXSIBASA-N" ; chebi:mass "623.827" ; chebi:monoisotopicmass "623.40467" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104725" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104726 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H43N3O6S" ; chebi:inchi "InChI=1S/C29H43N3O6S/c1-20-9-12-25(13-10-20)39(35,36)31-24-11-14-27-26(16-24)29(34)32(22(3)19-33)18-21(2)28(17-30-5)37-15-7-6-8-23(4)38-27/h9-14,16,21-23,28,30-31,33H,6-8,15,17-19H2,1-5H3/t21-,22-,23+,28+/m0/s1" ; chebi:inchikey "SKZBTEBCBLPBIZ-HIAVRWOZSA-N" ; chebi:mass "561.735" ; chebi:monoisotopicmass "561.28726" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104726" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_104727 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O6S" ; chebi:inchi "InChI=1S/C31H47N3O6S/c1-22-11-14-27(15-12-22)41(37,38)33(7)20-30-23(2)19-34(24(3)21-35)31(36)28-18-26(32(5)6)13-16-29(28)40-25(4)10-8-9-17-39-30/h11-16,18,23-25,30,35H,8-10,17,19-21H2,1-7H3/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "HYZLHQOJAWWHRH-FJRSXGRASA-N" ; chebi:mass "589.789" ; chebi:monoisotopicmass "589.31856" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104727" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_104728 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H43N3O6S" ; chebi:inchi "InChI=1S/C29H43N3O6S/c1-21-18-32(22(2)20-33)29(34)26-17-24(30-39(35,36)25-12-7-6-8-13-25)14-15-27(26)38-23(3)11-9-10-16-37-28(21)19-31(4)5/h6-8,12-15,17,21-23,28,30,33H,9-11,16,18-20H2,1-5H3/t21-,22-,23+,28-/m1/s1" ; chebi:inchikey "DKJIIKWCTXJSNY-SQVYLTPJSA-N" ; chebi:mass "561.735" ; chebi:monoisotopicmass "561.28726" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104728" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_104729 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O5" ; chebi:inchi "InChI=1S/C28H40N4O5/c1-19-17-32(20(2)18-33)28(35)24-15-23(31-27(34)22-10-12-30-13-11-22)8-9-25(24)37-21(3)7-5-6-14-36-26(19)16-29-4/h8-13,15,19-21,26,29,33H,5-7,14,16-18H2,1-4H3,(H,31,34)/t19-,20-,21-,26-/m1/s1" ; chebi:inchikey "UGHRLCJQQBYBPV-VLECTGLKSA-N" ; chebi:mass "512.642" ; chebi:monoisotopicmass "512.29987" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104729" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_10473 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28967 ; owl:deprecated true . obo:CHEBI_104730 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H42F3N3O7S" ; chebi:inchi "InChI=1S/C27H42F3N3O7S/c1-18-15-33(19(2)17-34)26(36)22-14-21(31-41(5,37)38)9-10-23(22)40-20(3)8-6-7-13-39-24(18)16-32(4)25(35)11-12-27(28,29)30/h9-10,14,18-20,24,31,34H,6-8,11-13,15-17H2,1-5H3/t18-,19+,20+,24-/m0/s1" ; chebi:inchikey "LBVOXJOHMPITGR-SMOZNVCYSA-N" ; chebi:mass "609.701" ; chebi:monoisotopicmass "609.26956" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104730" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_104731 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H45N3O7S" ; chebi:inchi "InChI=1S/C31H45N3O7S/c1-22-19-34(23(2)21-35)31(37)27-18-26(32-42(5,38)39)14-15-28(27)41-24(3)11-9-10-16-40-29(22)20-33(4)30(36)17-25-12-7-6-8-13-25/h6-8,12-15,18,22-24,29,32,35H,9-11,16-17,19-21H2,1-5H3/t22-,23+,24+,29-/m1/s1" ; chebi:inchikey "VOOFHSDUWYITSP-CAFXQFFASA-N" ; chebi:mass "603.772" ; chebi:monoisotopicmass "603.29782" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104731" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_104732 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O7" ; chebi:inchi "InChI=1S/C32H46N4O7/c1-21-17-36(22(2)19-37)31(38)26-16-25(34(4)5)11-13-27(26)43-23(3)9-7-8-14-40-30(21)18-35(6)32(39)33-24-10-12-28-29(15-24)42-20-41-28/h10-13,15-16,21-23,30,37H,7-9,14,17-20H2,1-6H3,(H,33,39)/t21-,22+,23-,30-/m1/s1" ; chebi:inchikey "SIEZSLVXLUPDNY-UAXFNLPOSA-N" ; chebi:mass "598.731" ; chebi:monoisotopicmass "598.33665" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104732" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(1,3-benzodioxol-5-yl)-1-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_104733 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H41N3O4" ; chebi:inchi "InChI=1S/C24H41N3O4/c1-17-15-27(18(2)16-28)24(29)21-13-20(26(5)6)10-11-22(21)31-19(3)9-7-8-12-30-23(17)14-25-4/h10-11,13,17-19,23,25,28H,7-9,12,14-16H2,1-6H3/t17-,18-,19+,23+/m1/s1" ; chebi:inchikey "AHFPIWRBAUHSCU-GBPOLFSSSA-N" ; chebi:mass "435.601" ; chebi:monoisotopicmass "435.30971" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104733" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_104734 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H52N4O6" ; chebi:inchi "InChI=1S/C35H52N4O6/c1-25-22-39(26(2)24-40)35(43)30-21-29(36-33(41)16-12-19-37(4)5)17-18-31(30)45-27(3)13-10-11-20-44-32(25)23-38(6)34(42)28-14-8-7-9-15-28/h7-9,14-15,17-18,21,25-27,32,40H,10-13,16,19-20,22-24H2,1-6H3,(H,36,41)/t25-,26-,27+,32-/m1/s1" ; chebi:inchikey "SDZYTDXKXKHZJE-BESNRVDSSA-N" ; chebi:mass "624.812" ; chebi:monoisotopicmass "624.38869" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104734" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10R)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide" . obo:CHEBI_104735 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H42N4O5" ; chebi:inchi "InChI=1S/C29H42N4O5/c1-20-18-33(21(2)19-34)28(35)25-16-24(32-29(36)31-23-11-6-5-7-12-23)13-14-26(25)38-22(3)10-8-9-15-37-27(20)17-30-4/h5-7,11-14,16,20-22,27,30,34H,8-10,15,17-19H2,1-4H3,(H2,31,32,36)/t20-,21+,22-,27+/m1/s1" ; chebi:inchikey "HNFJEPMYRFFBAZ-RYBWSMFQSA-N" ; chebi:mass "526.669" ; chebi:monoisotopicmass "526.31552" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104735" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_104736 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H46F3N3O5" ; chebi:inchi "InChI=1S/C29H46F3N3O5/c1-6-14-34(5)18-26-20(2)17-35(21(3)19-36)28(38)24-16-23(33-27(37)12-13-29(30,31)32)10-11-25(24)40-22(4)9-7-8-15-39-26/h10-11,16,20-22,26,36H,6-9,12-15,17-19H2,1-5H3,(H,33,37)/t20-,21-,22-,26-/m0/s1" ; chebi:inchikey "ZWQRBFIYGZIGKO-YGWSKSRPSA-N" ; chebi:mass "573.689" ; chebi:monoisotopicmass "573.33896" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104736" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104737 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H42N4O5" ; chebi:inchi "InChI=1S/C29H42N4O5/c1-20-18-33(21(2)19-34)28(35)25-16-24(32-29(36)31-23-11-6-5-7-12-23)13-14-26(25)38-22(3)10-8-9-15-37-27(20)17-30-4/h5-7,11-14,16,20-22,27,30,34H,8-10,15,17-19H2,1-4H3,(H2,31,32,36)/t20-,21+,22-,27-/m1/s1" ; chebi:inchikey "HNFJEPMYRFFBAZ-RSOWOKRSSA-N" ; chebi:mass "526.669" ; chebi:monoisotopicmass "526.31552" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104737" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_104738 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H51N3O5" ; chebi:inchi "InChI=1S/C31H51N3O5/c1-22-19-34(23(2)21-35)31(37)27-18-26(32(4)5)15-16-28(27)39-24(3)12-10-11-17-38-29(22)20-33(6)30(36)25-13-8-7-9-14-25/h15-16,18,22-25,29,35H,7-14,17,19-21H2,1-6H3/t22-,23+,24+,29+/m1/s1" ; chebi:inchikey "QUSLWNNTNFDPAB-MSCBGTKOSA-N" ; chebi:mass "545.755" ; chebi:monoisotopicmass "545.38287" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104738" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide" . obo:CHEBI_104739 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H46N4O6" ; chebi:inchi "InChI=1S/C31H46N4O6/c1-21-18-35(22(2)20-36)30(37)27-17-25(33-31(38)32-24-10-13-26(39-6)14-11-24)12-15-28(27)41-23(3)9-7-8-16-40-29(21)19-34(4)5/h10-15,17,21-23,29,36H,7-9,16,18-20H2,1-6H3,(H2,32,33,38)/t21-,22+,23+,29+/m1/s1" ; chebi:inchikey "PSEUFYCSFOBFBF-NXRFZHLESA-N" ; chebi:mass "570.721" ; chebi:monoisotopicmass "570.34174" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104739" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_10474 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27397 ; owl:deprecated true . obo:CHEBI_104740 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H45F3N4O5" ; chebi:inchi "InChI=1S/C32H45F3N4O5/c1-22-18-39(23(2)21-40)31(42)27-17-26(37-30(41)10-13-32(33,34)35)8-9-28(27)44-24(3)7-5-6-16-43-29(22)20-38(4)19-25-11-14-36-15-12-25/h8-9,11-12,14-15,17,22-24,29,40H,5-7,10,13,16,18-21H2,1-4H3,(H,37,41)/t22-,23+,24-,29-/m0/s1" ; chebi:inchikey "CWMFJYTZROJEEY-MVPDCNEZSA-N" ; chebi:mass "622.720" ; chebi:monoisotopicmass "622.33421" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104740" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104741 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H47FN4O5" ; chebi:inchi "InChI=1S/C33H47FN4O5/c1-22-18-38(23(2)21-39)32(40)29-17-28(36-33(41)35-27-12-10-26(34)11-13-27)14-15-30(29)43-24(3)7-5-6-16-42-31(22)20-37(4)19-25-8-9-25/h10-15,17,22-25,31,39H,5-9,16,18-21H2,1-4H3,(H2,35,36,41)/t22-,23+,24-,31+/m0/s1" ; chebi:inchikey "STYUMYTXFXXJJW-PHSVBEEISA-N" ; chebi:mass "598.750" ; chebi:monoisotopicmass "598.35305" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104741" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea" . obo:CHEBI_104742 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O4" ; chebi:inchi "InChI=1S/C31H47N3O4/c1-23-19-34(24(2)22-35)31(36)28-18-27(32(4)5)15-16-29(28)38-25(3)12-10-11-17-37-30(23)21-33(6)20-26-13-8-7-9-14-26/h7-9,13-16,18,23-25,30,35H,10-12,17,19-22H2,1-6H3/t23-,24-,25-,30+/m0/s1" ; chebi:inchikey "OPCOPDBCCFUTHV-DNHJLFCISA-N" ; chebi:mass "525.724" ; chebi:monoisotopicmass "525.35666" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104742" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_104743 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O5" ; chebi:inchi "InChI=1S/C29H50N4O5/c1-21-18-33(22(2)20-34)29(36)25-17-24(30-28(35)12-10-15-31(4)5)13-14-26(25)38-23(3)11-8-9-16-37-27(21)19-32(6)7/h13-14,17,21-23,27,34H,8-12,15-16,18-20H2,1-7H3,(H,30,35)/t21-,22-,23-,27+/m0/s1" ; chebi:inchikey "LTGDTYHJVMKPBL-RNLGNXJRSA-N" ; chebi:mass "534.732" ; chebi:monoisotopicmass "534.37812" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104743" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104744 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47N5O6" ; chebi:inchi "InChI=1S/C30H47N5O6/c1-19-16-35(20(2)18-36)29(37)25-15-24(33(6)7)12-13-26(25)40-21(3)11-9-10-14-39-27(19)17-34(8)30(38)31-28-22(4)32-41-23(28)5/h12-13,15,19-21,27,36H,9-11,14,16-18H2,1-8H3,(H,31,38)/t19-,20-,21-,27-/m0/s1" ; chebi:inchikey "AQPDNHSQVUKPGE-RFACUBCZSA-N" ; chebi:mass "573.725" ; chebi:monoisotopicmass "573.35263" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=C(ON=C3C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104744" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea" . obo:CHEBI_104745 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H41N3O6S" ; chebi:inchi "InChI=1S/C24H41N3O6S/c1-17-14-27(18(2)16-28)24(29)21-13-20(25-34(6,30)31)10-11-22(21)33-19(3)9-7-8-12-32-23(17)15-26(4)5/h10-11,13,17-19,23,25,28H,7-9,12,14-16H2,1-6H3/t17-,18+,19+,23-/m0/s1" ; chebi:inchikey "HNAHSZOZZNPVNF-LVBDUCALSA-N" ; chebi:mass "499.666" ; chebi:monoisotopicmass "499.27161" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104745" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_104746 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H43N3O4" ; chebi:inchi "InChI=1S/C25H43N3O4/c1-18-15-28(19(2)17-29)25(30)22-14-21(27(6)7)11-12-23(22)32-20(3)10-8-9-13-31-24(18)16-26(4)5/h11-12,14,18-20,24,29H,8-10,13,15-17H2,1-7H3/t18-,19+,20-,24+/m1/s1" ; chebi:inchikey "PQNWFIFCFFWMJI-ZSTWQFLISA-N" ; chebi:mass "449.628" ; chebi:monoisotopicmass "449.32536" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104746" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,9R,10R)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_104747 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H48N4O6" ; chebi:inchi "InChI=1S/C32H48N4O6/c1-22-19-36(23(2)21-37)31(38)28-18-26(34(4)5)13-16-29(28)42-24(3)10-8-9-17-41-30(22)20-35(6)32(39)33-25-11-14-27(40-7)15-12-25/h11-16,18,22-24,30,37H,8-10,17,19-21H2,1-7H3,(H,33,39)/t22-,23+,24-,30+/m1/s1" ; chebi:inchikey "IYJPIDGCXVWPNR-IFVFNEAISA-N" ; chebi:mass "584.748" ; chebi:monoisotopicmass "584.