FULL DB
Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
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STL525768
Synonyms: 6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-ylN-(tert-butoxycarbonyl)-D-isoleucinate
Smiles: CCCCc1cc2c(cc1OC(=O)[C@@H](C(CC)C)NC(=O)OC(C)(C)C)occ(c2=O)c1csc(n1)C
STL525769
Synonyms: benzyl{[(8beta)-1,6-dimethylergolin-8-yl]methyl}carbamate
Smiles: O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C
STL525770
Synonyms: methylN-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)histidinate
Smiles: COC(=O)C(Cc1c[nH]cn1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
STL525771
Synonyms: N-{2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoyl}-D-norvaline
Smiles: CCC[C@H](C(=O)O)NC(=O)C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C
STL525772
Synonyms: (8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-ylpropanoate
Smiles: CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)C=C[C@]12C
STL525773
Synonyms: (5alpha,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-1-en-3-one
Smiles: O=C1C=C[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C
STL525774
Synonyms: 4,4'-(1,3-thiazole-2,4-diyl)bis(1-oxaspiro[4.5]decan-2-one)
Smiles: O=C1CC(C2(O1)CCCCC2)c1scc(n1)C1CC(=O)OC21CCCCC2
STL525775
Synonyms: (5S)-8-oxo-N-phenyl-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1ccccc1
STL525776
Synonyms: 8-butyl-8-methyltetrahydro-5H-[1,3]thiazolo[3,2-a]pyrazin-3(2H)-one
Smiles: CCCCC1(C)NCCN2C1SCC2=O
STL525777
Synonyms: 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione
Smiles: COc1ccc(cc1)C1=NC2(C(=NN1)N(C)C(=O)N(C2=O)C)c1c[nH]c2c1cccc2
STL525778
Synonyms: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyltricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL525779
Synonyms: 4-methoxyphenyl6-deoxy-6-iodo-beta-D-glucopyranoside
Smiles: IC[C@H]1O[C@@H](Oc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O
STL525780
Synonyms: [3-(1-benzofuran-2-yl)oxiran-2-yl][2-(benzyloxy)-5-bromophenyl]methanone
Smiles: Brc1ccc(c(c1)C(=O)C1OC1c1cc2c(o1)cccc2)OCc1ccccc1
STL525781
Synonyms: N,N-dimethyl-4-[(9R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]aniline
Smiles: CC1=CC(C)[C@H]2C([C@@H]1C(OC2)c1ccc(cc1)N(C)C)C
STL525782
Synonyms: 8a-methyl-5-methylidene-3-[(octadecylamino)methyl]decahydronaphtho[2,3-b]furan-2(3H)-one
Smiles: CCCCCCCCCCCCCCCCCCNCC1C(=O)OC2C1CC1C(=C)CCCC1(C2)C
STL525783
Synonyms: methyl(2Z,5xi,9xi,13xi,17xi,18xi)-2-(3-iodobenzylidene)-3-oxolup-20(29)-en-28-oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)C/C(=C/c1cccc(c1)I)/C(=O)C3(C)C)C(=C)C
STL525785
Synonyms: (8xi,9xi,14xi)-20-oxopregn-5-ene-3,17,21-triyltriacetate
Smiles: CC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)OC(=O)C
STL525786
Synonyms: N~6~-[(7S)-1,2,3-trimethoxy-7-(methylamino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]lysine
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NCCCCC(C(=O)O)N)c(OC)c(c(c2)OC)OC
STL525787
Synonyms: N-{(2E)-2-[(phenylcarbonyl)amino]-3-[4-(propan-2-yloxy)phenyl]prop-2-enoyl}phenylalanine
Smiles: CC(Oc1ccc(cc1)/C=C(\C(=O)NC(C(=O)O)Cc1ccccc1)/NC(=O)c1ccccc1)C
STL525788
Synonyms: (8xi,9xi,14xi,16alpha,17alpha)-17-cyano-16,17-dihydroxyandrost-5-en-3-ylacetate
Smiles: N#C[C@@]1(O)[C@H](O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C
STL525789
Synonyms: 12,13-dimethoxy-6,6-dimethyl-1,3,5,6,7,9,10,14b-octahydroisoquino[2,1-a][1,5]benzodiazepine-2,4-dione
Smiles: COc1cc2c(cc1OC)CCN1C2CC(=O)NC2=C1CC(C)(C)CC2=O
STL525790
Synonyms: 2,2,7-trimethyl-5,8-dihydro-2H-4a,8-methanobenzo[8]annulene-4,9(1H,3H)-dione
Smiles: O=C1C=C2CC(C)(C)CC(=O)C32CC1C(=CC3)C
STL525791
Synonyms: 4-oxo-3-phenoxy-4H-chromen-7-ylN-(tert-butoxycarbonyl)-D-leucinate
Smiles: CC(C[C@H](C(=O)Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1)NC(=O)OC(C)(C)C)C
STL525792
Synonyms: 3,3'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]dipyrrolidine-2,5-dione
Smiles: O=C1NC(=O)CC1c1ccc(cc1)OCCCCCOc1ccc(cc1)C1CC(=O)NC1=O
STL525793
Synonyms: (5alpha,8xi,9xi,14xi)-17-oxoandrostan-3-yl4-methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C
STL525794
Synonyms: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ylbenzoate
Smiles: O=C(c1ccccc1)OC1CCN2C1=Nc1ccccc1C2
STL525795
Synonyms: N-{(2E)-2-[(phenylcarbonyl)amino]-3-[4-(propan-2-yloxy)phenyl]prop-2-enoyl}methionine
Smiles: CSCCC(C(=O)O)NC(=O)/C(=C\c1ccc(cc1)OC(C)C)/NC(=O)c1ccccc1
STL525796
Synonyms: N'-[(3Z)-1-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-3,4-dimethoxybenzohydrazide
Smiles: COc1cc(ccc1OC)C(=O)N/N=C\1/c2ccccc2N(C1=O)CN1CCc2c([C@@H]1C)cc(c(c2)OC)OC
STL525797
Synonyms: methyl(2S,4aS,6aS,6bR,13aS)-2,4a,6a,6b,9,9,13a-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-octadecahydropiceno[2,3-d][1,2]oxazole-2-carboxylate
Smiles: COC(=O)[C@@]1(C)CC[C@]2(C(C1)C1=CC(=O)C3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)Cc2cnoc2C1(C)C)C
STL525798
Synonyms: ({[(3Z,8xi,9xi,14xi)-17-(propanoyloxy)androst-4-en-3-ylidene]amino}oxy)aceticacid
Smiles: CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)O)/CC[C@]12C
STL525799
Synonyms: N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)alanylnorleucine
Smiles: CCCCC(C(=O)O)NC(=O)C(NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)C
STL525800
Synonyms: (4aR,6aS,6bS,9aR,12S)-12-fluoro-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
Smiles: OCC(=O)[C@@]12OC(O[C@@H]1CC1[C@]2(C)CCC2C1C[C@@H](C1=CC(=O)CC[C@]21C)F)(C)C
STL525801
Synonyms: 3-pentyl-5-(phenoxymethyl)dihydrofuran-2(3H)-one(non-preferredname)
Smiles: CCCCCC1CC(OC1=O)COc1ccccc1
STL525802
Synonyms: methyl(3alpha,5beta,8xi,9xi,12alpha,14xi,17xi,20xi)-3,12-dihydroxy-7-oxocholan-24-oate
Smiles: COC(=O)CCC(C1CCC2[C@]1(C)[C@@H](O)CC1C2C(=O)C[C@H]2[C@]1(C)CC[C@H](C2)O)C
STL525803
Synonyms: (8xi,9xi,14xi,17xi)-3,20-dioxopregn-4-en-21-ylbenzoate
Smiles: O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)COC(=O)c1ccccc1)C)C
STL525804
Synonyms: (1S,2R)-2-amino-3-ethoxy-3-oxo-1-phenylpropyldecanoate
Smiles: CCCCCCCCCC(=O)O[C@H]([C@H](C(=O)OCC)N)c1ccccc1
STL525805
Synonyms: (4R)-4-(4-methoxyphenyl)-2,4-dimethyl-5,6-dihydro-4H-benzo[d]cyclohepta[1,2-b:3,4-b']difuran
Smiles: COc1ccc(cc1)[C@@]1(C)CCc2c(c3c1cc(o3)C)c1c(o2)cccc1
STL525806
Synonyms: 1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidin]-2(1H)-one
Smiles: O=C1N(Cc2ccccc2)c2c(C31CCNC3(C)C)cccc2
STL525807
Synonyms: (2R,2'S)-2,2',3,3,3',3'-hexahydroxy-2,2',3,3'-tetrahydro-1H,1'H-2,2'-biindene-1,1'-dione
Smiles: O=C1c2ccccc2C([C@]1(O)[C@@]1(O)C(=O)c2c(C1(O)O)cccc2)(O)O
STL525808
Synonyms: methyl(2Z,5xi,9xi,13xi,17xi,18xi)-2-benzylidene-3-oxolup-20(29)-en-28-oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)C/C(=C/c1ccccc1)/C(=O)C3(C)C)C(=C)C
STL525809
Synonyms: methylN-{2-[(6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-D-valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)C(Oc1cc2oc(=O)cc(c2cc1CC)C)C
STL525810
Synonyms: 3-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(C1CCOC(C1)(C)C)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL525811
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylidene]methanamine
Smiles: COc1cc(OC)c(cc1/C=N/CC1COc2c(O1)cccc2)OC
STL525812
Synonyms: dimethyl[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]phosphonate
Smiles: COP(=O)(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)OC
STL525813
Synonyms: (4aR,6aS,6bS,9aR)-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxole-6b-carboxylicacid
Smiles: O=C1C=C[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1C[C@@H]1[C@]2(OC(O1)(C)C)C(=O)O)C)C
STL525814
Synonyms: 4-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)C1COc2c(O1)cccc2
STL525815
Synonyms: 4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Smiles: COc1ccc(cc1OC)C1CC(=O)N(C2=C1C(=O)CC(C2)(C)C)C
STL525816
Synonyms: N-{(7S)-10-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)amino]-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NC2CCOC(C2)(C)C)NC(=O)C)cc(c1OC)OC
STL525817
Synonyms: (8xi,9xi,14xi)-androst-5-ene-3,17,19-triol
Smiles: OC[C@]12CCC(CC1=CCC1C2CC[C@]2(C1CCC2O)C)O
STL525818
Synonyms: methyl5-[(2E)-3-(furan-2-yl)prop-2-enoyl]-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)C(C(=O)/C=C/c2ccco2)C(=O)CC1(C)C
STL525819
Synonyms: (8xi,9xi,14xi)-17-(acetylamino)-3-(acetyloxy)androst-5-en-16-yl5-(acetyloxy)-4-methylpentanoate
Smiles: CC(COC(=O)C)CCC(=O)OC1CC2[C@](C1NC(=O)C)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C
STL525820
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]histidine
Smiles: C[C@@]12CC/C(=N\OCC(=O)NC(C(=O)O)Cc3c[nH]cn3)/C=C2CCC2C1CC[C@]1(C2CC[C@]1(O)C#C)C
STL525821
Synonyms: (8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-ylpropanoate
Smiles: CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL525822
Synonyms: N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-oxo-4-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butanamide
Smiles: O=C(NC1CCOC(C1)(C)C)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL525823
Synonyms: (1-methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl)methanol
Smiles: OCC1CN(C)CC=C1c1ccccc1
STL525824
Synonyms: (1R,5S)-3-(diphenylacetyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(C(c1ccccc1)c1ccccc1)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL525825
Synonyms: ethyl5-methoxy-3-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cc(cc2)OC
STL525827
Synonyms: 5-(4-ethoxybenzyl)-1-(4-methoxyphenyl)-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC
STL525828
Synonyms: N'-[(5alpha,8xi,9xi,14xi,17Z)-androst-2-en-17-ylidene]pyridine-4-carbohydrazide
Smiles: O=C(c1ccncc1)N/N=C\1/CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CC=CC2
STL525829
Synonyms: 4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-ylN,O-bis(tert-butoxycarbonyl)-D-tyrosinate
Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F)Cc1ccc(cc1)OC(=O)OC(C)(C)C
STL525830
Synonyms: 1,2-dimethoxy-4b,5,8,9-tetrahydro-7H-cyclopenta[4',5']thieno[3',2':5,6]pyrimido[2,1-a]isoindole-6,12-dione
Smiles: COc1ccc2c(c1OC)C(=O)N1C2NC(=O)c2c1sc1c2CCC1
STL525831
Synonyms: N-(3-carboxy-5-nitrophenyl)hexopyranosylamine
Smiles: OCC1OC(Nc2cc(cc(c2)C(=O)O)[N+](=O)[O-])C(C(C1O)O)O
STL525832
Synonyms: 5-(2-methoxybenzyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccccc1CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1
STL525833
Synonyms: ethylN,O-bis(tert-butoxycarbonyl)tyrosyl-L-alanylglycylglycinate
Smiles: CCOC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)C(Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C
STL525834
Synonyms: 4-[4-hydroxy-3-(methoxycarbonyl)benzyl]-2-[2,3,5-tris-O-(phenylcarbonyl)-D-ribofuranosyl]-1,2,4-triazine-3,5(2H,4H)-dione
Smiles: COC(=O)c1cc(ccc1O)Cn1c(=O)cnn(c1=O)C1O[C@@H]([C@H]([C@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1
STL525835
Synonyms: 3-(3-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-ylD-isoleucinate
Smiles: CCC([C@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1cccc(c1)F)C)N)C
STL525836
Synonyms: methylN-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL525837
Synonyms: 4-(7-ethoxy-5-hydroxy-4-oxo-4H-chromen-3-yl)phenylhexopyranoside
Smiles: CCOc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)OC1OC(CO)C(C(C1O)O)O
STL525838
Synonyms: (1R,5R)-3-(5,6-dihydro-1,4-dioxin-2-ylcarbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C1=COCCO1
STL525839
Synonyms: 3-(4-methoxyphenyl)-N-{(2S)-1-oxo-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-3-phenylpropan-2-yl}propanamide
Smiles: COc1ccc(cc1)CCC(=O)N[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
STL525840
Synonyms: (3aS,6aS)-5-(4-methylphenyl)-3-(pyrazin-2-ylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NN2)C(=O)c1cnccn1
STL525841
Synonyms: (2Z)-2-[(3Z,5alpha,8xi,9xi,14xi)-17-hydroxyandrostan-3-ylidene]hydrazinecarbothioamide
Smiles: NC(=S)N/N=C\1/CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2O)C)C
STL525842
Synonyms: 3-(2-fluorophenoxy)-4-oxo-4H-chromen-7-yl4-{[N,O-bis(tert-butoxycarbonyl)-D-tyrosyl]amino}butanoate
Smiles: O=C(Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1F)CCCNC(=O)[C@@H](Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
STL525843
Synonyms: 3-[4-(methoxycarbonyl)phenoxy]-2-methyl-4-oxo-4H-chromen-7-ylO-benzyl-N-(tert-butoxycarbonyl)tyrosinate
Smiles: COC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OC(=O)C(Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C
STL525844
Synonyms: [(1R,9R)-4-(1,3-benzodioxol-5-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methylpropan-2-ylcarbamate
Smiles: CC(NC(=O)OC[C@]12COC(C([C@@H]2C)C(=CC1C)C)c1ccc2c(c1)OCO2)C
STL525845
Synonyms: (4aR,6aS)-6b-acetyl-4a,6a,13-trimethyl-3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-2H-indeno[2,1-a]phenanthren-2-one
Smiles: O=C1CC[C@]2(C(=C1)C(C)CC1C2CC[C@]2(C1CC1C2(CCCC1)C(=O)C)C)C
STL525846
Synonyms: 4-oxo-4-[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-N-[(1S)-1-phenylethyl]butanamide
Smiles: O=C(N[C@H](c1ccccc1)C)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL525847
Synonyms: 2-[(3aS,10cS)-1,3-dioxo-3,3a,4,5,6,10c-hexahydropyrrolo[3,4-c]carbazol-2(1H)-yl]-N,N-diethylacetamide
Smiles: CCN(C(=O)CN1C(=O)[C@@H]2[C@H](C1=O)c1c(CC2)[nH]c2c1cccc2)CC
STL525848
Synonyms: N-[(7S)-1,2,3-trimethoxy-10-{[2-(4-methoxyphenyl)ethyl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: COc1ccc(cc1)CCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
STL525850
Synonyms: (8xi,14xi,16alpha)-9-fluoro-16,17-dihydroxy-3,20-dioxopregna-1,4-diene-11,21-diyldiacetate
Smiles: CC(=O)OC1C[C@@]2(C)C(C3[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(O)C(=O)COC(=O)C)O
STL525851
Synonyms: (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(1-phenylcyclopentyl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)C1(CCCC1)c1ccccc1
STL525852
Synonyms: [(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino](phenyl)aceticacid
Smiles: O=C(NC(c1ccccc1)C(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
STL525853
Synonyms: (8xi,9xi,14xi)-20-oxo-3-(phosphonooxy)pregn-5-ene-17,21-diyldiacetate
Smiles: CC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OP(=O)(O)O)OC(=O)C
STL525854
Synonyms: (2E)-3-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
Smiles: COc1ccc(cc1)C(=O)/C=C/N1CCc2c([C@@H]1C)cc(c(c2)O)OC
STL525855
Synonyms: 2-chloro-3-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]naphthalene-1,4-dione
Smiles: O=C1C(=C(N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)c2c1cccc2)Cl
STL525856
Synonyms: (8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-ylpentanoate
Smiles: CCCCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL525857
Synonyms: (8xi,9xi,14xi)-3,20-dioxopregn-4-en-17-ylheptanoate
Smiles: CCCCCCC(=O)O[C@@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)C(=O)C
STL525858
Synonyms: (3alpha,5alpha,8xi,14xi,16alpha)-17-hydroxy-16-methyl-20-oxopregn-9(11)-en-3-yl3-iodobenzoate
Smiles: Ic1cccc(c1)C(=O)O[C@@H]1CC[C@]2([C@H](C1)CCC1C2=CC[C@]2(C1C[C@H]([C@]2(O)C(=O)C)C)C)C
STL525859
Synonyms: methylN-[({[(3E,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]histidinate
Smiles: COC(=O)C(Cc1c[nH]cn1)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)CO)C)C
STL525860
Synonyms: 1-(4-nitrophenyl)-3-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: [O-][N+](=O)c1ccc(cc1)C1NC(Cc2c1[nH]c1c2cccc1)c1ccccc1
STL525861
Synonyms: methyl2,3-dimethoxy-6-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)benzoate
Smiles: COC(=O)c1c(OC)c(OC)ccc1C1NCCc2c1[nH]c1c2cccc1
STL525862
Synonyms: 4,4'-[(5xi,9xi,13xi,17xi,18xi)-lup-20(29)-ene-3,28-diylbis(oxy)]bis(4-oxobutanoicacid)
Smiles: O=C(OCC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)CCC(=O)O)C(=C)C)CCC(=O)O
STL525863
Synonyms: [2-hydroxy-2,4,6-tris(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl](4-methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C1(C)CC(=CC(C1C(=O)c1ccc(cc1)OC)(O)c1ccc(cc1)OC)c1ccc(cc1)OC
STL525864
Synonyms: N-[({[(3Z,8xi,9xi,14xi,17alpha)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]glycylvaline
Smiles: O=C(NCC(=O)NC(C(=O)O)C(C)C)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@H]2O)C)C
STL525865
Synonyms: (8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(2-phenylethyl)imino]card-20(22)-enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/CCc1ccccc1
STL525866
Synonyms: (8xi,14xi,16alpha,17xi)-9-fluoro-16-methyl-3,20-dioxopregna-1,4-diene-11,21-diyldiacetate
Smiles: CC(=O)OC1C[C@]2(C)C(C(=O)COC(=O)C)[C@@H](CC2C2[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC2)C
STL525867
Synonyms: 4-(4-butoxyphenyl)-4-methylazetidin-2-one
Smiles: CCCCOc1ccc(cc1)C1(C)CC(=O)N1
STL525868
Synonyms: (1S,5R)-3-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: [O-][N+](=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL525869
Synonyms: 1-{[3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromen-8-yl]methyl}-L-proline
Smiles: OC(=O)[C@@H]1CCCN1Cc1c(O)ccc2c1occ(c2=O)c1ccc(cc1)F
STL525870
Synonyms: {dimethyl3,3'-[7,12-bis(1-methoxyethyl)-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~2~N~21~,N~23~]dipropanoatato(2-)}cobalt
Smiles: COC(=O)CCc1c(C)c2=CC3=NC(=Cc4n5[Co]n2c1=CC1=NC(=Cc5c(c4C(OC)C)C)C(=C1CCC(=O)OC)C)C(=C3C(OC)C)C
STL525871
Synonyms: N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)tryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL525872
Synonyms: (10R,13S,17R)-3-hydroxy-10,13-dimethyl-1,2,3,3',4',8,9,10,11,12,13,14,15,16-tetradecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-5'-one
Smiles: OC1CC[C@]2(C(=C1)C=CC1C2CC[C@]2(C1CC[C@]12CCC(=O)O1)C)C
STL525873
Synonyms: (5s,7s)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: OCC(C(C(C1N2C[C@]3(CN1C[C@@](C2)(C3=O)C)C)O)O)O
STL525874
Synonyms: 1-hydroxy-1-[1-(2-methoxybenzyl)-5,5-dimethyl-2-oxo-3-(propan-2-yl)imidazolidin-4-yl]-3-propan-2-ylurea
Smiles: COc1ccccc1CN1C(=O)N(C(C1(C)C)N(C(=O)NC(C)C)O)C(C)C
STL525875
Synonyms: 1-[3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromen-2-yl)prop-2-yn-1-yl]azepane
Smiles: CC1(C)Oc2ccccc2C2C1CCC(O2)(C)C#CCN1CCCCCC1
STL525876
Synonyms: (11bS,13E)-13-(methoxyimino)-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one
Smiles: CO/N=C/1\C[C@@H]2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cccc1
STL525877
Synonyms: 3-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside
Smiles: COC1=C(S[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c2c(C1=O)cccc2
STL525878
Synonyms: 4-methyl-2-oxo-2H-chromen-7-ylN-(tert-butoxycarbonyl)-D-methioninate
Smiles: CSCC[C@H](C(=O)Oc1ccc2c(c1)oc(=O)cc2C)NC(=O)OC(C)(C)C
STL525879
Synonyms: (4aR,6aR)-4a,6a-dimethyl-8-(6-methylheptan-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydrochrysen-2-yl[(4-methyl-2-oxo-3-propyl-2H-chromen-7-yl)oxy]acetate
Smiles: CCCc1c(=O)oc2c(c1C)ccc(c2)OCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC(C2)C(CCCC(C)C)C)C)C1)C
STL525880
Synonyms: 4-hydroxy-3-[2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-2H-pyran-2-one
Smiles: COc1ccccc1C1Sc2ccccc2N=C(C1)c1c(O)cc(oc1=O)C
STL525881
Synonyms: (5alpha,8xi,9xi,14xi,16xi,17xi)-26-(diacetylamino)furostan-3-ylacetate
Smiles: CC(CN(C(=O)C)C(=O)C)CCC1OC2C([C@@H]1C)[C@@]1(C(C2)C2CC[C@@H]3[C@](C2CC1)(C)CCC(C3)OC(=O)C)C
STL525882
Synonyms: 1-butyl-N-(3,4-dimethoxybenzyl)prolinamide
Smiles: CCCCN1CCCC1C(=O)NCc1ccc(c(c1)OC)OC
STL525883
Synonyms: 1-benzyl-5-(2-methoxybenzyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccccc1CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)Cc1ccccc1
STL525884
Synonyms: 3-(4-methoxyphenyl)-4',4',6,6-tetramethyl-3,5,6,7-tetrahydro-2'H,4H,6'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',4,6'-trione
Smiles: COc1ccc(cc1)C1C2=C(OC31C(=O)CC(CC3=O)(C)C)CC(CC2=O)(C)C
STL525885
Synonyms: 1-[(4aR,6aS,13aS)-2,13a-dihydroxy-4a,6a,13-trimethylicosahydro-6bH-indeno[2,1-a]phenanthren-6b-yl]ethanone
Smiles: OC1CC[C@]2([C@@](C1)(O)C(C)CC1C2CC[C@]2(C1CC1C2(CCCC1)C(=O)C)C)C
STL525886
Synonyms: (7S)-7,10-diamino-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Smiles: COc1c(OC)c(OC)cc2c1c1ccc(c(=O)cc1[C@H](CC2)N)N
STL525887
Synonyms: 4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C
STL525888
Synonyms: (4aR,6aR)-4a,6a-dimethyl-8-(6-methylheptan-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydrochrysen-2-yl[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetate
Smiles: CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(=O)c1c2CCC1)C)C
STL525889
Synonyms: 9,10-dimethoxy-6-(2-methoxyphenyl)-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
Smiles: COc1c(OC)ccc2c1C(=O)N1C2N(C(=O)c2c1cccc2)c1ccccc1OC
STL525890
Synonyms: 2-[2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)benzyl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C1NCCc2c1[nH]c1c2cc(cc1)OC
STL525892
Synonyms: (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(4-methylpiperazin-1-yl)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)N1CCN(CC1)C)c(OC)c(c(c2)OC)OC
STL525893
Synonyms: 4-[1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol
Smiles: COc1cc(ccc1O)C(C(Oc1ccccc1OC)C)O
STL525894
Synonyms: (8xi,14xi)-9-fluoro-3,20-dioxopregna-1,4,16-triene-11,21-diyldiacetate
Smiles: CC(=O)OC1C[C@]2(C)C(=CCC2C2[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC2)C(=O)COC(=O)C
STL525895
Synonyms: (7S)-1,2,3-trimethoxy-7-(methylamino)-10-[(pyridin-2-ylmethyl)amino]-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NCc1ccccn1)c(OC)c(c(c2)OC)OC
STL525896
Synonyms: methylN-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]phenylalaninate
Smiles: COC(=O)C(Cc1ccccc1)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C
STL525897
Synonyms: 3,4,6,7,11b,12-hexahydro-1H-isoquino[2,1-a]quinoline-1,13(2H)-dione
Smiles: O=C1CC2N(C3=C1C(=O)CCC3)CCc1c2cccc1
STL525898
Synonyms: (5S)-4-acetyl-11-(propan-2-yl)-3,4,5,6,7,8-hexahydro-1,5-methano-1,4-benzodiazacycloundecine-9,14(2H)-dione
Smiles: CC(c1ccc2c(c1)C(=O)CCC[C@@H]1C(=O)N2CCN1C(=O)C)C
STL525899
Synonyms: methyl(8xi,9xi,14xi)-17,21-bis(acetyloxy)-3,20-dioxopregna-1,4-diene-11-carboxylate
Smiles: COC(=O)C1C[C@@]2(C)C(C3C1[C@@]1(C)C=CC(=O)C=C1CC3)CC[C@]2(OC(=O)C)C(=O)COC(=O)C
STL525900
Synonyms: 1-[3-(1-methyl-5-oxo-2-thioxoimidazolidin-4-yl)propyl]guanidine
Smiles: NC(=N)NCCCC1NC(=S)N(C1=O)C
STL525901
Synonyms: N-[(7S)-1,2,3-trimethoxy-10-(4-methylpiperazin-1-yl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N2CCN(CC2)C)NC(=O)C)cc(c1OC)OC
STL525902
Synonyms: (4aR,6aS,6bR,9aR)-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxole-6b-carbonitrile
Smiles: N#C[C@@]12OC(O[C@@H]1CC1[C@]2(C)CCC2C1CCC1=CC(=O)CC[C@]21C)(C)C
STL525903
Synonyms: alanyltryptophan
Smiles: OC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(N)C
STL525904
Synonyms: (4aR,6aR)-4a,6a-dimethyl-8-(6-methylheptan-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydrochrysen-2-yl[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetate
Smiles: CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(=O)c1c2cccc1)C)C
STL525905
Synonyms: 3-(4-ethoxyphenyl)-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: CCOc1ccc(cc1)n1c(=O)[nH]c(=O)c(c1[O-])C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1
STL525906
Synonyms: 1,4-dioxo-1,4-dihydronaphthalen-2-yl2,3,4-tri-O-acetyl-alpha-L-arabinopyranoside
Smiles: CC(=O)O[C@H]1[C@@H](OC[C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC1=CC(=O)c2c(C1=O)cccc2
STL525907
Synonyms: N~2~-{1-hydroxy-2-[(phenylcarbonyl)amino]ethyl}-D-arginine
Smiles: OC(N[C@@H](C(=O)O)CCCNC(=N)N)CNC(=O)c1ccccc1
STL525908
Synonyms: (8xi,14xi,16alpha)-9-fluoro-17-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-11,21-diyldihexanoate
Smiles: CCCCCC(=O)OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)CC(OC(=O)CCCCC)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F
STL525909
Synonyms: (8xi,9xi,14xi,16xi,17xi,20xi)-28-acetylspirosol-5-en-3-ylhexanoate
Smiles: CCCCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2C(C)C2(O3)CCC(CN2C(=O)C)C)C)C1)C
STL525910
Synonyms: 1,3-dimethyl-7-{2-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cn2
STL525911
Synonyms: methyl(8xi,14xi)-17,21-bis(acetyloxy)-9-fluoro-3,20-dioxopregna-1,4-diene-11-carboxylate
Smiles: COC(=O)C1C[C@@]2(C)C(C3[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC3)CC[C@]2(OC(=O)C)C(=O)COC(=O)C
STL525912
Synonyms: N-[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]alanylnorleucine
Smiles: CCCCC(C(=O)O)NC(=O)C(NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C)C
STL525913
Synonyms: (8xi,9xi,14xi,17xi,20xi)-24,24-diphenylchola-5,23-dien-3-ol
Smiles: OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(C/C=C(/c2ccccc2)\c2ccccc2)C)C)C1)C
STL525914
Synonyms: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)Cl)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
STL525915
Synonyms: (1S)-3-[2-hydroxy-2-(5-methoxy-1H-indol-3-yl)ethyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: COc1ccc2c(c1)c(c[nH]2)C(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O
STL525916
Synonyms: (1R,5R)-3-[2-hydroxy-3-(prop-2-en-1-yloxy)propyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: C=CCOCC(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O
STL525917
Synonyms: (2E)-N-[(1Z)-1-(6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene)ethyl]-3-phenylprop-2-enamide
Smiles: O=C(N/C(=C/1\C(=O)CC2C1C2(C)C)/C)/C=C/c1ccccc1
STL525918
Synonyms: 3-[7-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methyl-2H-pyran-2-one
Smiles: COc1cc(ccc1OC)C1SCCN=C(C1)c1c(O)cc(oc1=O)C
STL525919
Synonyms: 1-hydroxy-1-[1-(4-methoxybenzyl)-5,5-dimethyl-2-oxo-3-(propan-2-yl)imidazolidin-4-yl]-3-propan-2-ylurea
Smiles: COc1ccc(cc1)CN1C(=O)N(C(C1(C)C)N(C(=O)NC(C)C)O)C(C)C
STL525920
Synonyms: 2-[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]ethanol
Smiles: OCCn1nc(c2c1C[C@@H]1[C@H]2C1(C)C)C
STL525921
Synonyms: (8xi,9xi,14xi)-6-chloro-3-hydroxy-20-oxopregna-4,6-dien-17-ylacetate
Smiles: OC1CC[C@]2(C(=C1)C(=CC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C
STL525922
Synonyms: 4a-(propan-2-yloxy)-2,3,4,4a-tetrahydro-1,4-ethanochromeno[3,2-b]pyridine
Smiles: CC(OC12Oc3ccccc3C=C2N2CC[C@@H]1CC2)C
STL525923
Synonyms: 5-(8-hydroxy-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Oc1ccc2c(c1)Oc1c(C2C2C(=O)N(C)C(=O)N(C2=O)C)c(=O)n(c(=O)n1C)C
STL525924
Synonyms: (8xi,9xi,14xi)-17-oxoestra-1,3,5(10)-trien-3-yl3-(piperidin-1-yl)propanoate
Smiles: O=C(Oc1ccc2c(c1)CCC1C2CC[C@]2(C1CCC2=O)C)CCN1CCCCC1
STL525925
Synonyms: S-[(3S,10R,13R)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]2-phenoxypropanethioate(non-preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)C(Oc1ccccc1)C
STL525926
Synonyms: 2-({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
Smiles: O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C)NCCc1ccc(cc1)O
STL525927
Synonyms: 6,7-dimethoxy-3-(4-methoxyphenyl)-1-(trichloromethyl)-1H-isochromene
Smiles: COc1ccc(cc1)C1=Cc2cc(OC)c(cc2C(O1)C(Cl)(Cl)Cl)OC
STL525928
Synonyms: 1,3-dimethyl-5-(naphthalen-1-ylmethyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2
STL525929
Synonyms: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Smiles: COc1cc(ccc1OC)C1(CCCC1)CNC(=O)C1COc2c(O1)cccc2
STL525930
Synonyms: 7-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}-4-methyl-2H-chromen-2-one
Smiles: COc1c2c(CCN(C2C#CCOc2ccc3c(c2)oc(=O)cc3C)C)cc2c1OCO2
STL525931
Synonyms: (7S)-10-{[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]amino}-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NCCCN1CCCc3c1cccc3)c(OC)c(c(c2)OC)OC
STL525932
Synonyms: 1-C-[(5s,7s)-6-hydroxy-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl]pentitol
Smiles: OCC(C(C(C(C1N2C[C@]3(CN1C[C@@](C2)(C3O)C)C)O)O)O)O
STL525933
Synonyms: 6-methoxy-1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])C1NCCc2c1[nH]c1c2cc(cc1)OC
STL525934
Synonyms: (4R)-10-bromo-2,4-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[d]cyclohepta[1,2-b:3,4-b']difuran
Smiles: Brc1ccc2c(c1)c1c(o2)CC[C@](c2c1oc(c2)C)(C)c1ccccc1
STL525935
Synonyms: 1,3-dimethyl-5-[4-(octyloxy)benzyl]-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCCCCCCCOc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
STL525936
Synonyms: 3-[dimethyl(3-{[(3alpha,7alpha,8xi,9xi,12alpha,14xi)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]propane-1-sulfonate