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104747" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea" . obo:CHEBI_104748 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H45N3O5" ; chebi:inchi "InChI=1S/C31H45N3O5/c1-22-19-34(23(2)21-35)31(37)27-18-26(32-30(36)17-25-12-7-6-8-13-25)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-33(4)5/h6-8,12-15,18,22-24,29,35H,9-11,16-17,19-21H2,1-5H3,(H,32,36)/t22-,23+,24+,29+/m1/s1" ; chebi:inchikey "ZJHDPNYYPDHDNF-MSCBGTKOSA-N" ; chebi:mass "539.707" ; chebi:monoisotopicmass "539.33592" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104748" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_104749 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H45N3O8S" ; chebi:inchi "InChI=1S/C31H45N3O8S/c1-21-16-34(22(2)19-35)31(36)26-15-25(32-43(5,37)38)10-12-27(26)42-23(3)8-6-7-13-39-30(21)18-33(4)17-24-9-11-28-29(14-24)41-20-40-28/h9-12,14-15,21-23,30,32,35H,6-8,13,16-20H2,1-5H3/t21-,22-,23+,30-/m0/s1" ; chebi:inchikey "KQLDLPDWVHVVHP-HKMOBIFTSA-N" ; chebi:mass "619.772" ; chebi:monoisotopicmass "619.29274" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104749" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_10475 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27773 ; owl:deprecated true . obo:CHEBI_104750 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H41N3O6S" ; chebi:inchi "InChI=1S/C24H41N3O6S/c1-17-14-27(18(2)16-28)24(29)21-13-20(25-34(6,30)31)10-11-22(21)33-19(3)9-7-8-12-32-23(17)15-26(4)5/h10-11,13,17-19,23,25,28H,7-9,12,14-16H2,1-6H3/t17-,18-,19+,23-/m1/s1" ; chebi:inchikey "HNAHSZOZZNPVNF-CROMWVBPSA-N" ; chebi:mass "499.666" ; chebi:monoisotopicmass "499.27161" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104750" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_104751 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H43N3O7S" ; chebi:inchi "InChI=1S/C29H43N3O7S/c1-20-18-32(21(2)19-33)29(34)26-16-23(31-40(35,36)25-12-10-24(37-5)11-13-25)9-14-27(26)39-22(3)8-6-7-15-38-28(20)17-30-4/h9-14,16,20-22,28,30-31,33H,6-8,15,17-19H2,1-5H3/t20-,21-,22-,28+/m0/s1" ; chebi:inchikey "MPJVZFHLUPPQBG-MIUQQGMZSA-N" ; chebi:mass "577.735" ; chebi:monoisotopicmass "577.28217" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104751" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_104752 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H44N4O6" ; chebi:inchi "InChI=1S/C35H44N4O6/c1-24-21-39(25(2)23-40)35(43)30-20-29(37-33(41)27-15-17-36-18-16-27)13-14-31(30)45-26(3)10-8-9-19-44-32(24)22-38(4)34(42)28-11-6-5-7-12-28/h5-7,11-18,20,24-26,32,40H,8-10,19,21-23H2,1-4H3,(H,37,41)/t24-,25+,26-,32-/m0/s1" ; chebi:inchikey "IDICBOGPMQOFGC-FBIDWWCOSA-N" ; chebi:mass "616.748" ; chebi:monoisotopicmass "616.32609" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104752" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_104753 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47FN4O5" ; chebi:inchi "InChI=1S/C32H47FN4O5/c1-6-16-36(5)20-30-22(2)19-37(23(3)21-38)31(39)28-18-27(35-32(40)34-26-12-10-25(33)11-13-26)14-15-29(28)42-24(4)9-7-8-17-41-30/h10-15,18,22-24,30,38H,6-9,16-17,19-21H2,1-5H3,(H2,34,35,40)/t22-,23+,24-,30-/m0/s1" ; chebi:inchikey "ZDZLFJDSEKLXNO-PUMORYBASA-N" ; chebi:mass "586.739" ; chebi:monoisotopicmass "586.35305" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)O[C@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104753" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-fluorophenyl)-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104754 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H54N4O5" ; chebi:inchi "InChI=1S/C35H54N4O5/c1-26-22-39(27(2)25-40)35(42)31-21-30(36-34(41)16-12-19-37(4)5)17-18-32(31)44-28(3)13-10-11-20-43-33(26)24-38(6)23-29-14-8-7-9-15-29/h7-9,14-15,17-18,21,26-28,33,40H,10-13,16,19-20,22-25H2,1-6H3,(H,36,41)/t26-,27+,28+,33+/m1/s1" ; chebi:inchikey "YHPMBPSGDQLXHP-VQSVPOMMSA-N" ; chebi:mass "610.828" ; chebi:monoisotopicmass "610.40942" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104754" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104755 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H43N3O7S" ; chebi:inchi "InChI=1S/C29H43N3O7S/c1-20-18-32(21(2)19-33)29(34)26-16-23(31-40(35,36)25-12-10-24(37-5)11-13-25)9-14-27(26)39-22(3)8-6-7-15-38-28(20)17-30-4/h9-14,16,20-22,28,30-31,33H,6-8,15,17-19H2,1-5H3/t20-,21+,22+,28+/m0/s1" ; chebi:inchikey "MPJVZFHLUPPQBG-CLYWQNBRSA-N" ; chebi:mass "577.735" ; chebi:monoisotopicmass "577.28217" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104755" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_104756 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H45F3N4O5" ; chebi:inchi "InChI=1S/C32H45F3N4O5/c1-21-18-39(22(2)20-40)30(41)27-17-26(37(4)5)14-15-28(27)44-23(3)9-7-8-16-43-29(21)19-38(6)31(42)36-25-12-10-24(11-13-25)32(33,34)35/h10-15,17,21-23,29,40H,7-9,16,18-20H2,1-6H3,(H,36,42)/t21-,22+,23+,29-/m0/s1" ; chebi:inchikey "QSYAMXVABCSWEP-KUFVDZEESA-N" ; chebi:mass "622.720" ; chebi:monoisotopicmass "622.33421" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104756" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_104757 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H44F3N3O5" ; chebi:inchi "InChI=1S/C28H44F3N3O5/c1-19-16-34(20(2)18-35)27(37)23-15-22(32(4)5)10-11-24(23)39-21(3)9-7-8-14-38-25(19)17-33(6)26(36)12-13-28(29,30)31/h10-11,15,19-21,25,35H,7-9,12-14,16-18H2,1-6H3/t19-,20+,21-,25-/m1/s1" ; chebi:inchikey "IUWUHICBQVKRRR-FBROZUCGSA-N" ; chebi:mass "559.662" ; chebi:monoisotopicmass "559.32331" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104757" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide" . obo:CHEBI_104758 