Smiles: O[C@@H]1CC[C@]2(C(C1)C[C@H](C1C2C[C@H](O)[C@]2(C1CC[C@@H]2[C@@H](CCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C)C)C)O)C
STL525937
Synonyms: phenyl2,3,4-tri-O-acetyl-alpha-L-arabinopyranoside
Smiles: CC(=O)O[C@H]1[C@@H](OC[C@@H]([C@@H]1OC(=O)C)OC(=O)C)Oc1ccccc1
STL525938
Synonyms: (8xi,9xi,14xi)-6-methyl-3,20-dioxopregna-4,6-dien-17-ylhexanoate
Smiles: CCCCCC(=O)O[C@@]1(CCC2[C@]1(C)CCC1C2C=C(C2=CC(=O)CC[C@]12C)C)C(=O)C
STL525939
Synonyms: [(1R,9R)-4-(furan-2-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methylphenylcarbamate
Smiles: O=C(Nc1ccccc1)OC[C@]12COC(C([C@@H]2C)C(=CC1C)C)c1ccco1
STL525940
Synonyms: methyl1-(tert-butoxycarbonyl)-D-prolyl-D-leucylglycinate
Smiles: COC(=O)CNC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)CC(C)C
STL525941
Synonyms: N-(3,4-dimethoxybenzyl)-4-oxo-4-[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butanamide
Smiles: COc1ccc(cc1OC)CNC(=O)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL525942
Synonyms: 2-chloro-1,4a,5,7,8,13,13b,13c-octahydro-4H-benzo[1,2]indolizino[8,7-b]indole
Smiles: ClC1=CCC2C(C1)C1N(C2)CCc2c1[nH]c1c2cccc1
STL525943
Synonyms: (8xi,9xi,14xi)-3,20-dioxopregna-1,4,16-triene-11,21-diyldiacetate
Smiles: CC(=O)OC1C[C@]2(C)C(=CCC2C2C1[C@@]1(C)C=CC(=O)C=C1CC2)C(=O)COC(=O)C
STL525944
Synonyms: 6,7-dimethoxy-3-(2-oxobutyl)-2-benzofuran-1(3H)-one
Smiles: CCC(=O)CC1OC(=O)c2c1ccc(c2OC)OC
STL525945
Synonyms: [2-methyl-5-(prop-1-en-2-yl)cyclopent-1-en-1-yl]methylphenylcarbamate
Smiles: O=C(Nc1ccccc1)OCC1=C(C)CCC1C(=C)C
STL525946
Synonyms: (5alpha,8xi,9xi,14xi,16xi,17xi)-12-oxospirostan-3-ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC(=O)[C@]2(C1CC1C2[C@H](C)[C@]2(O1)CCC(CO2)C)C)C
STL525947
Synonyms: 2-[(6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoicacid
Smiles: CCc1cc2c(C)cc(=O)oc2cc1OC(C(=O)O)C
STL525948
Synonyms: (8xi,9xi,14xi)-6-methylidene-3,20-dioxopregn-4-ene-17,21-diyldiacetate
Smiles: CC(=O)O[C@@]1(CCC2[C@]1(C)CCC1C2CC(=C)C2=CC(=O)CC[C@]12C)C(=O)COC(=O)C
STL525949
Synonyms: 6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-ylD-isoleucinate
Smiles: CCCCc1cc2c(cc1OC(=O)[C@@H](C(CC)C)N)occ(c2=O)c1csc(n1)C
STL525950
Synonyms: 4,4a,7,8,9,14,14b,14c-octahydroisoindolo[2',1':1,2]azepino[3,4-b]indol-5(1H)-one
Smiles: O=C1C2CC=CCC2C2N1CCCc1c2[nH]c2c1cccc2
STL525951
Synonyms: {(4R)-4-methyl-2-[4-(propan-2-yloxy)benzyl]-4,5-dihydro-1,3-oxazol-4-yl}methanol
Smiles: OC[C@]1(C)COC(=N1)Cc1ccc(cc1)OC(C)C
STL525952
Synonyms: (2S,4aR,8aS)-1,1,5,5-tetramethyloctahydro-8aH-2,4a-methanonaphthalen-8a-ol
Smiles: CC1(C)[C@@H]2CC[C@@]3([C@]1(O)CCCC3(C)C)C2
STL525953
Synonyms: 2-methyl-3',4'-dihydro-1'H-spiro[cyclohex-2-ene-1,2'-naphthalen]-1'-one
Smiles: CC1=CCCCC21CCc1c(C2=O)cccc1
STL525954
Synonyms: 2-{[2-(4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)ethyl]carbamoyl}benzoicacid
Smiles: O=C(c1ccccc1C(=O)O)NCCC1(CCOC(C1)(C)C)Cc1ccccc1
STL525955
Synonyms: [3-(1-benzofuran-2-yl)oxiran-2-yl][2-(benzyloxy)-5-methoxyphenyl]methanone
Smiles: COc1ccc(c(c1)C(=O)C1OC1c1cc2c(o1)cccc2)OCc1ccccc1
STL525956
Synonyms: 1''-benzyl-1'-hexadecanoyldispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one
Smiles: CCCCCCCCCCCCCCCC(=O)N1CCC2(C31CCCC3)C(=O)N(c1c2cccc1)Cc1ccccc1
STL525957
Synonyms: 4-{[(8xi,9xi,14xi,16xi,17xi)-26-(acetylamino)furosta-5,20(22)-dien-3-yl]oxy}-4-oxobutanoicacid
Smiles: CC(CCC1=C(C)C2C(O1)CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)CCC(=O)O)CNC(=O)C
STL525958
Synonyms: 1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1cccc(c1)C1NCCc2c1[nH]c1c2cccc1
STL525959
Synonyms: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethylN-{[(2-methyl-1-phenylpropan-2-yl)oxy]carbonyl}-L-phenylalaninate
Smiles: O=C(OC(Cc1ccccc1)(C)C)N[C@H](C(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2)Cc1ccccc1
STL525960
Synonyms: 5-(1H-indol-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2OCOc2cc2c1C(N(CC2)C)n1ccc2c1cccc2
STL525961
Synonyms: N-[({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]phenylalanine
Smiles: OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)NC(C(=O)O)Cc3ccccc3)/CC[C@]12C
STL525962
Synonyms: (8xi,9xi,14xi,17E)-17-(2-carbamoylhydrazinylidene)androst-5-en-3-ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC/C/2=N\NC(=O)N)C)C1)C
STL525963
Synonyms: methyl(2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-4H,8H-chromeno[8,7-e][1,3]oxazin-9(10H)-yl]propanoate
Smiles: COC(=O)[C@@H](N1COc2c(C1)c1oc(C)c(c(=O)c1cc2)c1ccc2c(c1)OCCO2)C
STL525964
Synonyms: (5alpha,8xi,9xi,14xi,16alpha)-16-bromo-17-oxoandrostan-3-ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@H](C2=O)Br)C)C
STL525965
Synonyms: (5xi,6alpha,8xi,9beta,17xi,24R)-25-hydroxy-20,24-epoxy-9,19-cyclolanostane-3,6,16-triyltriacetate
Smiles: CC(=O)O[C@H]1CC2[C@]3(C)CC(C([C@@]3(C)CC[C@]32[C@@]2(C1C(C)(C)C(CC2)OC(=O)C)C3)[C@]1(C)CC[C@@H](O1)C(O)(C)C)OC(=O)C
STL525966
Synonyms: (5alpha,8xi,9xi,14xi)-3,17-dioxoandrostane-5-carbonitrile
Smiles: N#C[C@]12CCC3C([C@@]2(C)CCC(=O)C1)CC[C@]1(C3CCC1=O)C
STL525967
Synonyms: N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)phenylalanine
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC(C(=O)O)Cc1ccccc1
STL525968
Synonyms: (10R,13S,16R,17R)-16,17-dihydroxy-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile
Smiles: N#C[C@@]1(O)[C@H](O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC1(C2)OCCO1
STL525969
Synonyms: (5alpha,8xi,9xi,14xi)-3,20-dioxopregnane-17,21-diyldiacetate
Smiles: O=C1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)COC(=O)C)C)C
STL525970
Synonyms: (5alpha,8xi,14xi,16xi,17xi)-spirost-9(11)-en-3-ylpropanoate
Smiles: CCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2=CC[C@]2(C1CC1C2[C@H](C)[C@]2(O1)CCC(CO2)C)C)C
STL525971
Synonyms: 1-benzyl-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-5-(thiophen-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)C(C(=O)N1Cc1ccccc1)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccs1
STL525972
Synonyms: methylN~2~-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]-6-iminolysinate
Smiles: COC(=O)C(NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C)CCCC(=N)N
STL525973
Synonyms: 5-(3,4-dimethoxybenzyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1
STL525974
Synonyms: N'-[(3Z)-1-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene]pyridine-3-carbohydrazide
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)CN1c2ccccc2/C(=N/NC(=O)c2cccnc2)/C1=O
STL525975
Synonyms: (2S,5R,6R)-6-({[(4-ethyl-2,3-dioxopiperazin-1-yl)amino](phenyl)acetyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid
Smiles: CCN1CCN(C(=O)C1=O)NC(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1
STL525976
Synonyms: 1,3-dimethyl-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-5-[4-(propan-2-yloxy)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CC(Oc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C)C
STL525977
Synonyms: (11bR,12R)-9,10-dimethoxy-3,3,12-trimethyl-3,4,6,7,11b,12-hexahydro-1H-isoquino[2,1-a]quinoline-1,13(2H)-dione
Smiles: COc1cc2c(cc1OC)CCN1[C@@H]2[C@@H](C)C(=O)C2=C1CC(CC2=O)(C)C
STL525978
Synonyms: ({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)aceticacid
Smiles: OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)O)/CC[C@]12C
STL525979
Synonyms: phenyl{[(2Z)-2-[(phenylcarbonyl)amino]-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino}aceticacid
Smiles: COc1cc(/C=C(/C(=O)NC(c2ccccc2)C(=O)O)\NC(=O)c2ccccc2)cc(c1OC)OC
STL525980
Synonyms: 1-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
Smiles: NC[C@@H]1CCCc2c1[nH]c1c2cc(cc1)C
STL525981
Synonyms: (8xi,9xi,14xi)-androst-5-ene-3,17-diyldiacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2OC(=O)C)C)C1)C
STL525982
Synonyms: N-{(2E)-2-[(phenylcarbonyl)amino]-3-[3-(propan-2-yloxy)phenyl]prop-2-enoyl}alanine
Smiles: CC(Oc1cccc(c1)/C=C(\C(=O)NC(C(=O)O)C)/NC(=O)c1ccccc1)C
STL525983
Synonyms: [(4R)-2-ethyl-2-methyl-4-(4-methylphenyl)tetrahydro-2H-pyran-4-yl]aceticacid
Smiles: CCC1(C)OCC[C@@](C1)(CC(=O)O)c1ccc(cc1)C
STL525984
Synonyms: (9aS)-9a-{(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-9,9-dimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one
Smiles: O=C1CN2[C@@](N1)(/C=C/C=C/c1ccc(cc1)N(C)C)C(c1c2cccc1)(C)C
STL525985
Synonyms: methyl(5Z)-2,2-dimethyl-5-[(methylamino)methylidene]-4,6-dioxocyclohexanecarboxylate
Smiles: CN/C=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C
STL525986
Synonyms: pentyl2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Smiles: CCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O
STL525987
Synonyms: dimethyl(2S,3aR,8aS)-8-(phenylsulfonyl)-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-1,2(2H)-dicarboxylate
Smiles: COC(=O)N1[C@@H](C[C@H]2[C@@H]1N(c1c2cccc1)S(=O)(=O)c1ccccc1)C(=O)OC
STL525988
Synonyms: N'-[(E)-(4-methoxy-3-{2-[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}phenyl)methylidene]-2-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,
Smiles: COc1ccc(cc1CCN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1)/C=N/NC(=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL525989
Synonyms: (3R)-1-bromo-2,2,3-trimethylcyclopentane-1,3-dicarboxylicacid
Smiles: OC(=O)[C@]1(C)CCC(C1(C)C)(Br)C(=O)O
STL525990
Synonyms: N-(4-methoxy-2-nitrophenyl)-D-arabinofuranosylamine
Smiles: OC[C@H]1OC([C@H]([C@@H]1O)O)Nc1ccc(cc1[N+](=O)[O-])OC
STL525991
Synonyms: N-{(2Z)-2-[(phenylcarbonyl)amino]-3-[4-(propan-2-yloxy)phenyl]prop-2-enoyl}alanine
Smiles: CC(Oc1ccc(cc1)/C=C(/C(=O)NC(C(=O)O)C)\NC(=O)c1ccccc1)C
STL525993
Synonyms: 1-cyclohexyl-5-(4-methoxybenzyl)-5-{[(1R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)CC1(CN2CC3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)C1CCCCC1
STL525994
Synonyms: 3-(2-fluorophenyl)-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1ccccc1F
STL525995
Synonyms: 4-(3,4-dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile
Smiles: N#CC(c1cc(OC)c(c(c1)OC)OC)CC(=O)c1ccc(c(c1)OC)OC
STL525996
Synonyms: N-{(6Z)-6-[(10R,13S)-3-hydroxy-10,13-dimethyl-16-oxo-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-ylidene]-5-oxoheptan-2-yl}acetamide(non-preferredname)
Smiles: OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC(=O)/C/2=C(\C(=O)CCC(NC(=O)C)C)/C)C)C1)C
STL525997
Synonyms: methyl2-acetyl-1-(2,3,4-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: COC(=O)C1Cc2c(C(N1C(=O)C)c1ccc(c(c1OC)OC)OC)[nH]c1c2cccc1
STL525998
Synonyms: 1-[(2xi,3beta,15beta,16xi,20xi)-curan-1-yl]ethanone
Smiles: CCC1CN2CC[C@@]34[C@H]2C[C@H]1C(C)C3N(C(=O)C)c1c4cccc1
STL525999
Synonyms: 6-(benzyloxy)-1-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1
STL526000
Synonyms: (8xi,9xi,14xi,17alpha)-17,21-epoxypregna-4,6-dien-3-ol
Smiles: OC1CC[C@]2(C(=C1)C=CC1C2CC[C@]2(C1CC[C@]12CCO1)C)C
STL526001
Synonyms: methyl2-acetyl-1-(pyridin-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: COC(=O)C1Cc2c(C(N1C(=O)C)c1cccnc1)[nH]c1c2cccc1
STL526002
Synonyms: 2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetamide
Smiles: NC(=O)CC1OC(=O)c2c1cccc2
STL526003
Synonyms: N-[({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]glycyltryptophan
Smiles: O=C(NCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C
STL526004
Synonyms: (5Z)-1-(4-iodophenyl)-5-({[2-(pyridin-3-yl)piperidin-1-yl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Ic1ccc(cc1)N1C(=O)NC(=O)/C(=C/NN2CCCCC2c2cccnc2)/C1=O
STL526005
Synonyms: (2xi,3beta,15beta,16xi,20xi)-curan
Smiles: CCC1CN2CC[C@@]34[C@H]2C[C@H]1C(C)C3Nc1c4cccc1
STL526006
Synonyms: 1-{3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl}-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1COc1ccc(cc1Cl)Cl)C1NCCc2c1[nH]c1c2cc(cc1)OC
STL526007
Synonyms: 2-[2-methoxy-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)benzyl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C1NCCc2c1[nH]c1c2cccc1
STL526008
Synonyms: N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-4-[5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl]benzohydrazide
Smiles: COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)N/N=C/c2ccc(cc2)N(C)C)C)cc2c1OCO2
STL526009
Synonyms: (1R,7aR)-6-chloro-7-(methylamino)hexahydro-1H-pyrrolizin-1-ol
Smiles: CNC1C(Cl)CN2[C@H]1[C@H](O)CC2
STL526010
Synonyms: 1-(3,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1cc(cc(c1OC)OC)C1NCCc2c1[nH]c1c2cccc1
STL526011
Synonyms: (5Z)-1-(4-methylphenyl)-5-({[2-(pyridin-3-yl)piperidin-1-yl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(cc1)N1C(=O)NC(=O)/C(=C/NN2CCCCC2c2cccnc2)/C1=O
STL526012
Synonyms: (5R)-3-(4-hydroxy-3-iodo-5-methoxybenzyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: COc1cc(CN2C[C@H]3CC(C2)c2n(C3)c(=O)ccc2)cc(c1O)I
STL526013
Synonyms: methyl1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: COC(=O)C1NC(c2ccc(c(c2)Cn2nnc3c2cccc3)OC)c2c(C1)c1ccccc1[nH]2
STL526014
Synonyms: 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1Cn1nnc2c1cccc2)C1NCCc2c1[nH]c1c2cc(cc1)OC
STL526015
Synonyms: 1,3-dimethyl-5-(4-methylbenzyl)-5-{[(1R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(cc1)CC1(CN2CC3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
STL526016
Synonyms: 1-(4-methoxyphenyl)-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-5-[4-(propan-2-yl)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1CC2CC(C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)C(C)C
STL526017
Synonyms: 4-[5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl]-N'-[(1E)-2-methylpropylidene]benzohydrazide
Smiles: COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)N/N=C/C(C)C)C)cc2c1OCO2
STL526018
Synonyms: 5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-2,6-dioxo-3-(2,4,6-trimethylphenyl)-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1c(C)cc(cc1C)C
STL526019
Synonyms: N-[4-({2-methoxy-5-[(E)-(2-{[2-(pyridin-3-yl)piperidin-1-yl]acetyl}hydrazinylidene)methyl]benzyl}oxy)phenyl]acetamide
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=N/NC(=O)CN1CCCCC1c1cccnc1
STL526020
Synonyms: (5Z)-1-(2-chlorophenyl)-5-({[2-(pyridin-3-yl)piperidin-1-yl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\NN1CCCCC1c1cccnc1)c1ccccc1Cl
STL526021
Synonyms: 2-(6-methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)phenol
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)c1ccccc1O
STL526022
Synonyms: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl4-methylbenzoate
Smiles: Cc1ccc(cc1)C(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL526023
Synonyms: 1-hydroxy-2-{[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}anthracene-9,10-dione
Smiles: O=C(c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526024
Synonyms: 5-[(5-bromothiophen-2-yl)methyl]-1,3-dimethyl-5-{[(1R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Brc1ccc(s1)CC1(CN2CC3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
STL526025
Synonyms: 3-(4-methoxyphenyl)-4-oxo-7-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-4H-chromen-5-ylacetate
Smiles: COc1ccc(cc1)c1coc2c(c1=O)c(OC(=O)C)cc(c2)O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
STL526026
Synonyms: (4aR,13bS,14aR)-1-(prop-2-en-1-yl)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-5,14-ethanoindolo[2',3':3,4]pyrido[1,2-g][1,6]naphthyridine
Smiles: C=CCN1CCC[C@H]2[C@@H]1C1CCC2N2[C@@H]1c1[nH]c3c(c1CC2)cccc3
STL526027
Synonyms: (8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-{[2-(4-hydroxyphenyl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(cc1)O
STL526028
Synonyms: 4-[5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl]-N'-[(E)-(4-nitrophenyl)methylidene]benzohydrazide
Smiles: COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)N/N=C/c2ccc(cc2)[N+](=O)[O-])C)cc2c1OCO2
STL526029
Synonyms: (1S,5S)-3-{[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: CCOc1ccc(cc1c1[nH]c(=O)c2c(n1)c(CCC)nn2C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526030
Synonyms: (1R,5S)-3-(benzo[cd]indol-2-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)C1=Nc2c3c1cccc3ccc2
STL526031
Synonyms: 1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)c1cc(Br)ccc1OCc1ccccn1
STL526032
Synonyms: 2-[(3S)-3-methylpiperidin-1-yl]-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: C[C@H]1CCCN(C1)CC(=O)N1CCc2c(C1)c1ccccc1[nH]2
STL526033
Synonyms: 1-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1COc1cccc(c1C)C)C1NCCc2c1[nH]c1c2cc(cc1)OC
STL526034
Synonyms: (1S)-3-{2-methoxy-5-[(1E)-3-oxo-3-(thiophen-2-yl)prop-1-en-1-yl]benzyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: COc1ccc(cc1CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)/C=C/C(=O)c1cccs1
STL526035
Synonyms: ethyl(3alpha,7alpha,8xi,12alpha,17xi,20S)-3,7,12-trihydroxycholan-24-oate
Smiles: CCOC(=O)CC[C@@H](C1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1C2[C@H](O)CC2[C@]1(C)CC[C@H](C2)O)C
STL526036
Synonyms: 5-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-1,3-dimethyl-5-[4-(propan-2-yloxy)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)CC1(Cc2ccc(cc2)OC(C)C)C(=O)N(C)C(=O)N(C1=O)C
STL526037
Synonyms: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl(diphenoxyphosphoryl)carbamate
Smiles: O=C(NP(=O)(Oc1ccccc1)Oc1ccccc1)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL526038
Synonyms: 1-(4-ethoxyphenyl)-5-(4-methylbenzyl)-5-{[(1R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1CC2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)C
STL526039
Synonyms: N'-[(E)-(4-chlorophenyl)methylidene]-4-[5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl]benzohydrazide
Smiles: COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)N/N=C/c2ccc(cc2)Cl)C)cc2c1OCO2
STL526040
Synonyms: glycylasparagine
Smiles: NCC(=O)NC(C(=O)O)CC(=O)N
STL526041
Synonyms: (8R,8aS,13aR)-8-(2,2-dimethylpropanoyl)-8,8a,9,10,13a,13b-hexahydro-9,12-epoxyoxepino[4',5':3,4]pyrrolo[2,1-a]isoquinolin-13(12H)-one
Smiles: O=C1C2OCC(O2)[C@H]2[C@@H]1C1N([C@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2
STL526043
Synonyms: (3beta)-cholest-5-en-3-yl2-(trimethylammonio)ethylphosphate
Smiles: CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OP(=O)(OCC[N+](C)(C)C)[O-])C)C
STL526044
Synonyms: (3R,5S)-1,6-bis(2,4-dimethoxyphenyl)dispiro[2.1.2.3]decan-4-one
Smiles: COc1cc(OC)ccc1C1C[C@@]21CCC[C@]1(C2=O)CC1c1ccc(cc1OC)OC
STL526045
Synonyms: (3aR,6R,9aR,11aR)-2-(4-methoxyphenyl)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylicacid
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)O
STL526046
Synonyms: 6-hydroxy-9-methyl-3-[(2-methylpropoxy)methyl]-2-oxaspiro[4.5]dec-6-ene-1,8-dione
Smiles: CC(COCC1OC(=O)C2(C1)CC(C)C(=O)C=C2O)C
STL526047
Synonyms: 4-{[(5xi,9xi,13xi,17xi,18xi)-28-(acetyloxy)lup-20(29)-en-3-yl]oxy}-4-oxobutanoicacid
Smiles: O=C(OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)COC(=O)C)C)C)CCC(=O)O
STL526048
Synonyms: (3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-{2-[(3-methylphenyl)amino]-2-oxoethyl}tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: O=C(Nc1cccc(c1)C)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
STL526049
Synonyms: 1-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Smiles: COc1cc2c(cc1O)CCN([C@H]2C)C(=O)CSc1nncn1C
STL526050
Synonyms: (8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-{[2-(3,4-dihydroxyphenyl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(c(c1)O)O
STL526051
Synonyms: 1-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
Smiles: COc1cc2c(cc1O)CCN([C@H]2C)C(=O)CSc1nnc(s1)C
STL526052
Synonyms: 2-cyclohexyl-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(C2CCCCC2)C(=O)C2N1C(c1ccccc1)c1c(C2)c2c([nH]1)cccc2
STL526053
Synonyms: (2E,5xi,9xi,13xi,17xi,18xi)-2-(2-methoxybenzylidene)-3-oxolup-20(29)-en-28-oicacid
Smiles: COc1ccccc1/C=C/1\C[C@@]2(C)C(C(C1=O)(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)C(=O)O)C
STL526054
Synonyms: 3-(1-{2-[(4-tert-butylphenyl)sulfonyl]ethyl}piperidin-2-yl)pyridine
Smiles: O=S(=O)(c1ccc(cc1)C(C)(C)C)CCN1CCCCC1c1cccnc1
STL526055
Synonyms: (8xi,9xi,14xi)-3-methoxy-17-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethynyl]estra-1,3,5(10)-trien-17-ol
Smiles: COc1c2c(CCN(C2C#CC2(O)CCC3[C@]2(C)CCC2C3CCc3c2ccc(c3)OC)C)cc2c1OCO2
STL526056
Synonyms: 8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCC(Nc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C)C
STL526057
Synonyms: (3aR,5aR,8aS,8bR)-N-{2-[(4-bromophenyl)amino]-2-oxoethyl}-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: O=C(Nc1ccc(cc1)Br)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
STL526058
Synonyms: Nalpha-(ethoxycarbonyl)-N-[2-(1H-indol-3-yl)ethyl]-D-tryptophanamide
Smiles: CCOC(=O)N[C@@H](C(=O)NCCc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2
STL526059
Synonyms: (8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(pyridin-4-ylmethyl)imino]card-20(22)-enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1ccncc1)CCC(C2)O)O)O
STL526061
Synonyms: 1-(4-bromophenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccc(cc2)Br)C)cc2c1OCO2
STL526063
Synonyms: 4-(4-hydroxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-one
Smiles: COc1c2c(CCN(C2CC(=O)CCc2ccc(cc2)O)C)cc2c1OCO2
STL526064
Synonyms: 1-[(benzyloxy)carbonyl]prolylglycyltryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CNC(=O)C1CCCN1C(=O)OCc1ccccc1
STL526066
Synonyms: [(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl](5-methylfuran-2-yl)methanone
Smiles: COc1cc2c(cc1O)CCN([C@H]2C)C(=O)c1ccc(o1)C
STL526067
Synonyms: (2Z,5xi,9xi,13xi,17xi,18xi)-2-(3-iodobenzylidene)-3-oxolup-20(29)-en-28-oicacid
Smiles: Ic1cccc(c1)/C=C\1/C[C@@]2(C)C(C(C1=O)(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)C(=O)O)C
STL526068
Synonyms: 5-methoxy-3-{2-[(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)amino]ethyl}-1H-indole-2-carboxylicacid
Smiles: COc1ccc2c(c1)c(CCNC(=O)CCC(=O)OC1CCC3[C@]1(C)CCC1C3CCC3=CC(=O)CC[C@]13C)c([nH]2)C(=O)O
STL526069
Synonyms: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl5-[(4-methoxybenzyl)amino]-5-oxopentanoate
Smiles: COc1ccc(cc1)CNC(=O)CCCC(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL526070
Synonyms: (3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-ylcyclohexanecarboxylate
Smiles: O=C(C1CCCCC1)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1[C@H](C)C(=O)O3)C(=CC2=O)C)C
STL526071
Synonyms: (5alpha,8xi,9xi,14xi,16alpha)-16,17-epoxypregnane-3,20-dione
Smiles: O=C1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@@H]1[C@]2(O1)C(=O)C)C)C
STL526072
Synonyms: 2-({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-(pyridin-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccccn1)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C
STL526073
Synonyms: hexyl2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate
Smiles: CCCCCCOC(=O)c1ccccc1NC1OC(=O)c2c1ccc(c2OC)OC
STL526074
Synonyms: (1Z)-1-(4-fluorophenyl)-N-hydroxy-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanimine
Smiles: O/N=C(\c1ccc(cc1)F)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526075
Synonyms: [(4,5-dimethoxy-7,11,12-trioxo-1,2,2b,8,9,9a,9b,10,11,12-decahydro-7H-2a,10-methano-6b,12a-diazacyclobuta[4,5]cycloocta[1,2,3-jk]fluoren-9-yl)oxy]aceticacid
Smiles: COc1cc2N3C(=O)CC(C4C3C(c2cc1OC)C12CCN2C(=O)C(=O)C4C1)OCC(=O)O
STL526076
Synonyms: (8xi,9xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[2-(2-hydroxyethyl)hydrazinylidene]card-20(22)-enolide
Smiles: OCCN/N=C/[C@@]12CCC(CC2(O)CCC2C1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O
STL526077
Synonyms: (8xi,9xi,14xi,17xi)-3-hydroxy-21-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pregn-5-en-20-one
Smiles: COc1c2c(CCN(C2CC(=O)C2CCC3[C@]2(C)CCC2C3CC=C3[C@]2(C)CCC(C3)O)C)cc2c1OCO2
STL526080
Synonyms: (5E)-1-(4-ethoxyphenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C\NCC2N(C)CCc3c2c(OC)c2c(c3)OCO2)/C1=O
STL526081
Synonyms: 6,7,8,9,9a,10,11,12,13,14-decahydro-2H-benzimidazo[2,1-e]acridin-2-one
Smiles: O=C1C=CC2=NC34N(C2=C1)C1=C(CCCC1)CC4CCCC3
STL526082
Synonyms: 3,3,6-trimethyl-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-1-ol
Smiles: OC1CC(C)(C)Cc2c1c1c(c(n2)C)[nH]c2c1cccc2
STL526084
Synonyms: 3-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]propanenitrile
Smiles: C[C@@H]1N(CCC#N)CCc2c1cc(OC)c(c2)OC
STL526085
Synonyms: (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
Smiles: COc1cc(C)c(c(c1C)C)/C=C/C(=O)CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526086
Synonyms: (8xi,14xi,17xi,19E)-19-{[2-(3,4-dimethoxyphenyl)ethyl]imino}-3,5,14-trihydroxycard-20(22)-enolide
Smiles: COc1cc(CC/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)ccc1OC
STL526087
Synonyms: (2E)-2-[(5alpha,8xi,9xi,14xi,17xi,20E)-3-hydroxypregnan-20-ylidene]hydrazinecarbothioamide
Smiles: OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2/C(=N/NC(=S)N)/C)C)C
STL526088
Synonyms: [4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl](morpholin-4-yl)methanone
Smiles: Brc1ccc(cc1)C1Nc2c(C3C1CC=C3)cccc2C(=O)N1CCOCC1
STL526089
Synonyms: 2-propyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: CCCN1C(=O)C2N(C1=O)Cc1c(C2)c2ccccc2[nH]1
STL526090
Synonyms: 5-(1H-indol-3-ylmethyl)-3-phenylimidazolidine-2,4-dione
Smiles: O=C1NC(C(=O)N1c1ccccc1)Cc1c[nH]c2c1cccc2
STL526092
Synonyms: (1S,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: COc1ccc(cc1OC)CCNC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526094
Synonyms: (8xi,14xi,17xi,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-(prop-2-en-1-ylimino)card-20(22)-enolide
Smiles: C=CC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)OC1CC(O)C(C(O1)C)O
STL526095
Synonyms: (8xi,9xi,14xi)-17-oxoestra-1,3,5(10)-trien-3-yl3-(3,3-dimethylpiperidin-1-yl)propanoate
Smiles: O=C(Oc1ccc2c(c1)CCC1C2CC[C@]2(C1CCC2=O)C)CCN1CCCC(C1)(C)C
STL526096
Synonyms: (8xi,14xi,17xi,19E)-19-({3-[bis(2-hydroxyethyl)amino]propyl}imino)-3,5,14-trihydroxycard-20(22)-enolide
Smiles: OCCN(CCO)CCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O
STL526097
Synonyms: (8xi,14xi,17xi,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-[(2-phenylethyl)imino]card-20(22)-enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/CCc1ccccc1)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O
STL526098
Synonyms: (5alpha,8xi,9xi,14xi)-17-oxoandrostan-3-yl3-(3,3-dimethylpiperidin-1-yl)propanoate
Smiles: O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C)CCN1CCCC(C1)(C)C
STL526099
Synonyms: (3S,11E)-14,16-dihydroxy-3-methyl-7-[(2-phenylethyl)amino]-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one
Smiles: C[C@H]1CCCC(CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O)NCCc1ccccc1
STL526100
Synonyms: (3aR,5aR,8aS,8bR)-N-benzyl-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: O=C(C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)NCc1ccccc1
STL526101
Synonyms: (13E,15S)-N-[4-(furan-2-yl)butan-2-yl]-15-hydroxy-9-oxoprost-13-en-1-amide
Smiles: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NC(CCc1ccco1)C)O
STL526103
Synonyms: 5-(2,4-dimethoxybenzyl)-1-methyl-5-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(c(c1)OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)C
STL526104
Synonyms: (5xi,9xi,13xi,17xi,18xi)-lup-20(29)-ene-3,28-diylbis(4-methylbenzenesulfonate)
Smiles: Cc1ccc(cc1)S(=O)(=O)OCC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OS(=O)(=O)c1ccc(cc1)C)C(=C)C
STL526105
Synonyms: 2-ammonio-4-oxo-4-(3,4,5-trichlorothiophen-2-yl)butanoate
Smiles: [NH3+]C(C(=O)[O-])CC(=O)c1sc(c(c1Cl)Cl)Cl
STL526106
Synonyms: [(1R,3S)-3-(7-methoxy-2-methyl-1H-indol-3-yl)-2,2-dimethylcyclopropyl]acetonitrile
Smiles: COc1cccc2c1[nH]c(c2[C@H]1[C@H](C1(C)C)CC#N)C
STL526107
Synonyms: ethylN-[(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yloxy)carbonyl]glycinate
Smiles: CCOC(=O)CNC(=O)OC1CCN2C1=Nc1ccccc1C2
STL526108
Synonyms: (1S,5R)-N-(4-methoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: COc1ccc(cc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526109
Synonyms: [4-(2-methylpropoxy)phenyl](6',7',10,11-tetramethoxyemetan-2'-yl)methanone
Smiles: CCC1CN2CCc3c(C2CC1CC1c2cc(OC)c(cc2CCN1C(=O)c1ccc(cc1)OCC(C)C)OC)cc(c(c3)OC)OC
STL526110
Synonyms: (3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: O=C(Nc1nccs1)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
STL526111
Synonyms: 3,4,6-tri-O-acetyl-2-({[4-(benzyloxy)phenyl]carbonyl}amino)-2-deoxy-1-O-(phenylacetyl)-D-glucopyranose
Smiles: CC(=O)OC[C@H]1OC(OC(=O)Cc2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)c1ccc(cc1)OCc1ccccc1
STL526112