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O7S" ; chebi:inchi "InChI=1S/C29H50N4O7S/c1-21-18-33(22(2)20-34)29(36)25-17-24(30-41(7,37)38)13-14-26(25)40-23(3)11-8-9-16-39-27(21)19-32(6)28(35)12-10-15-31(4)5/h13-14,17,21-23,27,30,34H,8-12,15-16,18-20H2,1-7H3/t21-,22-,23-,27+/m0/s1" ; chebi:inchikey "MTZUJVYQNWSRMQ-RNLGNXJRSA-N" ; chebi:mass "598.797" ; chebi:monoisotopicmass "598.34002" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104758" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_104759 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40FN3O6S" ; chebi:inchi "InChI=1S/C28H40FN3O6S/c1-19-17-32(20(2)18-33)28(34)25-15-23(31-39(35,36)24-11-8-22(29)9-12-24)10-13-26(25)38-21(3)7-5-6-14-37-27(19)16-30-4/h8-13,15,19-21,27,30-31,33H,5-7,14,16-18H2,1-4H3/t19-,20+,21-,27+/m1/s1" ; chebi:inchikey "OPIQAKQROYPQNZ-RBZJZWSTSA-N" ; chebi:mass "565.699" ; chebi:monoisotopicmass "565.26219" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104759" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_10476 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17692 ; owl:deprecated true . obo:CHEBI_104760 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H47FN4O5" ; chebi:inchi "InChI=1S/C33H47FN4O5/c1-22-18-38(23(2)21-39)32(40)29-17-28(36-33(41)35-27-12-10-26(34)11-13-27)14-15-30(29)43-24(3)7-5-6-16-42-31(22)20-37(4)19-25-8-9-25/h10-15,17,22-25,31,39H,5-9,16,18-21H2,1-4H3,(H2,35,36,41)/t22-,23+,24+,31+/m0/s1" ; chebi:inchikey "STYUMYTXFXXJJW-GPYNCYNASA-N" ; chebi:mass "598.750" ; chebi:monoisotopicmass "598.35305" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)CC4CC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104760" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea" . obo:CHEBI_104761 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H50N4O5" ; chebi:inchi "InChI=1S/C33H50N4O5/c1-23(2)34-33(40)35-28-15-16-30-29(18-28)32(39)37(25(4)22-38)19-24(3)31(41-17-11-10-12-26(5)42-30)21-36(6)20-27-13-8-7-9-14-27/h7-9,13-16,18,23-26,31,38H,10-12,17,19-22H2,1-6H3,(H2,34,35,40)/t24-,25+,26-,31-/m1/s1" ; chebi:inchikey "SIHQACFNVCTPOW-FVCFNFBRSA-N" ; chebi:mass "582.775" ; chebi:monoisotopicmass "582.37812" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104761" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_104762 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H43N3O7S" ; chebi:inchi "InChI=1S/C30H43N3O7S/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-41(5,37)38)14-15-27(26)40-23(3)11-9-10-16-39-28(21)19-32(4)29(35)24-12-7-6-8-13-24/h6-8,12-15,17,21-23,28,31,34H,9-11,16,18-20H2,1-5H3/t21-,22-,23+,28-/m0/s1" ; chebi:inchikey "SCSZUZCJLHTTSJ-QKFCCHLXSA-N" ; chebi:mass "589.746" ; chebi:monoisotopicmass "589.28217" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104762" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide" . obo:CHEBI_104763 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O4" ; chebi:inchi "InChI=1S/C31H47N3O4/c1-23-19-34(24(2)22-35)31(36)28-18-27(32(4)5)15-16-29(28)38-25(3)12-10-11-17-37-30(23)21-33(6)20-26-13-8-7-9-14-26/h7-9,13-16,18,23-25,30,35H,10-12,17,19-22H2,1-6H3/t23-,24+,25+,30-/m1/s1" ; chebi:inchikey "OPCOPDBCCFUTHV-UBRKHCEVSA-N" ; chebi:mass "525.724" ; chebi:monoisotopicmass "525.35666" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104763" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_104764 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H45F3N4O5" ; chebi:inchi "InChI=1S/C32H45F3N4O5/c1-22-18-39(23(2)21-40)31(42)27-17-26(37-30(41)10-13-32(33,34)35)8-9-28(27)44-24(3)7-5-6-16-43-29(22)20-38(4)19-25-11-14-36-15-12-25/h8-9,11-12,14-15,17,22-24,29,40H,5-7,10,13,16,18-21H2,1-4H3,(H,37,41)/t22-,23+,24+,29+/m1/s1" ; chebi:inchikey "CWMFJYTZROJEEY-MSCBGTKOSA-N" ; chebi:mass "622.720" ; chebi:monoisotopicmass "622.33421" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104764" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104765 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H42N4O7" ; chebi:inchi "InChI=1S/C30H42N4O7/c1-19-16-34(20(2)17-35)29(36)24-13-22(32-30(37)33-23-9-11-26-27(14-23)40-18-39-26)8-10-25(24)41-21(3)7-5-6-12-38-28(19)15-31-4/h8-11,13-14,19-21,28,31,35H,5-7,12,15-18H2,1-4H3,(H2,32,33,37)/t19-,20+,21+,28+/m0/s1" ; chebi:inchikey "DZFCVSNNMFSZPA-FDHRJDEYSA-N" ; chebi:mass "570.678" ; chebi:monoisotopicmass "570.30535" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104765" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,3-benzodioxol-5-yl)-3-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104766 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O7" ; chebi:inchi "InChI=1S/C32H46N4O7/c1-21-17-36(22(2)19-37)31(38)26-16-25(34(4)5)11-13-27(26)43-23(3)9-7-8-14-40-30(21)18-35(6)32(39)33-24-10-12-28-29(15-24)42-20-41-28/h10-13,15-16,21-23,30,37H,7-9,14,17-20H2,1-6H3,(H,33,39)/t21-,22-,23+,30-/m0/s1" ; chebi:inchikey "SIEZSLVXLUPDNY-HKMOBIFTSA-N" ; chebi:mass "598.731" ; chebi:monoisotopicmass "598.33665" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104766" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(1,3-benzodioxol-5-yl)-1-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_104767 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40F3N3O5" ; chebi:inchi "InChI=1S/C26H40F3N3O5/c1-17-15-32(18(2)16-33)25(35)21-13-20(31-24(34)10-11-26(27,28)29)8-9-22(21)37-19(3)7-5-6-12-36-23(17)14-30-4/h8-9,13,17-19,23,30,33H,5-7,10-12,14-16H2,1-4H3,(H,31,34)/t17-,18-,19+,23+/m1/s1" ; chebi:inchikey "QBUCHBBMZJBUJI-GBPOLFSSSA-N" ; chebi:mass "531.609" ; chebi:monoisotopicmass "531.29201" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104767" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104768 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H41N3O5" ; chebi:inchi "InChI=1S/C29H41N3O5/c1-20-18-32(21(2)19-33)29(35)25-16-24(31-28(34)23-11-6-5-7-12-23)13-14-26(25)37-22(3)10-8-9-15-36-27(20)17-30-4/h5-7,11-14,16,20-22,27,30,33H,8-10,15,17-19H2,1-4H3,(H,31,34)/t20-,21-,22-,27+/m1/s1" ; chebi:inchikey "AOLQWFIMADKXQA-RKGZYEPBSA-N" ; chebi:mass "511.654" ; chebi:monoisotopicmass "511.30462" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104768" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_104769 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)36(6)19-29-22(3)18-37(23(4)20-38)31(40)27-17-26(35-30(39)25-12-14-33-15-13-25)10-11-28(27)43-24(5)9-7-8-16-42-29/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H,34,41)(H,35,39)/t22-,23-,24+,29+/m0/s1" ; chebi:inchikey "SEDRIVHSDUVLLE-PHBCIFJZSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104769" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_10477 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_29011 ; owl:deprecated true . obo:CHEBI_104770 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)35-27-15-16-29-28(18-27)32(40)37(24(4)21-38)19-23(3)30(42-17-11-10-12-25(5)43-29)20-36(6)31(39)26-13-8-7-9-14-26/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H2,34,35,41)/t23-,24+,25+,30+/m1/s1" ; chebi:inchikey "KOPUKDVKYXJRIR-DUXAABNJSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104770" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide" . obo:CHEBI_104771 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H43N3O7S" ; chebi:inchi "InChI=1S/C30H43N3O7S/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-29(35)24-12-7-6-8-13-24)14-15-27(26)40-23(3)11-9-10-16-39-28(21)19-32(4)41(5,37)38/h6-8,12-15,17,21-23,28,34H,9-11,16,18-20H2,1-5H3,(H,31,35)/t21-,22-,23+,28+/m1/s1" ; chebi:inchikey "XHZKQAVNDGMQPU-DHMIZTNRSA-N" ; chebi:mass "589.746" ; chebi:monoisotopicmass "589.28217" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)S(=O)(=O)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104771" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_104772 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H43N3O4" ; chebi:inchi "InChI=1S/C25H43N3O4/c1-18-15-28(19(2)17-29)25(30)22-14-21(27(6)7)11-12-23(22)32-20(3)10-8-9-13-31-24(18)16-26(4)5/h11-12,14,18-20,24,29H,8-10,13,15-17H2,1-7H3/t18-,19+,20-,24-/m1/s1" ; chebi:inchikey "PQNWFIFCFFWMJI-ZBNTXBBCSA-N" ; chebi:mass "449.628" ; chebi:monoisotopicmass "449.32536" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104772" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,9S,10R)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_104773 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H50N4O5" ; chebi:inchi "InChI=1S/C30H50N4O5/c1-21-18-34(22(2)20-35)29(36)26-17-25(32-30(37)31-24-12-7-6-8-13-24)14-15-27(26)39-23(3)11-9-10-16-38-28(21)19-33(4)5/h14-15,17,21-24,28,35H,6-13,16,18-20H2,1-5H3,(H2,31,32,37)/t21-,22+,23+,28-/m1/s1" ; chebi:inchikey "VUABGABXFJSUSX-YFUNBVQMSA-N" ; chebi:mass "546.743" ; chebi:monoisotopicmass "546.37812" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104773" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104774 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H41N3O4" ; chebi:inchi "InChI=1S/C24H41N3O4/c1-17-15-27(18(2)16-28)24(29)21-13-20(26(5)6)10-11-22(21)31-19(3)9-7-8-12-30-23(17)14-25-4/h10-11,13,17-19,23,25,28H,7-9,12,14-16H2,1-6H3/t17-,18+,19-,23+/m1/s1" ; chebi:inchikey "AHFPIWRBAUHSCU-KCESLBEFSA-N" ; chebi:mass "435.601" ; chebi:monoisotopicmass "435.30971" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104774" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_104775 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O7" ; chebi:inchi "InChI=1S/C32H46N4O7/c1-21-17-36(22(2)19-37)31(38)26-16-25(34(4)5)11-13-27(26)43-23(3)9-7-8-14-40-30(21)18-35(6)32(39)33-24-10-12-28-29(15-24)42-20-41-28/h10-13,15-16,21-23,30,37H,7-9,14,17-20H2,1-6H3,(H,33,39)/t21-,22-,23+,30+/m0/s1" ; chebi:inchikey "SIEZSLVXLUPDNY-CXDLDTBJSA-N" ; chebi:mass "598.731" ; chebi:monoisotopicmass "598.33665" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104775" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(1,3-benzodioxol-5-yl)-1-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_104776 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H44F3N3O5" ; chebi:inchi "InChI=1S/C28H44F3N3O5/c1-19-16-34(20(2)18-35)27(37)23-15-22(32(4)5)10-11-24(23)39-21(3)9-7-8-14-38-25(19)17-33(6)26(36)12-13-28(29,30)31/h10-11,15,19-21,25,35H,7-9,12-14,16-18H2,1-6H3/t19-,20-,21-,25-/m1/s1" ; chebi:inchikey "IUWUHICBQVKRRR-QTDDQOEGSA-N" ; chebi:mass "559.662" ; chebi:monoisotopicmass "559.32331" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104776" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide" . obo:CHEBI_104777 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H44N4O6" ; chebi:inchi "InChI=1S/C35H44N4O6/c1-24-21-39(25(2)23-40)35(43)30-20-29(37-33(41)27-15-17-36-18-16-27)13-14-31(30)45-26(3)10-8-9-19-44-32(24)22-38(4)34(42)28-11-6-5-7-12-28/h5-7,11-18,20,24-26,32,40H,8-10,19,21-23H2,1-4H3,(H,37,41)/t24-,25-,26-,32+/m1/s1" ; chebi:inchikey "IDICBOGPMQOFGC-ZYMMPZCLSA-N" ; chebi:mass "616.748" ; chebi:monoisotopicmass "616.32609" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104777" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_104778 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H45FN4O5" ; chebi:inchi "InChI=1S/C31H45FN4O5/c1-21-18-36(22(2)20-37)30(38)27-17-26(34(4)5)14-15-28(27)41-23(3)9-7-8-16-40-29(21)19-35(6)31(39)33-25-12-10-24(32)11-13-25/h10-15,17,21-23,29,37H,7-9,16,18-20H2,1-6H3,(H,33,39)/t21-,22-,23-,29+/m1/s1" ; chebi:inchikey "AGSKCAQZMPMVIM-OFKKAEEBSA-N" ; chebi:mass "572.712" ; chebi:monoisotopicmass "572.33740" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104778" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-fluorophenyl)-1-methylurea" . obo:CHEBI_104779 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H52N4O5" ; chebi:inchi "InChI=1S/C35H52N4O5/c1-25-21-39(26(2)24-40)35(42)31-20-30(37-34(41)29-11-6-5-7-12-29)13-14-32(31)44-27(3)10-8-9-19-43-33(25)23-38(4)22-28-15-17-36-18-16-28/h13-18,20,25-27,29,33,40H,5-12,19,21-24H2,1-4H3,(H,37,41)/t25-,26+,27+,33-/m0/s1" ; chebi:inchikey "FHYFYPZRCDKSKV-QTLXSIBASA-N" ; chebi:mass "608.813" ; chebi:monoisotopicmass "608.39377" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104779" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_10478 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18371 ; owl:deprecated true . obo:CHEBI_104780 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H60N4O5" ; chebi:inchi "InChI=1S/C35H60N4O5/c1-26-22-39(27(2)25-40)35(42)31-21-30(36-34(41)16-12-19-37(4)5)17-18-32(31)44-28(3)13-10-11-20-43-33(26)24-38(6)23-29-14-8-7-9-15-29/h17-18,21,26-29,33,40H,7-16,19-20,22-25H2,1-6H3,(H,36,41)/t26-,27+,28-,33-/m0/s1" ; chebi:inchikey "XXBVUIDNUVBELT-YENKVUBUSA-N" ; chebi:mass "616.876" ; chebi:monoisotopicmass "616.45637" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104780" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide" . obo:CHEBI_104781 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H52N4O6" ; chebi:inchi "InChI=1S/C35H52N4O6/c1-25-22-39(26(2)24-40)35(43)30-21-29(36-33(41)16-12-19-37(4)5)17-18-31(30)45-27(3)13-10-11-20-44-32(25)23-38(6)34(42)28-14-8-7-9-15-28/h7-9,14-15,17-18,21,25-27,32,40H,10-13,16,19-20,22-24H2,1-6H3,(H,36,41)/t25-,26+,27+,32+/m0/s1" ; chebi:inchikey "SDZYTDXKXKHZJE-MYECLKKLSA-N" ; chebi:mass "624.812" ; chebi:monoisotopicmass "624.38869" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104781" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10S)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide" . obo:CHEBI_104782 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H45N3O5" ; chebi:inchi "InChI=1S/C31H45N3O5/c1-22-19-34(23(2)21-35)31(37)27-18-26(32(4)5)15-16-28(27)39-24(3)12-10-11-17-38-29(22)20-33(6)30(36)25-13-8-7-9-14-25/h7-9,13-16,18,22-24,29,35H,10-12,17,19-21H2,1-6H3/t22-,23-,24+,29-/m0/s1" ; chebi:inchikey "IMDGVULVCKQBDZ-OODISRMCSA-N" ; chebi:mass "539.707" ; chebi:monoisotopicmass "539.33592" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104782" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide" . obo:CHEBI_104783 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N3O6S" ; chebi:inchi "InChI=1S/C30H51N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h14-15,17,22-25,29,31,34H,6-13,16,18-21H2,1-5H3/t22-,23-,24+,29-/m1/s1" ; chebi:inchikey "MOSVBDAIGOGSPE-IDCDSMMUSA-N" ; chebi:mass "581.810" ; chebi:monoisotopicmass "581.34986" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104783" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_104784 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H49N3O7S" ; chebi:inchi "InChI=1S/C30H49N3O7S/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-41(5,37)38)14-15-27(26)40-23(3)11-9-10-16-39-28(21)19-32(4)29(35)24-12-7-6-8-13-24/h14-15,17,21-24,28,31,34H,6-13,16,18-20H2,1-5H3/t21-,22+,23+,28-/m1/s1" ; chebi:inchikey "BJJOMMAJAORXGV-YFUNBVQMSA-N" ; chebi:mass "595.793" ; chebi:monoisotopicmass "595.32912" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)C3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104784" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide" . obo:CHEBI_104785 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H54N4O5" ; chebi:inchi "InChI=1S/C31H54N4O5/c1-8-16-34(7)21-29-23(2)20-35(24(3)22-36)31(38)27-19-26(32-30(37)13-11-17-33(5)6)14-15-28(27)40-25(4)12-9-10-18-39-29/h14-15,19,23-25,29,36H,8-13,16-18,20-22H2,1-7H3,(H,32,37)/t23-,24+,25+,29+/m0/s1" ; chebi:inchikey "NSUWFWDPIIGHAU-GYKHTSFTSA-N" ; chebi:mass "562.785" ; chebi:monoisotopicmass "562.40942" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104785" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_104786 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H43N3O7S" ; chebi:inchi "InChI=1S/C29H43N3O7S/c1-20-18-32(21(2)19-33)29(34)26-16-23(31-40(35,36)25-12-10-24(37-5)11-13-25)9-14-27(26)39-22(3)8-6-7-15-38-28(20)17-30-4/h9-14,16,20-22,28,30-31,33H,6-8,15,17-19H2,1-5H3/t20-,21+,22-,28+/m0/s1" ; chebi:inchikey "MPJVZFHLUPPQBG-KJZXJLKKSA-N" ; chebi:mass "577.735" ; chebi:monoisotopicmass "577.28217" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104786" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_104787 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24-,25-,30-/m0/s1" ; chebi:inchikey "RSKGZFLSRBPJST-XZSZPMDUSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104787" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_104788 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N3O6" ; chebi:inchi "InChI=1S/C32H47N3O6/c1-22-18-35(23(2)21-36)31(37)28-17-27(33(4)5)14-15-29(28)41-24(3)9-7-8-16-40-30(22)20-34(6)19-25-10-12-26(13-11-25)32(38)39/h10-15,17,22-24,30,36H,7-9,16,18-21H2,1-6H3,(H,38,39)/t22-,23-,24+,30+/m1/s1" ; chebi:inchikey "JGZXBABAHUXSMS-UCTCLUAXSA-N" ; chebi:mass "569.733" ; chebi:monoisotopicmass "569.34649" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)C(=O)O" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104788" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl-methylamino]methyl]benzoic acid" . obo:CHEBI_104789 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H50N4O6" ; chebi:inchi "InChI=1S/C35H50N4O6/c1-24-21-39(25(2)23-40)35(43)30-20-29(37-33(41)27-11-6-5-7-12-27)13-14-31(30)45-26(3)10-8-9-19-44-32(24)22-38(4)34(42)28-15-17-36-18-16-28/h13-18,20,24-27,32,40H,5-12,19,21-23H2,1-4H3,(H,37,41)/t24-,25+,26+,32-/m0/s1" ; chebi:inchikey "OQPYQZIBKYAWRE-GSDPCRBASA-N" ; chebi:mass "622.796" ; chebi:monoisotopicmass "622.