Synonyms: (8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl4-[(furan-2-ylmethyl)amino]-4-oxobutanoate
Smiles: O=C(NCc1ccco1)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL526113
Synonyms: (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Smiles: COc1c2c(CCN(C2CC(=O)/C(=C/C2C(=CCCC2(C)C)C)/C)C)cc2c1OCO2
STL526114
Synonyms: 9-methyl-1,2,3,5,6,7-hexahydro[1,4]diazepino[3,2,1-jk]carbazol-6-ol
Smiles: OC1CN=C2c3n(C1)c1c(C)cccc1c3CCC2
STL526115
Synonyms: O-benzyl-N-(tert-butoxycarbonyl)tyrosylalanylnorleucine
Smiles: CCCCC(C(=O)O)NC(=O)C(NC(=O)C(Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C)C
STL526116
Synonyms: (8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-(prop-2-en-1-ylimino)card-20(22)-enolide
Smiles: C=CC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O
STL526117
Synonyms: 2-(8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indol]-1'(3'H)-yl)ethyl2-methylprop-2-enoate
Smiles: COc1cccc2c1OC1(C=C2)N(CCOC(=O)C(=C)C)c2c(C1(C)C)cccc2
STL526118
Synonyms: 2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
Smiles: COc1ccc(cc1COc1cc(C)c(cc1C(C)C)Cl)C1CC(=O)c2c(O1)cccc2
STL526119
Synonyms: (8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-oxo-4-[(pyridin-3-ylmethyl)amino]butanoate
Smiles: O=C(NCc1cccnc1)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
STL526120
Synonyms: (8xi,14xi,17xi,19E)-19-[(furan-2-ylmethyl)imino]-3,5,14-trihydroxycard-20(22)-enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1ccco1)CCC(C2)O)O)O
STL526121
Synonyms: (8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(3-hydroxypropyl)imino]card-20(22)-enolide
Smiles: OCCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O
STL526122
Synonyms: 3,4,6-tri-O-acetyl-2-({[4-(acetyloxy)phenyl]carbonyl}amino)-2-deoxy-1-O-(phenylacetyl)-D-glucopyranose
Smiles: CC(=O)O[C@@H]1[C@@H](NC(=O)c2ccc(cc2)OC(=O)C)C(OC(=O)Cc2ccccc2)O[C@@H]([C@H]1OC(=O)C)COC(=O)C
STL526123
Synonyms: methyl(1S,4aR,5S)-5-[2-(2-formylfuran-3-yl)ethyl]-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1C=O)C
STL526124
Synonyms: (1R,5R)-3-(5H-pyrimido[5,4-b]indol-4-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)c1ncnc2c1[nH]c1c2cccc1
STL526126
Synonyms: methyl(1S,4aR,5S)-5-[2-(2-{[(3-methoxy-3-oxopropyl)amino]methyl}furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Smiles: COC(=O)CCNCc1occc1CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(=O)OC
STL526127
Synonyms: (8xi,10xi,14xi,17xi,19E)-19-[(2,2-dimethoxyethyl)imino]-3,5,14-trihydroxycard-20(22)-enolide
Smiles: COC(C/N=C/C12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O)OC
STL526128
Synonyms: (1Z)-N-hydroxy-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(pyridin-2-yl)ethanimine
Smiles: O/N=C(\c1ccccn1)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526129
Synonyms: (3aR,6R,9aR,11aR)-2-(4-hydroxyphenyl)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylicacid
Smiles: Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)O
STL526130
Synonyms: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCCO3)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C
STL526131
Synonyms: N-[(benzyloxy)carbonyl]-L-tryptophyl-N~6~-(tert-butoxycarbonyl)-L-lysine
Smiles: O=C(N[C@H](C(=O)N[C@H](C(=O)O)CCCCNC(=O)OC(C)(C)C)Cc1c[nH]c2c1cccc2)OCc1ccccc1
STL526132
Synonyms: (1S,5R)-N-(2-methoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: COc1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526133
Synonyms: (1S,5R)-N-benzyl-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NCc1ccccc1
STL526134
Synonyms: 4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-yn-2-ol
Smiles: COc1c2c(CCN(C2C#CC(O)C)C)cc2c1OCO2
STL526135
Synonyms: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl[3-(pentafluorophenoxy)phenyl]carbamate
Smiles: O=C(OC1CCN2C1=Nc1ccccc1C2)Nc1cccc(c1)Oc1c(F)c(F)c(c(c1F)F)F
STL526137
Synonyms: (8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(1-hydroxybutan-2-yl)imino]card-20(22)-enolide
Smiles: CCC(/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O)CO
STL526138
Synonyms: (1Z)-1-(2,4-dimethoxyphenyl)-N-hydroxy-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanimine
Smiles: O/N=C(\c1ccc(cc1OC)OC)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526139
Synonyms: 3-(furan-2-yl)-3-(2-methoxyphenyl)propanimidicacid
Smiles: COc1ccccc1C(c1ccco1)CC(=N)O
STL526140
Synonyms: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1,7-dimethyl-1,7-dihydro-6H-purin-6-one
Smiles: OC(COc1nc2ncn(c2c(=O)n1C)C)CNC(C)C
STL526141
Synonyms: [(1R,3S)-2,2-dimethyl-3-(2-methyl-1H-pyrrolo[3,2-h]quinolin-3-yl)cyclopropyl]acetonitrile
Smiles: N#CC[C@@H]1[C@@H](C1(C)C)c1c(C)[nH]c2c1ccc1c2nccc1
STL526142
Synonyms: N-[(4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl]leucine
Smiles: CCc1cc(=O)oc2c1ccc(c2CNC(C(=O)O)CC(C)C)O
STL526143
Synonyms: (8xi,14xi,17xi,19E)-19-{[2-(cyclohex-1-en-1-yl)ethyl]imino}-3,5,14-trihydroxycard-20(22)-enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/CCC1=CCCCC1
STL526145
Synonyms: N-{[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine
Smiles: CC[C@@H]([C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C
STL526146
Synonyms: 3-{[(2R,3R,4R)-2,3,4,5-tetrakis(acetyloxy)pentanoyl]amino}benzoicacid(non-preferredname)
Smiles: CC(=O)O[C@H]([C@@H]([C@H](OC(=O)C)COC(=O)C)OC(=O)C)C(=O)Nc1cccc(c1)C(=O)O
STL526147
Synonyms: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl(2-methoxyphenyl)carbamate
Smiles: COc1ccccc1NC(=O)OC1CCN2C1=Nc1ccccc1C2
STL526148
Synonyms: docosane-7,16-diol
Smiles: CCCCCCC(CCCCCCCCC(CCCCCC)O)O
STL526149
Synonyms: (3aS,6R,7aR)-2-(4-methoxyphenyl)-3-(2-methylprop-2-en-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@]3(C1CC(=C)C)C=C[C@@H](C2C(=O)O)O3
STL526150
Synonyms: 1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-phenylthiourea
Smiles: O[C@@H]([C@@H](N(C(=S)Nc1ccccc1)C)C)c1ccccc1
STL526153
Synonyms: N-[3-(furan-2-yl)-3-phenylpropyl]-N-[4-(propan-2-yloxy)benzyl]acetamide
Smiles: CC(Oc1ccc(cc1)CN(C(=O)C)CCC(c1ccco1)c1ccccc1)C
STL526154
Synonyms: (2Z,2'Z)-2,2'-(3Z,8xi,9xi,14xi,17Z)-androst-4-ene-3,17-diylidenedihydrazinecarboxamide
Smiles: NC(=O)N/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC/C/2=N/NC(=O)N)C)C
STL526155
Synonyms: (8xi,9xi,14xi)-20-oxopregna-5,16-dien-3-yl3-(3,3-dimethylpiperidin-1-yl)propanoate
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC=C2C(=O)C)C)C1)C)CCN1CCCC(C1)(C)C
STL526157
Synonyms: methyl(1S,4aR,5S)-5-(2-{2-[(benzylamino)methyl]furan-3-yl}ethyl)-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNCc1ccccc1)C
STL526158
Synonyms: ethyl2-[(8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yloxy]-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)c1ccc(cc1)C)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(CCCC(C)C)C)C)C1)C
STL526159
Synonyms: (3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-[2-oxo-2-(phenylamino)ethyl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: O=C(Nc1ccccc1)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
STL526160
Synonyms: (8xi,9xi,14xi,17alpha)-17-hydroxy-3,11-dioxoandrost-4-ene-17-carbonitrile
Smiles: N#C[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C
STL526161
Synonyms: 6,7-dimethoxy-2-methyl-1-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CCN(C(c2cc1OC)c1ccc(c(c1OC)OC)OC)C
STL526163
Synonyms: 1-(3,4-dimethoxyphenyl)-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)propan-2-one
Smiles: COc1cc(ccc1OC)CC(=O)CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526164
Synonyms: (5alpha,8xi,9xi,14xi)-3-hydroxy-21-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pregn-16-en-20-one
Smiles: COc1c2c(CCN(C2CC(=O)C2=CCC3[C@]2(C)CCC2C3CC[C@@H]3[C@]2(C)CCC(C3)O)C)cc2c1OCO2
STL526165
Synonyms: (8xi,14xi,17xi,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-19-{[2-(4-fluorophenyl)ethyl]imino}-5,14-dihydroxycard-20(22)-enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/CCc1ccc(cc1)F)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O
STL526166
Synonyms: 6-(3,4-dimethoxyphenyl)-3,3,5-trimethyldihydro-2H-pyran-2,4(3H)-dione
Smiles: COc1ccc(cc1OC)C1OC(=O)C(C(=O)C1C)(C)C
STL526168
Synonyms: (15bS,17bR)-12,15,15b,17b-tetramethyl-2,3,4,6,6a,6b,7,7a,11,12,13,14,14a,15,15a,15b,16,17,17a,17b-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-f]pyrido[1,2-c][1,3]oxazepin-3-ol
Smiles: CC1CCC2N(C1)COC1C(C2C)[C@@]2(C)CCC3C(C2C1)CC=C1[C@]3(C)CCC(C1)O
STL526169
Synonyms: methyl3-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCc3c(C1)cc(c(c3)OC)OC)C)cccc2
STL526170
Synonyms: 9-ethyl-8-(1-hydroxyethyl)-4-methyl-2H-furo[2,3-h]chromen-2-one
Smiles: CCc1c(oc2c1c1oc(=O)cc(c1cc2)C)C(O)C
STL526171
Synonyms: 3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(4-methoxyphenyl)propanamide
Smiles: COc1ccc(cc1)NC(=O)CC(c1ccccc1OC)c1ccco1
STL526172
Synonyms: (3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-{1-[(4-methylphenyl)amino]-1-oxopropan-2-yl}tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: Cc1ccc(cc1)NC(=O)C(NC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)C
STL526173
Synonyms: (2Z)-2-[(8xi,9xi,14xi,17Z)-3-hydroxyandrost-5-en-17-ylidene]hydrazinecarbothioamide
Smiles: OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC/C/2=N/NC(=S)N)C)C1)C
STL526174
Synonyms: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1cc2OCOc2cc1C(=O)C
STL526175
Synonyms: 2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol
Smiles: OCCNC1CCCc2c1[nH]c1c2cc(cc1)C
STL526177
Synonyms: (3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-ylbutanoate
Smiles: CCCC(=O)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1[C@H](C)C(=O)O3)C(=CC2=O)C)C
STL526178
Synonyms: (8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl4-oxo-4-[(pyridin-3-ylmethyl)amino]butanoate
Smiles: O=C(NCc1cccnc1)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL526180
Synonyms: 1-[(benzyloxy)carbonyl]prolylalanyl-S-methylcysteine
Smiles: CSCC(C(=O)O)NC(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C
STL526181
Synonyms: 6-phenyl-2-propyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCN1CC(=O)N2C(C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL526182
Synonyms: N-(4-methoxyphenyl)-2-(pyridin-3-yl)piperidine-1-carboxamide
Smiles: COc1ccc(cc1)NC(=O)N1CCCCC1c1cccnc1
STL526183
Synonyms: (8xi,14xi,17xi,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-[(pyridin-2-ylmethyl)imino]card-20(22)-enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1ccccn1)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O
STL526186
Synonyms: (8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(1-hydroxy-2-methylpropan-2-yl)imino]card-20(22)-enolide
Smiles: OCC(/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O)(C)C
STL526188
Synonyms: (3aR,6R,9aR,11aR)-2-(3-hydroxyphenyl)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylicacid
Smiles: Oc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)C13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)O
STL526189
Synonyms: (8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl4-oxo-4-[(thiophen-2-ylmethyl)amino]butanoate
Smiles: O=C(NCc1cccs1)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL526190
Synonyms: 6,7-dimethoxy-3-[(2-methoxydibenzo[b,d]furan-3-yl)amino]-2-benzofuran-1(3H)-one
Smiles: COc1cc2c(cc1NC1OC(=O)c3c1ccc(c3OC)OC)oc1c2cccc1
STL526191
Synonyms: methylN-({(3R)-1-[(4-methylphenyl)sulfonyl]piperidin-3-yl}carbonyl)-D-valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C
STL526192
Synonyms: (8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3-oxoandrost-4-ene-17-carbonitrile
Smiles: N#C[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
STL526193
Synonyms: (1R,4S)-9,11-dimethyl-1-(4-methylphenyl)-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a]indole
Smiles: Cc1ccc(cc1)[C@@]12OC[C@H](O1)Cn1c2c(C)c2c1ccc(c2)C
STL526194
Synonyms: (3aS,6R,7aR)-2-(2-methylphenyl)-1-oxo-3-(prop-2-en-1-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: C=CCC1N(C(=O)[C@H]2[C@]31C=C[C@H](O3)C2C(=O)O)c1ccccc1C
STL526195
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]tryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C
STL526196
Synonyms: ethyl(3aS,6R,7aR)-1-oxo-2-phenyl-3-(prop-2-en-1-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Smiles: C=CCC1N(c2ccccc2)C(=O)[C@H]2[C@]31C=C[C@H](O3)C2C(=O)OCC
STL526197
Synonyms: N-(2,2-dimethoxyethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
Smiles: COC(CNC1CCCc2c1[nH]c1c2cc(cc1)C)OC
STL526198
Synonyms: 5-{4-[(3,4-dichlorobenzyl)oxy]-3-ethoxybenzyl}-1,3-dimethyl-5-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1cc(ccc1OCc1ccc(c(c1)Cl)Cl)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
STL526199
Synonyms: (1S)-3-[2-oxo-2-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(N1CCc2c(C1)c1ccccc1[nH]2)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526200
Synonyms: 2-[2-(4-bromophenyl)-2-oxoethyl]1-(2-methylpropyl)(2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
Smiles: CC(COC(=O)N1C[C@@H](C[C@H]1C(=O)OCC(=O)c1ccc(cc1)Br)O)C
STL526201
Synonyms: (2Z)-N-hydroxy-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methylbutan-2-imine
Smiles: O/N=C(\C(C)C)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526202
Synonyms: 2-(3,4-dimethoxyphenyl)-N-[5-(2,4-dimethoxyphenyl)pentan-2-yl]acetamide
Smiles: COc1ccc(c(c1)OC)CCCC(NC(=O)Cc1ccc(c(c1)OC)OC)C
STL526203
Synonyms: 6-imino-1-methyl-N-(1-phenylpropan-2-yl)-6,7-dihydro-1H-purin-2-amine
Smiles: CC(Nc1nc2nc[nH]c2c(=N)n1C)Cc1ccccc1
STL526204
Synonyms: benzyl(N'-[(benzyloxy)carbonyl]-N-{(4S)-4-{[(benzyloxy)carbonyl]amino}-5-[(4-methyl-2-oxo-2H-chromen-7-yl)amino]-5-oxopentyl}carbamimidoyl)carbamate(non-preferredname)
Smiles: O=C(N/C(=N\C(=O)OCc1ccccc1)/NCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)OCc1ccccc1)OCc1ccccc1
STL526205
Synonyms: 2,3-dimethoxy-6-[2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)C
STL526206
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol
Smiles: COc1c2c(CCN(C2CC(c2ccc3c(c2)OCO3)O)C)cc2c1OCO2
STL526207
Synonyms: 6-phenyl-2-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CCc2ccccc2)CC(=O)N2C1Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL526208
Synonyms: 3-[(3,4-dimethoxyphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
Smiles: COc1ccc(cc1OC)NC1OC(=O)c2c1ccc(c2OC)OC
STL526209
Synonyms: (3E,5xi,9xi,13xi,17xi,18xi)-3-(hydroxyimino)lup-20(29)-en-28-ylacetate
Smiles: O/N=C/1\CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)COC(=O)C)C)C
STL526210
Synonyms: (13E,15R)-15-hydroxy-9-oxo-N-(2-phenylethyl)prost-13-en-1-amide
Smiles: CCCCC[C@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCc1ccccc1)O
STL526211
Synonyms: (3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-{2-[(4-nitrophenyl)amino]-2-oxoethyl}tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
STL526212
Synonyms: 1-[3-(2-aminopropyl)-1H-indol-5-yl]ethanone
Smiles: CC(Cc1c[nH]c2c1cc(cc2)C(=O)C)N
STL526213
Synonyms: (1Z)-1-(furan-2-yl)-N-hydroxy-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanimine
Smiles: O/N=C(\c1ccco1)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526214
Synonyms: (3beta,19Z)-2,16-didehydrocur-19-en-17-nitrile
Smiles: C/C=C/1\CN2CCC34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C#N
STL526215
Synonyms: (2-chlorophenyl)[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methanone
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)c1ccccc1Cl
STL526216
Synonyms: ethyl(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxylate
Smiles: CCOC(=O)N1c2ccc(cc2[C@H]2[C@@H]1CCN(C2)C)C
STL526217
Synonyms: 4-[(5xi,9xi,13xi,17xi,18xi)-19,28-epoxyoleanan-3-yloxy]-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC1)C(C)(C)CC3)C)C
STL526218
Synonyms: methyl5-methyl-3-({2-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C)cc(cc2)C
STL526220
Synonyms: N-(4-{[2-methoxy-5-(4-oxo-3,4-dihydro-2H-chromen-2-yl)benzyl]oxy}phenyl)acetamide
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C1CC(=O)c2c(O1)cccc2
STL526221
Synonyms: 2-methyl-4-oxo-3-phenyl-4H-chromen-7-yl2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Smiles: OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(c(c3=O)c2ccccc2)C)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
STL526222
Synonyms: (3aR,6R,9aR,11aR)-2-(2-hydroxyphenyl)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylicacid
Smiles: O=C1N(C(=O)[C@H]2[C@@H]1C13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)O)c1ccccc1O
STL526223
Synonyms: (5alpha,8xi,9xi,14xi,17xi,20xi)-5-chloro-24,24-diphenylchol-23-en-3-ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@@](C1)(Cl)CCC1C2CC[C@]2(C1CCC2C(C/C=C(\c1ccccc1)/c1ccccc1)C)C)C
STL526225
Synonyms: (3E,5xi,9xi,13xi,17xi,18xi)-3-(hydroxyimino)-19,28-epoxyoleanan-28-one
Smiles: O/N=C/1\CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC3=O)C(C)(C)CC1)C)C
STL526226
Synonyms: methyl(1S,4aR,5S)-5-(2-{2-[(tert-butylamino)methyl]furan-3-yl}ethyl)-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNC(C)(C)C)C
STL526228
Synonyms: 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-[4-(2-methylpropyl)phenyl]ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccc(cc2)CC(C)C)C)cc2c1OCO2
STL526229
Synonyms: (8xi,9xi,14xi,17beta)-17-hydroxy-17-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}androstan-3-one
Smiles: O=C1CC[C@]2(C(C1)CCC1C2CC[C@]2(C1CC[C@@]2(O)CSc1nccn1C)C)C
STL526231
Synonyms: N-[1-(9-ethyl-9H-carbazol-3-yl)ethyl]formamide
Smiles: O=CNC(c1ccc2c(c1)c1ccccc1n2CC)C
STL526232
Synonyms: 2-({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(NCc1cccnc1)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C
STL526233
Synonyms: N-{2-[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]propanoyl}-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)C(Oc1ccc2c(c1)oc(=O)c1c2CCC1)C
STL526234
Synonyms: 7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carbothioamide
Smiles: O=C1CC(C2(O1)CCOC(C2)(C)C)C(=S)N
STL526235
Synonyms: ethyl5-methoxy-3-({2-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C)cc(cc2)OC
STL526236
Synonyms: O-benzyl-N-(tert-butoxycarbonyl)tyrosylglycyltryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CNC(=O)C(Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C
STL526238
Synonyms: (2,5-dimethylfuran-3-yl)[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methanone
Smiles: COc1cc2c(cc1O)CCN([C@H]2C)C(=O)c1cc(oc1C)C
STL526239
Synonyms: 1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1CN1CCN(CC1)c1ccccc1F)C1NCCc2c1[nH]c1c2cc(cc1)OC
STL526240
Synonyms: (5alpha,8xi,9xi,14xi,16xi,17xi,20xi)-28-acetylspirosolan-3-ylacetate
Smiles: CC1CCC2(N(C1)C(=O)C)OC1C(C2C)[C@@]2(C(C1)C1CC[C@@H]3[C@](C1CC2)(C)CCC(C3)OC(=O)C)C
STL526242
Synonyms: [(3aS)-8-methyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylen-3-yl]acetonitrile
Smiles: N#CCN1CCn2c3[C@@H]1CCc3c(=O)c1c2ccc(c1)C
STL526244
Synonyms: 4-{[(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]methyl}cyclohexanecarboxylicacid
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)NCC1CCC(CC1)C(=O)O
STL526245
Synonyms: (1Z)-1-(3,4-dimethoxyphenyl)-N-hydroxy-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanimine
Smiles: O/N=C(\c1ccc(c(c1)OC)OC)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526246
Synonyms: 2-({[(5xi,9xi,13xi,17xi,18xi)-3-(acetyloxy)lup-20(29)-en-28-yl]oxy}carbonyl)benzoicacid
Smiles: CC(=O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)COC(=O)c1ccccc1C(=O)O)C)C
STL526247
Synonyms: 3',3'-dimethyl-3',4',6',7',11b',12'-hexahydrospiro[1,3-dithiolane-2,13'-isoquino[2,1-a]quinolin]-1'(2'H)-one
Smiles: O=C1CC(C)(C)CC2=C1C1(SCCS1)CC1N2CCc2c1cccc2
STL526249
Synonyms: 4-nitrobenzylN-[(13E,15S)-15-hydroxy-1,9-dioxoprost-13-en-1-yl]leucinate
Smiles: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NC(C(=O)OCc1ccc(cc1)[N+](=O)[O-])CC(C)C)O
STL526250
Synonyms: 1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2c(O)c(OC)c3c(c2OC)cco3)C)cc2c1OCO2
STL526251
Synonyms: 1-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-phenoxyethanone
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)COc1ccccc1
STL526252
Synonyms: 6-(benzyloxy)-1-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1COc1ccc(cc1)F)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1
STL526253
Synonyms: (3S,12E)-12-(hydroxyimino)-3-methyl-3,5,6,10b,11,12-hexahydro-1H-furo[3',4':5,6]pyrido[2,1-a]isoquinolin-1-one
Smiles: O/N=C/1\CC2N(C3=C1C(=O)O[C@H]3C)CCc1c2cccc1
STL526255
Synonyms: (1Z)-N-hydroxy-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(2-methoxyphenyl)ethanimine
Smiles: O/N=C(\c1ccccc1OC)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526256
Synonyms: (1S,5S)-3-{2-[(4-tert-butylphenyl)sulfonyl]ethyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)CCS(=O)(=O)c1ccc(cc1)C(C)(C)C
STL526257
Synonyms: (3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-[1-oxo-1-(phenylamino)propan-2-yl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: O=C(C(NC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)C)Nc1ccccc1
STL526258
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]alanylnorvaline
Smiles: CCCC(C(=O)O)NC(=O)C(NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C)C
STL526259
Synonyms: methyl(3E,5xi,9xi,13xi,17xi,18xi)-3-(hydroxyimino)lup-20(29)-en-28-oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CC/C(=N\O)/C3(C)C)C(=C)C
STL526261
Synonyms: (4-ethoxyphenyl)(6',7',10,11-tetramethoxyemetan-2'-yl)methanone
Smiles: CCOc1ccc(cc1)C(=O)N1CCc2c(C1CC1CC3N(CC1CC)CCc1c3cc(OC)c(c1)OC)cc(c(c2)OC)OC
STL526262
Synonyms: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl(4-acetylphenyl)carbamate
Smiles: O=C(OC1CCN2C1=Nc1ccccc1C2)Nc1ccc(cc1)C(=O)C
STL526263
Synonyms: (8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-(morpholin-4-ylimino)card-20(22)-enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@@]1(CCC(C2)O)/C=N/N1CCOCC1)O)O
STL526265
Synonyms: 2-(furan-2-ylmethyl)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(Cc2ccco2)C(=O)C2N1C(c1ccccc1)c1c(C2)c2c([nH]1)cccc2
STL526266
Synonyms: (8xi,14xi,17xi,19E)-19-{[2-(3,4-dihydroxyphenyl)ethyl]imino}-3,5,14-trihydroxycard-20(22)-enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/CCc1ccc(c(c1)O)O
STL526267
Synonyms: (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide
Smiles: CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2C(=S)Nc1cccc(c1)F
STL526268
Synonyms: ethyl2-[(E)-(4,7-dimethyl-2-oxo-2H-chromen-6-yl)diazenyl]-2-ethyl-3-oxobutanoate
Smiles: CCOC(=O)C(C(=O)C)(/N=N/c1cc2c(C)cc(=O)oc2cc1C)CC
STL526269
Synonyms: (3E,5xi,9xi,13xi,17xi,18xi)-3-(hydroxyimino)lup-20(29)-en-28-oicacid
Smiles: O/N=C/1\CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)C(=O)O)C)C
STL526270
Synonyms: 2-oxo-N-[(3R)-2-oxoazepan-3-yl]-2H-pyran-5-carboxamide
Smiles: O=C1NCCCC[C@H]1NC(=O)c1ccc(=O)oc1
STL526272
Synonyms: (3S,4S,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-ylchloroacetate
Smiles: ClCC(=O)O[C@H]1CC(=C2C([C@@H]3C1[C@H](C)C(=O)O3)C(=CC2=O)C)C
STL526273
Synonyms: (8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(pyridin-3-ylmethyl)imino]card-20(22)-enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1cccnc1)CCC(C2)O)O)O
STL526274
Synonyms: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl(3-chlorophenyl)carbamate
Smiles: O=C(Nc1cccc(c1)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL526275
Synonyms: S-[(7alpha,8xi,9xi,14xi,17alpha)-3-oxo-17,21-epoxypregn-4-en-7-yl]ethanethioate
Smiles: CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2(C2C1C1CC[C@]3([C@]1(CC2)C)CCO3)C
STL526276
Synonyms: (5alpha,6alpha,8xi,9xi,14xi)-3-hydroxy-5,6-epoxyandrostan-17-one
Smiles: OC1CC[C@]2([C@@]3(C1)O[C@H]3CC1C2CC[C@]2(C1CCC2=O)C)C
STL526277
Synonyms: (3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl2-chlorobenzoate
Smiles: O=C1O[C@H]2[C@H]([C@@H]1C)[C@H](CC(=C1[C@@H]2C(=CC1=O)C)C)OC(=O)c1ccccc1Cl
STL526278
Synonyms: (5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-yl3-(piperidin-1-yl)propanoate
Smiles: O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C)CCN1CCCCC1
STL526279
Synonyms: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Smiles: OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCCO3)C)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
STL526281
Synonyms: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl(3,4-dimethoxybenzyl)carbamate
Smiles: COc1cc(CNC(=O)OC2CCN3C2=Nc2ccccc2C3)ccc1OC
STL526282
Synonyms: (8xi,14xi,17xi,19E)-19-{[4-(furan-2-yl)butan-2-yl]imino}-3,5,14-trihydroxycard-20(22)-enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/C(CCc1ccco1)C
STL526283
Synonyms: (13E,15S)-N-(2,3-dimethoxybenzyl)-15-hydroxy-9-oxoprost-13-en-1-amide
Smiles: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCc1cccc(c1OC)OC)O
STL526284
Synonyms: 1-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-3-(4-methoxyphenyl)urea
Smiles: COc1ccc(cc1)NC(=O)NC1OC(=O)c2c1ccc(c2OC)OC
STL526285
Synonyms: 1,3,4,6-tetra-O-acetyl-2-({[4-(benzyloxy)phenyl]carbonyl}amino)-2-deoxy-D-glucopyranose
Smiles: CC(=O)OC[C@H]1OC(OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)c1ccc(cc1)OCc1ccccc1
STL526286
Synonyms: (8xi,14xi,17xi,19E)-19-[(3,4-dimethoxybenzyl)imino]-3,5,14-trihydroxycard-20(22)-enolide
Smiles: COc1cc(C/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)ccc1OC
STL526287
Synonyms: (1Z)-1-(2,5-dimethoxyphenyl)-N-hydroxy-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanimine
Smiles: COc1ccc(c(c1)/C(=N\O)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1)OC
STL526288
Synonyms: 3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]propyl3,4,5-trimethoxybenzoate
Smiles: OCC(Cn1cnc2c1c(=O)n(CCCOC(=O)c1cc(OC)c(c(c1)OC)OC)c(=O)n2C)O
STL526289
Synonyms: (2Z,5xi,9xi,13xi,17xi,18xi)-2-(furan-2-ylmethylidene)-3-oxolup-20(29)-en-28-oicacid
Smiles: CC(=C)[C@@H]1CCC2(C1C1CCC3[C@@]([C@]1(C)CC2)(C)CCC1[C@]3(C)C/C(=C/c2ccco2)/C(=O)C1(C)C)C(=O)O
STL526292
Synonyms: 5-(3-ethoxy-4-hydroxybenzyl)-1,3-dimethyl-5-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1cc(ccc1O)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
STL526293
Synonyms: (1S,5R)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC1CCS(=O)(=O)C1
STL526294
Synonyms: 6-methoxy-1-(3,4,6-trimethylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)C1CC(=C(CC1C)C)C
STL526295
Synonyms: 7-(2,3-dihydroxypropyl)-1-[3-(dimethylamino)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1cnc2c1c(=O)n(CCCN(C)C)c(=O)n2C)O
STL526296
Synonyms: (8xi,14xi,17xi,19E)-19-[(3,5-dimethoxybenzyl)imino]-3,5,14-trihydroxycard-20(22)-enolide
Smiles: COc1cc(C/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)cc(c1)OC
STL526297
Synonyms: (2R,3R,10S,13S)-2,10,13-trimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-thiiran]-17-ol
Smiles: OC1CCC2[C@]1(C)CCC1C2CCC2[C@]1(C)C[C@@H](C)[C@]1(C2)CS1
STL526298
Synonyms: 2-[4-(2-methylpropyl)phenyl]-N'-{2-[4-(2-methylpropyl)phenyl]propanoyl}propanehydrazide
Smiles: CC(c1ccc(cc1)CC(C)C)C(=O)NNC(=O)C(c1ccc(cc1)CC(C)C)C
STL526299
Synonyms: (5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-yl4-methylpentanoate
Smiles: CC(CCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C)C
STL526300
Synonyms: methyl(1S,4aR,5S)-5-[2-(2-{[(2-hydroxyethyl)amino]methyl}furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Smiles: OCCNCc1occc1CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(=O)OC
STL526301
Synonyms: 2-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CCc2c[nH]c3c2cccc3)CC(=O)N2C1Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL526302
Synonyms: 5-(1,3-benzodioxol-5-yl)-2-phenyl-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
Smiles: S=C1N(c2ccccc2)C(=O)C2N1C(c1ccc3c(c1)OCO3)c1c(C2)c2c([nH]1)cccc2
STL526304
Synonyms: 8-{[3-(diethylamino)-2-hydroxypropoxy]methyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CC(COCc1nc2c(n1C)c(=O)n(c(=O)n2C)C)O)CC
STL526305
Synonyms: [(1R,3S)-3-(5-methoxy-2-methyl-1H-indol-3-yl)-2,2-dimethylcyclopropyl]acetonitrile
Smiles: COc1ccc2c(c1)c([C@H]1[C@H](C1(C)C)CC#N)c([nH]2)C
STL526306
Synonyms: ethyl4-{[2-({[(3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]carbonyl}amino)propanoyl]amino}benzoate(non-preferredname)
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C(NC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)C
STL526307
Synonyms: 1-(1,1,2,3,3,6-hexamethyl-2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2cc3c(cc2C)C(C(C3(C)C)C)(C)C)C)cc2c1OCO2