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=NC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104789" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-16-[[cyclohexyl(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_10479 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16231 ; owl:deprecated true . obo:CHEBI_104790 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H44N4O6" ; chebi:inchi "InChI=1S/C35H44N4O6/c1-24-21-39(25(2)23-40)35(43)30-20-29(37-33(41)27-15-17-36-18-16-27)13-14-31(30)45-26(3)10-8-9-19-44-32(24)22-38(4)34(42)28-11-6-5-7-12-28/h5-7,11-18,20,24-26,32,40H,8-10,19,21-23H2,1-4H3,(H,37,41)/t24-,25+,26+,32+/m1/s1" ; chebi:inchikey "IDICBOGPMQOFGC-UJFVLINRSA-N" ; chebi:mass "616.748" ; chebi:monoisotopicmass "616.32609" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104790" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_104791 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O5" ; chebi:inchi "InChI=1S/C28H40N4O5/c1-19-17-32(20(2)18-33)28(35)24-15-23(31-27(34)22-10-12-30-13-11-22)8-9-25(24)37-21(3)7-5-6-14-36-26(19)16-29-4/h8-13,15,19-21,26,29,33H,5-7,14,16-18H2,1-4H3,(H,31,34)/t19-,20+,21-,26-/m0/s1" ; chebi:inchikey "UGHRLCJQQBYBPV-LMMUWCHVSA-N" ; chebi:mass "512.642" ; chebi:monoisotopicmass "512.29987" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104791" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_104792 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H51N3O5" ; chebi:inchi "InChI=1S/C31H51N3O5/c1-22-19-34(23(2)21-35)31(37)27-18-26(32(4)5)15-16-28(27)39-24(3)12-10-11-17-38-29(22)20-33(6)30(36)25-13-8-7-9-14-25/h15-16,18,22-25,29,35H,7-14,17,19-21H2,1-6H3/t22-,23+,24-,29+/m1/s1" ; chebi:inchikey "QUSLWNNTNFDPAB-HZTMJRFTSA-N" ; chebi:mass "545.755" ; chebi:monoisotopicmass "545.38287" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104792" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide" . obo:CHEBI_104793 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O5" ; chebi:inchi "InChI=1S/C28H40N4O5/c1-19-17-32(20(2)18-33)28(35)24-15-23(31-27(34)22-10-12-30-13-11-22)8-9-25(24)37-21(3)7-5-6-14-36-26(19)16-29-4/h8-13,15,19-21,26,29,33H,5-7,14,16-18H2,1-4H3,(H,31,34)/t19-,20-,21+,26+/m1/s1" ; chebi:inchikey "UGHRLCJQQBYBPV-YRKFHGTDSA-N" ; chebi:mass "512.642" ; chebi:monoisotopicmass "512.29987" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104793" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_104794 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H52N4O5" ; chebi:inchi "InChI=1S/C30H52N4O5/c1-22-19-34(23(2)21-35)30(37)26-18-25(32(6)7)14-15-27(26)39-24(3)12-9-10-17-38-28(22)20-33(8)29(36)13-11-16-31(4)5/h14-15,18,22-24,28,35H,9-13,16-17,19-21H2,1-8H3/t22-,23+,24+,28+/m1/s1" ; chebi:inchikey "FCDOAUZTELHSSL-DELVEFKNSA-N" ; chebi:mass "548.759" ; chebi:monoisotopicmass "548.39377" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104794" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_104795 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40FN3O6S" ; chebi:inchi "InChI=1S/C28H40FN3O6S/c1-19-17-32(20(2)18-33)28(34)25-15-23(31-39(35,36)24-11-8-22(29)9-12-24)10-13-26(25)38-21(3)7-5-6-14-37-27(19)16-30-4/h8-13,15,19-21,27,30-31,33H,5-7,14,16-18H2,1-4H3/t19-,20-,21-,27-/m0/s1" ; chebi:inchikey "OPIQAKQROYPQNZ-RFACUBCZSA-N" ; chebi:mass "565.699" ; chebi:monoisotopicmass "565.26219" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104795" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_104796 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H50N4O6" ; chebi:inchi "InChI=1S/C35H50N4O6/c1-24-21-39(25(2)23-40)35(43)30-20-29(37-33(41)27-15-17-36-18-16-27)13-14-31(30)45-26(3)10-8-9-19-44-32(24)22-38(4)34(42)28-11-6-5-7-12-28/h13-18,20,24-26,28,32,40H,5-12,19,21-23H2,1-4H3,(H,37,41)/t24-,25+,26-,32-/m1/s1" ; chebi:inchikey "LKIIRWUIYHEPDR-VUKRRIEASA-N" ; chebi:mass "622.796" ; chebi:monoisotopicmass "622.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4CCCCC4" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104796" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[[[cyclohexyl(oxo)methyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_104797 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H41FN4O5" ; chebi:inchi "InChI=1S/C29H41FN4O5/c1-19-17-34(20(2)18-35)28(36)25-15-24(33-29(37)32-23-10-8-22(30)9-11-23)12-13-26(25)39-21(3)7-5-6-14-38-27(19)16-31-4/h8-13,15,19-21,27,31,35H,5-7,14,16-18H2,1-4H3,(H2,32,33,37)/t19-,20-,21+,27-/m0/s1" ; chebi:inchikey "QNMRQELCDYNENZ-GRWWNZOSSA-N" ; chebi:mass "544.659" ; chebi:monoisotopicmass "544.30610" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104797" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-fluorophenyl)-3-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_104798 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H42F3N3O7S" ; chebi:inchi "InChI=1S/C27H42F3N3O7S/c1-18-15-33(19(2)17-34)26(36)22-14-21(31-41(5,37)38)9-10-23(22)40-20(3)8-6-7-13-39-24(18)16-32(4)25(35)11-12-27(28,29)30/h9-10,14,18-20,24,31,34H,6-8,11-13,15-17H2,1-5H3/t18-,19+,20-,24+/m0/s1" ; chebi:inchikey "LBVOXJOHMPITGR-CMCWBKRRSA-N" ; chebi:mass "609.701" ; chebi:monoisotopicmass "609.26956" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104798" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_104799 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H41N3O4" ; chebi:inchi "InChI=1S/C24H41N3O4/c1-17-15-27(18(2)16-28)24(29)21-13-20(26(5)6)10-11-22(21)31-19(3)9-7-8-12-30-23(17)14-25-4/h10-11,13,17-19,23,25,28H,7-9,12,14-16H2,1-6H3/t17-,18+,19-,23+/m0/s1" ; chebi:inchikey "AHFPIWRBAUHSCU-QPXQOZNCSA-N" ; chebi:mass "435.601" ; chebi:monoisotopicmass "435.30971" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104799" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_1048 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27837 ; owl:deprecated true . obo:CHEBI_10480 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28397 ; owl:deprecated true . obo:CHEBI_104800 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H52N4O6" ; chebi:inchi "InChI=1S/C34H52N4O6/c1-23(2)35-34(41)36-28-13-16-31-30(18-28)33(40)38(25(4)22-39)19-24(3)32(43-17-9-8-10-26(5)44-31)21-37(6)20-27-11-14-29(42-7)15-12-27/h11-16,18,23-26,32,39H,8-10,17,19-22H2,1-7H3,(H2,35,36,41)/t24-,25-,26+,32+/m1/s1" ; chebi:inchikey "JCVAFPCEYZSYDX-XPZOENDESA-N" ; chebi:mass "612.801" ; chebi:monoisotopicmass "612.38869" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104800" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_104801 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H45F3N4O5" ; chebi:inchi "InChI=1S/C32H45F3N4O5/c1-21-18-39(22(2)20-40)30(41)27-17-26(37(4)5)14-15-28(27)44-23(3)9-7-8-16-43-29(21)19-38(6)31(42)36-25-12-10-24(11-13-25)32(33,34)35/h10-15,17,21-23,29,40H,7-9,16,18-20H2,1-6H3,(H,36,42)/t21-,22-,23+,29-/m1/s1" ; chebi:inchikey "QSYAMXVABCSWEP-LDIMMVFUSA-N" ; chebi:mass "622.720" ; chebi:monoisotopicmass "622.33421" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104801" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_104802 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H52N4O5" ; chebi:inchi "InChI=1S/C30H52N4O5/c1-22-19-34(23(2)21-35)30(37)26-18-25(32(6)7)14-15-27(26)39-24(3)12-9-10-17-38-28(22)20-33(8)29(36)13-11-16-31(4)5/h14-15,18,22-24,28,35H,9-13,16-17,19-21H2,1-8H3/t22-,23-,24+,28+/m0/s1" ; chebi:inchikey "FCDOAUZTELHSSL-FLSMRUOLSA-N" ; chebi:mass "548.759" ; chebi:monoisotopicmass "548.39377" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104802" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_104803 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H47N3O4" ; chebi:inchi "InChI=1S/C27H47N3O4/c1-8-14-29(7)18-26-20(2)17-30(21(3)19-31)27(32)24-16-23(28(5)6)12-13-25(24)34-22(4)11-9-10-15-33-26/h12-13,16,20-22,26,31H,8-11,14-15,17-19H2,1-7H3/t20-,21+,22+,26-/m0/s1" ; chebi:inchikey "KFCLPYACNRFGCM-BOCITWAFSA-N" ; chebi:mass "477.681" ; chebi:monoisotopicmass "477.35666" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104803" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_104804 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H46ClN3O6S" ; chebi:inchi "InChI=1S/C31H46ClN3O6S/c1-6-16-34(5)20-30-22(2)19-35(23(3)21-36)31(37)28-18-26(33-42(38,39)27-13-10-25(32)11-14-27)12-15-29(28)41-24(4)9-7-8-17-40-30/h10-15,18,22-24,30,33,36H,6-9,16-17,19-21H2,1-5H3/t22-,23+,24+,30-/m1/s1" ; chebi:inchikey "XCNKIYRWXFRDDY-DLWGQWRRSA-N" ; chebi:mass "624.234" ; chebi:monoisotopicmass "623.27959" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104804" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_104805 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H43F3N4O5" ; chebi:inchi "InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21-,22-,28-/m1/s1" ; chebi:inchikey "GMYAYTAKTSTYEI-SOLZYKTISA-N" ; chebi:mass "608.693" ; chebi:monoisotopicmass "608.31855" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104805" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_104806 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H44N4O6" ; chebi:inchi "InChI=1S/C30H44N4O6/c1-20-18-34(21(2)19-35)29(36)26-16-24(33-30(37)32-23-9-12-25(38-5)13-10-23)11-14-27(26)40-22(3)8-6-7-15-39-28(20)17-31-4/h9-14,16,20-22,28,31,35H,6-8,15,17-19H2,1-5H3,(H2,32,33,37)/t20-,21-,22+,28-/m1/s1" ; chebi:inchikey "QZYXNEJVPTWBHC-SITKICAQSA-N" ; chebi:mass "556.695" ; chebi:monoisotopicmass "556.32609" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104806" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_104807 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H60N4O5" ; chebi:inchi "InChI=1S/C35H60N4O5/c1-26-22-39(27(2)25-40)35(42)31-21-30(36-34(41)16-12-19-37(4)5)17-18-32(31)44-28(3)13-10-11-20-43-33(26)24-38(6)23-29-14-8-7-9-15-29/h17-18,21,26-29,33,40H,7-16,19-20,22-25H2,1-6H3,(H,36,41)/t26-,27+,28-,33+/m1/s1" ; chebi:inchikey "XXBVUIDNUVBELT-CPWWYQHDSA-N" ; chebi:mass "616.876" ; chebi:monoisotopicmass "616.45637" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104807" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide" . obo:CHEBI_104808 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O5" ; chebi:inchi "InChI=1S/C28H40N4O5/c1-19-17-32(20(2)18-33)28(35)24-15-23(31-27(34)22-10-12-30-13-11-22)8-9-25(24)37-21(3)7-5-6-14-36-26(19)16-29-4/h8-13,15,19-21,26,29,33H,5-7,14,16-18H2,1-4H3,(H,31,34)/t19-,20-,21-,26+/m1/s1" ; chebi:inchikey "UGHRLCJQQBYBPV-AXMKBWGCSA-N" ; chebi:mass "512.642" ; chebi:monoisotopicmass "512.29987" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104808" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_104809 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H43N5O6" ; chebi:inchi "InChI=1S/C28H43N5O6/c1-17-15-33(18(2)16-34)27(35)23-13-22(30-28(36)31-26-20(4)32-39-21(26)5)10-11-24(23)38-19(3)9-7-8-12-37-25(17)14-29-6/h10-11,13,17-19,25,29,34H,7-9,12,14-16H2,1-6H3,(H2,30,31,36)/t17-,18+,19+,25-/m0/s1" ; chebi:inchikey "OIOMLIQJBPNRTR-LRYHZEFKSA-N" ; chebi:mass "545.672" ; chebi:monoisotopicmass "545.32133" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104809" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_10481 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28993 ; owl:deprecated true . obo:CHEBI_104810 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40FN3O6S" ; chebi:inchi "InChI=1S/C28H40FN3O6S/c1-19-17-32(20(2)18-33)28(34)25-15-23(31-39(35,36)24-11-8-22(29)9-12-24)10-13-26(25)38-21(3)7-5-6-14-37-27(19)16-30-4/h8-13,15,19-21,27,30-31,33H,5-7,14,16-18H2,1-4H3/t19-,20-,21+,27-/m1/s1" ; chebi:inchikey "OPIQAKQROYPQNZ-CQXYJFHHSA-N" ; chebi:mass "565.699" ; chebi:monoisotopicmass "565.26219" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@H](C)CO)C)CNC" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104810" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_104811 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H46N4O4" ; chebi:inchi "InChI=1S/C30H46N4O4/c1-22-18-34(23(2)21-35)30(36)27-17-26(32(4)5)10-11-28(27)38-24(3)9-7-8-16-37-29(22)20-33(6)19-25-12-14-31-15-13-25/h10-15,17,22-24,29,35H,7-9,16,18-21H2,1-6H3/t22-,23+,24-,29-/m1/s1" ; chebi:inchikey "ZQLCRBSTGDSWQO-CDLOMYRSSA-N" ; c