STL526308
Synonyms: (1S)-3-[2-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-oxoethyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Fc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526309
Synonyms: (8xi,14xi,17xi,19E)-19-[(1,3-dihydroxy-2-methylpropan-2-yl)imino]-3,5,14-trihydroxycard-20(22)-enolide
Smiles: OCC(/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O)(CO)C
STL526312
Synonyms: (8xi,14xi,17xi,19E)-19-(butan-2-ylimino)-3,5,14-trihydroxycard-20(22)-enolide
Smiles: CCC(/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O)C
STL526314
Synonyms: N-{[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}-L-isoleucine
Smiles: CC[C@@H]([C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCC1)C
STL526315
Synonyms: 3-{[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl](methyl)amino}-5-[(3-methylphenyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: Cc1cccc(c1)Nc1cc(N([C@@H]([C@@H](c2ccccc2)O)C)C)c2c3c1C(=O)c1ccccc1c3on2
STL526316
Synonyms: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)hexane-2,5-dione
Smiles: COc1c2c(CCN(C2CC(=O)CCC(=O)C)C)cc2c1OCO2
STL526317
Synonyms: 3-(1H-indol-3-yl)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
Smiles: COc1ccccc1N1C(=O)CC(C1=O)c1c[nH]c2c1cccc2
STL526318
Synonyms: 4-(2-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylicacid
Smiles: OC(=O)c1cccc2c1NC(C1C2C=CC1)c1ccccc1Br
STL526319
Synonyms: (3S,7E)-7-(hydroxyimino)-14,16-dimethoxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one
Smiles: O/N=C/1\CCCCCc2cc(OC)cc(c2C(=O)O[C@H](CCC1)C)OC
STL526320
Synonyms: 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-4H-chromen-4-one
Smiles: COc1ccc(cc1CN1CCOCC1)C1CC(=O)c2c(O1)cccc2
STL526321
Synonyms: (1R,4S)-1,9,11-trimethyl-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a]indole
Smiles: Cc1ccc2c(c1)c(C)c1n2C[C@H]2O[C@@]1(C)OC2
STL526322
Synonyms: benzyl3-O-acetyl-4,6-O-benzylidene-2-deoxy-2-{[(2,2,2-trichloroethoxy)carbonyl]amino}-alpha-D-glucopyranoside
Smiles: O=C(N[C@H]1[C@@H](OCc2ccccc2)O[C@H]2[C@H]([C@@H]1OC(=O)C)OC(OC2)c1ccccc1)OCC(Cl)(Cl)Cl
STL526323
Synonyms: N-[1-(9-methyl-9H-carbazol-3-yl)ethyl]formamide
Smiles: O=CNC(c1ccc2c(c1)c1ccccc1n2C)C
STL526324
Synonyms: 2-({[(3Z,8xi,9xi,14xi,17alpha)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)-N-(thiophen-2-ylmethyl)acetamide
Smiles: O=C(NCc1cccs1)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@H]2O)C)C
STL526325
Synonyms: 1-(6-fluoro-4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylicacid
Smiles: Fc1ccc2c(c1)c(=O)c(co2)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O
STL526326
Synonyms: N-[(benzyloxy)carbonyl]valylglycyltryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CNC(=O)C(C(C)C)NC(=O)OCc1ccccc1
STL526327
Synonyms: 1-[(8xi,9xi,14xi,16xi,17xi)-3-hydroxyspirosol-5-en-28-yl]butan-1-one
Smiles: CCCC(=O)N1CC(C)CCC21OC1C([C@@H]2C)[C@@]2(C(C1)C1CC=C3[C@](C1CC2)(C)CCC(C3)O)C
STL526328
Synonyms: 5-{[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]amino}pentanoicacid
Smiles: O=C(CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C)NCCCCC(=O)O
STL526329
Synonyms: 2-{[3-(furan-2-yl)-3-phenylpropyl]carbamoyl}benzoicacid
Smiles: O=C(c1ccccc1C(=O)O)NCCC(c1ccco1)c1ccccc1
STL526330
Synonyms: 4-{[(13E,15S)-15-hydroxy-1,9-dioxoprost-13-en-1-yl]amino}benzoicacid
Smiles: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)Nc1ccc(cc1)C(=O)O)O
STL526331
Synonyms: (3S,10S)-10,17,17-trimethyl-1,2,4,5,6,7,8,9,10,11,12,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-thiirane]
Smiles: C[C@]12CC[C@]3(CC1CCC1C2CCC2=C1CCC2(C)C)CS3
STL526332
Synonyms: 4-{methyl[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}but-2-yn-1-yl4-methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)OCC#CCN([C@H]1CCc2c(c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC)C
STL526334
Synonyms: 5-(3,4-dimethoxybenzyl)-1,3-dimethyl-5-{[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C
STL526336
Synonyms: (3S,4S,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yltrichloroacetate
Smiles: O=C1O[C@H]2C([C@@H]1C)[C@@H](OC(=O)C(Cl)(Cl)Cl)CC(=C1C2C(=CC1=O)C)C
STL526337
Synonyms: (2Z,5xi,9xi,13xi,17xi,18xi)-2-benzylidene-3-oxolup-20(29)-en-28-oicacid
Smiles: CC(=C)[C@@H]1CCC2(C1C1CCC3[C@@]([C@]1(C)CC2)(C)CCC1[C@]3(C)C/C(=C/c2ccccc2)/C(=O)C1(C)C)C(=O)O
STL526338
Synonyms: ethyl5-fluoro-3-({2-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C)cc(cc2)F
STL526339
Synonyms: (2,4-dichlorophenyl)[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methanone
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)c1ccc(cc1Cl)Cl
STL526340
Synonyms: (1S,5S)-3-[2-(ethylsulfonyl)ethyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: CCS(=O)(=O)CCN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526341
Synonyms: N-[(3-{2-[(1S,5S,8aR)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}furan-2-yl)methyl]alanine
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNC(C(=O)O)C)C
STL526342
Synonyms: 1-({(3R)-1-[(4-methylphenyl)sulfonyl]piperidin-3-yl}carbonyl)-D-prolyl-L-leucylglycinamide
Smiles: CC(C[C@@H](C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C)C
STL526343
Synonyms: (3aR,5aR,8aS,8bR)-N-{2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
STL526344
Synonyms: 3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]propan-1-ol
Smiles: OCCCNC1CCCc2c1[nH]c1c2cc(cc1)C
STL526345
Synonyms: 1-[2-(diethylamino)ethyl]-7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1cnc2c1c(=O)n(CCN(CC)CC)c(=O)n2C)O
STL526346
Synonyms: 2-methyl-4-oxo-3-phenyl-4H-chromen-7-yl3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(c(c3=O)c2ccccc2)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C
STL526347
Synonyms: 1,3,3,5-tetramethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
Smiles: CC1NC(C)(C)CC(c2c1cccc2)C
STL526348
Synonyms: (4aS,9bR)-N-(3-chlorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxamide
Smiles: CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2C(=O)Nc1cccc(c1)Cl
STL526349
Synonyms: N-[(3-{2-[(1S,5S,8aR)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}furan-2-yl)methyl]glycine
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNCC(=O)O)C
STL526351
Synonyms: 9,11-dimethyl-1-(4-methylphenyl)-4,5-dihydro-3H-[1,4]diazepino[1,2-a]indol-4-ol
Smiles: Cc1ccc(cc1)C1=NCC(Cn2c1c(C)c1c2ccc(c1)C)O
STL526352
Synonyms: 2-methylpropyl4-{[2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)benzyl]oxy}benzoate
Smiles: COc1ccc(cc1COc1ccc(cc1)C(=O)OCC(C)C)C1NCCc2c1[nH]c1c2cc(cc1)OC
STL526353
Synonyms: 4-formyl-2-methoxyphenyl3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Smiles: O=Cc1ccc(c(c1)OC)O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C
STL526354
Synonyms: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methylbutan-2-one
Smiles: COc1c2c(CCN(C2CC(=O)C(C)C)C)cc2c1OCO2
STL526355
Synonyms: 3',4',6',7',11b',12'-hexahydrospiro[1,3-dithiolane-2,13'-isoquino[2,1-a]quinolin]-1'(2'H)-one
Smiles: O=C1CCCC2=C1C1(SCCS1)CC1N2CCc2c1cccc2
STL526356
Synonyms: 6-methoxy-1-(1-methyl-1H-pyrazol-4-yl)-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)c1cnn(c1)C
STL526357
Synonyms: methylN-[(benzyloxy)carbonyl]valyltryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1
STL526358
Synonyms: (8xi,14xi,17xi,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-[(pyridin-4-ylmethyl)imino]card-20(22)-enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1ccncc1)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O
STL526359
Synonyms: (3aR,5aR,8aS,8bR)-N-{1-[(2-hydroxyphenyl)amino]-1-oxopropan-2-yl}-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: O=C(C(NC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)C)Nc1ccccc1O
STL526361
Synonyms: 2-benzyl-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(Cc2ccccc2)CC(=O)N2C1Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL526362
Synonyms: (1S,5R)-3-nitroso-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=NN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526364
Synonyms: 4-({[({[(3Z,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]amino}methyl)benzoicacid
Smiles: O=C(NCc1ccc(cc1)C(=O)O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C
STL526365
Synonyms: (3-ethoxyphenyl)[2-(pyridin-3-yl)piperidin-1-yl]methanone
Smiles: CCOc1cccc(c1)C(=O)N1CCCCC1c1cccnc1
STL526366
Synonyms: (8xi,14xi,17xi,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-{[2-(piperidin-1-yl)ethyl]imino}card-20(22)-enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/CCN1CCCCC1)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O
STL526367
Synonyms: 8-bromo-3-({(E)-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methylidene}amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: CC(=CCCC1=CCC(C(C1)C)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Br)C
STL526368
Synonyms: ethyl2-[(4-methyl-2-oxo-8-propanoyl-2H-chromen-7-yl)oxy]butanoate
Smiles: CCOC(=O)C(Oc1ccc2c(c1C(=O)CC)oc(=O)cc2C)CC
STL526369
Synonyms: (1S,5S)-3-[(5-methylfuran-3-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Cc1occ(c1)C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526370
Synonyms: (3beta)-cholest-5-en-3-yl[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetate
Smiles: CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C)C
STL526371
Synonyms: N-[2-(3,4-dihydroxyphenyl)ethyl]-2-({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide
Smiles: O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C)NCCc1ccc(c(c1)O)O
STL526372
Synonyms: (1S,5R)-N-(3,4-dimethoxybenzyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: COc1ccc(cc1OC)CNC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526373
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]alanylnorleucine
Smiles: CC(C(=O)NC(C(=O)O)CCCC)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C
STL526374
Synonyms: 1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2cc3c(cc2C)C(C)(C)C(CC3(C)C)C)C)cc2c1OCO2
STL526375
Synonyms: (1S,5S)-3-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)N1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1
STL526377
Synonyms: [2-(4-methoxyphenyl)octahydroindolizin-7-yl]methyl3,4,5-trimethoxybenzoate
Smiles: COc1ccc(cc1)C1CN2C(C1)CC(CC2)COC(=O)c1cc(OC)c(c(c1)OC)OC
STL526379
Synonyms: (1S,5R)-N-(4-acetylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1ccc(cc1)C(=O)C
STL526380
Synonyms: 1-(2,5-dimethylfuran-3-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2cc(oc2C)C)C)cc2c1OCO2
STL526382
Synonyms: N',N''-(3Z,8xi,9xi,14xi,17Z)-androst-4-ene-3,17-diylidenedipyridine-4-carbohydrazide
Smiles: O=C(c1ccncc1)N/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC/C/2=N/NC(=O)c1ccncc1)C)C
STL526383
Synonyms: 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2cc(cc3c2CCC3(C)C)C(C)(C)C)C)cc2c1OCO2
STL526384
Synonyms: (5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-yl3-(morpholin-4-yl)propanoate
Smiles: O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C)CCN1CCOCC1
STL526386
Synonyms: (3a'R,5a'R,8a'S,8b'R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carboxamide(non-preferredname)
Smiles: O=C(C1O[C@@H]2OC3(O[C@@H]2[C@@H]2[C@H]1OC1(O2)CCCCC1)CCCCC3)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
STL526387
Synonyms: methyl(5Z)-2,2-dimethyl-4,6-dioxo-5-{1-[(2-phenylethyl)amino]butylidene}cyclohexanecarboxylate
Smiles: CCC/C(=C/1\C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NCCc1ccccc1
STL526390
Synonyms: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl(4-methoxyphenyl)carbamate
Smiles: COc1ccc(cc1)NC(=O)OC1CCN2C1=Nc1ccccc1C2
STL526391
Synonyms: (2S)-2-{[(2S)-4-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoyl]amino}pentanedioicacid(non-preferredname)
Smiles: OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1
STL526392
Synonyms: (4aR,6aS)-4a,6a,7-trimethyl-2,3,4,4a,4b,5,6,6a,10,10a,10b,11-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,2]oxazol-2-ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3Cc3c2c(C)no3)C)C1)C
STL526393
Synonyms: 2-butyl-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCN1CC(=O)N2C(C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL526394
Synonyms: ethyl4-{[({[(3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]carbonyl}amino)acetyl]amino}benzoate(non-preferredname)
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
STL526395
Synonyms: (8xi,9xi,14xi)-3-hydroxy-21-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pregna-5,16-dien-20-one
Smiles: COc1c2c(CCN(C2CC(=O)C2=CCC3[C@]2(C)CCC2C3CC=C3[C@]2(C)CCC(C3)O)C)cc2c1OCO2
STL526396
Synonyms: (9bS)-N-(2-methoxyphenyl)-5-oxo-9b-phenyl-2,3,5,9b-tetrahydro-1H-imidazo[2,1-a]isoindole-1-carboxamide
Smiles: COc1ccccc1NC(=O)N1CCN2[C@]1(c1ccccc1)c1ccccc1C2=O
STL526398
Synonyms: methyl(2Z,5xi,9xi,13xi,17xi,18xi)-2-(furan-2-ylmethylidene)-3-oxolup-20(29)-en-28-oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)C/C(=C/c1ccco1)/C(=O)C3(C)C)C(=C)C
STL526399
Synonyms: 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(c(c1)OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C
STL526400
Synonyms: 6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Smiles: OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)c2c3CCCC2)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
STL526401
Synonyms: 1,1,1-trifluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)propan-2-ol
Smiles: COc1c2c(CCN(C2CC(C(F)(F)F)O)C)cc2c1OCO2
STL526402
Synonyms: 6-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-2H-chromen-2-one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1ccc2c(c1)ccc(=O)o2
STL526403
Synonyms: (13E,15S)-15-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-9-oxoprost-13-en-1-amide
Smiles: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCc1ccc(cc1)O)O
STL526404
Synonyms: 3-{2-[(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]ethyl}-5-methoxy-1H-indole-2-carboxylicacid
Smiles: COc1ccc2c(c1)c(CCNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC3[C@]1(C)CC(O)C1C3CCC3=CC(=O)CC[C@]13C)c([nH]2)C(=O)O
STL526405
Synonyms: (5s,7s)-5,7-diethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: OCC(C(C(C1N2C[C@]3(CN1C[C@@](C2)(C3=O)CC)CC)O)O)O
STL526406
Synonyms: 2-({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-(pyridin-4-ylmethyl)acetamide
Smiles: O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C)NCc1ccncc1
STL526407
Synonyms: 5-(4-methylbenzyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1
STL526409
Synonyms: 3,3,12,12-tetramethyl-3,4,6,7,11b,12-hexahydro-1H-isoquino[2,1-a]quinoline-1,13(2H)-dione
Smiles: O=C1CC(C)(C)CC2=C1C(=O)C(C1N2CCc2c1cccc2)(C)C
STL526410
Synonyms: 4-{[(2R,3R,4R)-2,3,4,5-tetrakis(acetyloxy)pentanoyl]amino}benzoicacid(non-preferredname)
Smiles: CC(=O)O[C@H]([C@@H]([C@H](OC(=O)C)COC(=O)C)OC(=O)C)C(=O)Nc1ccc(cc1)C(=O)O
STL526411
Synonyms: 3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-N-[4-(propan-2-yloxy)benzyl]propan-1-amine
Smiles: COc1ccccc1C(c1ccc2c(c1)OCO2)CCNCc1ccc(cc1)OC(C)C
STL526412
Synonyms: 2-{[(2R,3R,4R)-2,3,4,5-tetrakis(acetyloxy)pentanoyl]amino}benzoicacid(non-preferredname)
Smiles: CC(=O)O[C@H]([C@@H]([C@H](OC(=O)C)COC(=O)C)OC(=O)C)C(=O)Nc1ccccc1C(=O)O
STL526413
Synonyms: (8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{[2-(piperidin-1-yl)ethyl]imino}card-20(22)-enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/CCN1CCCCC1
STL526414
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6,7-dimethoxy-2-benzofuran-1(3H)-one
Smiles: COc1ccc2c(c1OC)C(=O)OC2Nc1ccc2c(c1)OCCO2
STL526415
Synonyms: 6-methoxy-1-(3-methoxy-4-propoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: CCCOc1ccc(cc1OC)C1NCCc2c1[nH]c1c2cc(cc1)OC
STL526416
Synonyms: (8xi,14xi,17xi,19E)-19-[(2,3-dimethoxybenzyl)imino]-3,5,14-trihydroxycard-20(22)-enolide
Smiles: COc1c(C/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)cccc1OC
STL526417
Synonyms: furan-2-yl(6',7',10,11-tetramethoxyemetan-2'-yl)methanone
Smiles: CCC1CN2CCc3c(C2CC1CC1c2cc(OC)c(cc2CCN1C(=O)c1ccco1)OC)cc(c(c3)OC)OC
STL526418
Synonyms: (8xi,14xi,17alpha)-17-hydroxy-3-oxoandrosta-4,9(11)-diene-17-carbonitrile
Smiles: N#C[C@@]1(O)CCC2[C@]1(C)CC=C1C2CCC2=CC(=O)CC[C@]12C
STL526419
Synonyms: 1,3,4,6-tetra-O-acetyl-2-({[2-(benzyloxy)phenyl]carbonyl}amino)-2-deoxy-D-glucopyranose
Smiles: CC(=O)OC[C@H]1OC(OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)c1ccccc1OCc1ccccc1
STL526420
Synonyms: (6aS)-3-chloro-5-methyl-11-oxo-5,6,6a,11-tetrahydroisoindolo[2,1-a]quinoline-10-carboxylicacid
Smiles: Clc1ccc2c(c1)C(C)C[C@@H]1N2C(=O)c2c1cccc2C(=O)O
STL526421
Synonyms: 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(pyridin-4-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccncc2)C)cc2c1OCO2
STL526422
Synonyms: 4-[(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-2-hydroxy-3,3-dimethylbutanoicacid
Smiles: O=C(NCC(C(C(=O)O)O)(C)C)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
STL526424
Synonyms: ethyl2-[(4-methyl-2-oxo-8-propanoyl-2H-chromen-7-yl)oxy]propanoate
Smiles: CCOC(=O)C(Oc1ccc2c(c1C(=O)CC)oc(=O)cc2C)C
STL526426
Synonyms: 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol
Smiles: COc1c2c(CCN(C2CC(c2cc(cc3c2CCC3(C)C)C(C)(C)C)O)C)cc2c1OCO2
STL526427
Synonyms: 1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylicacid
Smiles: COc1cc(cc(c1O)OC)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O
STL526428
Synonyms: 3-(1H-indol-3-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
Smiles: COc1ccc(cc1)N1C(=O)CC(C1=O)c1c[nH]c2c1cccc2
STL526429
Synonyms: (1S,5S)-3-(trichloroacetyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526430
Synonyms: 2-{[(5xi,9xi,13xi,17xi,18xi)-19,28-epoxyoleanan-3-yloxy]carbonyl}benzoicacid
Smiles: O=C(c1ccccc1C(=O)O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC1)C(C)(C)CC3)C)C
STL526431
Synonyms: 1-(3,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylicacid
Smiles: OC(=O)C1NC(c2ccc(c(c2)Cl)Cl)c2c(C1)c1ccccc1[nH]2
STL526433
Synonyms: (8xi,9xi,14xi,17alpha)-17,21-epoxypregnan-3-one
Smiles: O=C1CC[C@]2(C(C1)CCC1C2CC[C@]2(C1CC[C@]12CCO1)C)C
STL526434
Synonyms: 2-hydroxy-3,3-dimethyl-4-[(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)amino]butanoicacid
Smiles: O=C(NCC(C(C(=O)O)O)(C)C)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL526435
Synonyms: N-[3-(furan-2-yl)-3-phenylpropyl]-N-[4-(propan-2-yloxy)benzyl]propanamide
Smiles: CCC(=O)N(Cc1ccc(cc1)OC(C)C)CCC(c1ccco1)c1ccccc1
STL526436
Synonyms: 3-[(4-carboxyheptanoyl)amino]benzoicacid
Smiles: CCCC(C(=O)O)CCC(=O)Nc1cccc(c1)C(=O)O
STL526437
Synonyms: 2-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol
Smiles: OCCNC1CCCc2c1[nH]c1c2cc(cc1)Br
STL526439
Synonyms: (8xi,14xi,17xi,19E)-19-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)imino]-3,5,14-trihydroxycard-20(22)-enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@@]1(CCC(C2)O)/C=N/C1CCOC(C1)(C)C)O)O
STL526440
Synonyms: (3aR,5aR,8aS,8bR)-N-{2-[(2-hydroxyphenyl)amino]-2-oxoethyl}-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: O=C(Nc1ccccc1O)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
STL526441
Synonyms: (3S,6Z)-3-(butan-2-yl)-6-(2-chlorobenzylidene)piperazine-2,5-dione
Smiles: CCC([C@@H]1NC(=O)/C(=C/c2ccccc2Cl)/NC1=O)C
STL526442
Synonyms: (1S,5S)-3-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Cc1oc2c(c1C(=O)N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)CCCC2
STL526443
Synonyms: N-(4-methoxyphenyl)-Nalpha-[(2-methylpropoxy)carbonyl]-L-tryptophanamide
Smiles: COc1ccc(cc1)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCC(C)C
STL526445
Synonyms: 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-methoxyphenyl)ethanol
Smiles: COc1c2c(CCN(C2CC(c2ccc(cc2)OC)O)C)cc2c1OCO2
STL526446
Synonyms: methyl(1S,4aR,5S)-1,4a-dimethyl-6-methylidene-5-[2-(2-{[(2-phenylethyl)amino]methyl}furan-3-yl)ethyl]decahydronaphthalene-1-carboxylate
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNCCc1ccccc1)C
STL526448
Synonyms: methyl(1S,4aR,5S)-5-(2-{2-[(cyclohexylamino)methyl]furan-3-yl}ethyl)-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNC1CCCCC1)C
STL526449
Synonyms: (8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(3,4,5-trimethoxybenzyl)imino]card-20(22)-enolide
Smiles: COc1cc(C/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)cc(c1OC)OC
STL526450
Synonyms: 9-pentofuranosyl-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-9H-purin-6-amine
Smiles: OCC1OC(C(C1O)O)n1c(N/N=C/c2cccnc2)nc2c1ncnc2N
STL526451
Synonyms: 5-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}-5-methyl-3-(2-methylpropyl)dihydrofuran-2(3H)-one
Smiles: COc1ccccc1Nc1scc(n1)C1(C)OC(=O)C(C1)CC(C)C
STL526452
Synonyms: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-(4-methoxyphenyl)propan-2-ol
Smiles: COc1c2c(CCN(C2CC(Cc2ccc(cc2)OC)O)C)cc2c1OCO2
STL526453
Synonyms: (3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: O=C(Nc1cccc2c1cccc2)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
STL526454
Synonyms: 1-(4-fluorophenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccc(cc2)F)C)cc2c1OCO2
STL526455
Synonyms: methyl5,6-dimethoxy-3-({[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cc(c(c2)OC)OC
STL526456
Synonyms: 7-(2,3-dihydroxypropyl)-1-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(=O)n(C)c2c(c1=O)n(cn2)CC(CO)O
STL526457
Synonyms: 1-(4,6-dimethylcyclohex-3-en-1-yl)-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)C1CC=C(CC1C)C
STL526458
Synonyms: (13E,15R)-15-hydroxy-N-(2-methoxydibenzo[b,d]furan-3-yl)-9-oxoprost-13-en-1-amide
Smiles: CCCCC[C@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)Nc1cc2oc3c(c2cc1OC)cccc3)O
STL526459
Synonyms: methyl1-[(benzyloxy)carbonyl]prolyltryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CCCN1C(=O)OCc1ccccc1
STL526460
Synonyms: (5xi,9xi,13xi,17xi,18xi)-19,28-epoxyoleanan-3-yltrifluoroacetate
Smiles: O=C(C(F)(F)F)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC1)C(C)(C)CC3)C)C
STL526461
Synonyms: 4-methoxy-5-(5-methoxy-1H-indol-3-yl)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2c(CCN(C2c2c[nH]c3c2cc(OC)cc3)C)cc2c1OCO2
STL526464
Synonyms: 1-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl]-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccc(s2)C#CC(O)(C)C)C)cc2c1OCO2
STL526465
Synonyms: (1Z)-N-hydroxy-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-methoxyphenyl)ethanimine
Smiles: O/N=C(\c1ccc(cc1)OC)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526466
Synonyms: 2-imino-10-[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]tetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
Smiles: N#CC12C(=N)OC3(OC1C1=CCC(CC1)C(=C)C)C(C2(C#N)C#N)CCCC3
STL526467
Synonyms: dimethyl(3E,3'E)-3,3'-{propane-1,2-diylbis[imino(E)methylylidene]}bis(6,6-dimethyl-2,4-dioxocyclohexanecarboxylate)
Smiles: COC(=O)C1C(=O)/C(=C/NCC(N/C=C/2\C(=O)CC(C(C2=O)C(=O)OC)(C)C)C)/C(=O)CC1(C)C
STL526468
Synonyms: 1-cyclododecyl-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)C2CCCCCCCCCCC2)C)cc2c1OCO2
STL526469
Synonyms: 1-(2-hydroxy-5-methylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2cc(C)ccc2O)C)cc2c1OCO2
STL526470
Synonyms: 7-(2,3-dihydroxypropyl)-1-[2-(dimethylamino)ethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1cnc2c1c(=O)n(CCN(C)C)c(=O)n2C)O
STL526472
Synonyms: 1-(7-methyl-4-oxo-4H-chromen-3-yl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylicacid
Smiles: Cc1ccc2c(c1)occ(c2=O)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O
STL526473
Synonyms: (2E)-1-(3,4-dimethoxyphenyl)-N-hydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)propan-2-imine
Smiles: O/N=C(/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1)\Cc1ccc(c(c1)OC)OC
STL526475
Synonyms: (3E,5xi,9xi,13xi,17xi,18xi,28E)-N~3~,N~28~-dihydroxylup-20(29)-ene-3,28-diimine
Smiles: O/N=C/C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CC/C(=N\O)/C3(C)C)C(=C)C
STL526476
Synonyms: 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(pyridin-2-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccccn2)C)cc2c1OCO2
STL526477
Synonyms: (3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: O=C(Nc1ccc(cc1)C)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
STL526478
Synonyms: 4-ethyl-11-methyl-1,2,3,3a,4,5,6,7-octahydro[1,4]diazepino[3,2,1-jk]carbazol-6-ol
Smiles: CCN1CC(O)Cn2c3C1CCCc3c1c2ccc(c1)C
STL526479
Synonyms: 6-methoxy-1-[3-methoxy-4-(propan-2-yloxy)phenyl]-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1cc(ccc1OC(C)C)C1NCCc2c1[nH]c1c2cc(cc1)OC
STL526480
Synonyms: 3,3-dimethyl-3,4,6,7,11b,12-hexahydro-1H-isoquino[2,1-a]quinoline-1,13(2H)-dione
Smiles: O=C1CC2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cccc1
STL526481
Synonyms: 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
Smiles: COc1cc(cc(c1OC)OC)C(=O)CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526483
Synonyms: (1Z)-N-hydroxy-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(pyridin-4-yl)ethanimine
Smiles: O/N=C(\c1ccncc1)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526484
Synonyms: (4aS,9bR)-N,2,8-trimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxamide
Smiles: CNC(=O)N1[C@H]2CCN(C[C@H]2c2c1ccc(c2)C)C
STL526485
Synonyms: (5alpha,8xi,9xi,14xi)-17-oxoandrostan-3-yl4-methylpentanoate
Smiles: CC(CCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C)C
STL526486
Synonyms: N-[(7S)-1,2,3-trimethoxy-9-oxo-10-{[(3R)-2-oxoazepan-3-yl]amino}-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@@H]2CCCCNC2=O)NC(=O)C)cc(c1OC)OC
STL526487
Synonyms: (13E,15S)-15-hydroxy-N-(4-methoxybenzyl)-9-oxoprost-13-en-1-amide
Smiles: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCc1ccc(cc1)OC)O
STL526488
Synonyms: benzyl2-{[(5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}pyrrolidine-1-carboxylate
Smiles: O=C(C1CCCN1C(=O)OCc1ccccc1)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1
STL526489
Synonyms: (1S,5R)-N-(4-methoxybenzyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526490
Synonyms: ethylN-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}glycinate
Smiles: CCOC(=O)CNC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526491
Synonyms: (8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(2-methoxy-2-oxoethyl)imino]card-20(22)-enolide
Smiles: COC(=O)C/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O
STL526492
Synonyms: (8xi,14xi)-17-hydroxyestra-4,9-dien-3-one
Smiles: O=C1CCC2=C3CC[C@]4(C(C3CCC2=C1)CCC4O)C
STL526494
Synonyms: methyl3-({2-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C)cccc2
STL526495
Synonyms: (5alpha,8xi,9xi,14xi,16xi,17xi,20xi)-28-acetylspirosolan-3-ylpropanoate
Smiles: CCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC1C2C(C)C2(O1)CCC(CN2C(=O)C)C)C)C
STL526496
Synonyms: 2-({[(5xi,9xi,13xi,17xi,18xi)-28-(acetyloxy)lup-20(29)-en-3-yl]oxy}carbonyl)benzoicacid
Smiles: CC(=O)OCC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)c1ccccc1C(=O)O)C(=C)C
STL526498
Synonyms: 4-{[(4-{[(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)amino]methyl}benzoicacid
Smiles: O=C(NCc1ccc(cc1)C(=O)O)CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C
STL526499
Synonyms: N-{(1E)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}-3-phenylpropanamide
Smiles: O=C(N/C(=C\1/C(=O)C[C@@H]2[C@H]1C2(C)C)/C)CCc1ccccc1
STL526500
Synonyms: 8-{[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl]sulfanyl}quinoline
Smiles: C1CCN2[C@H](C1)[C@@H](CCC2)CSc1cccc2c1nccc2
STL526501
Synonyms: 2-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]benzamide
Smiles: O=C(c1ccccc1C)NC[C@@H]1CCCN2[C@@H]1CCCC2
STL526502
Synonyms: 5-(3-bromo-5-ethoxy-4-hydroxybenzyl)-1,3-dimethyl-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1cc(cc(c1O)Br)CC1(CN2CC3CC(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C
STL526503
Synonyms: 7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-4-phenyl-2H-chromen-2-one
Smiles: CC1CCCCN1Cc1c(O)ccc2c1oc(=O)cc2c1ccccc1
STL526504
Synonyms: (1R,2S)-N-{(1Z)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}-2-phenylcyclopropanecarboxamide
Smiles: O=C([C@@H]1C[C@@H]1c1ccccc1)N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C
STL526505
Synonyms: methylN-(4-{[(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)tyrosinate
Smiles: COC(=O)C(Cc1ccc(cc1)O)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C
STL526506
Synonyms: 2-({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-(pyridin-4-ylmethyl)acetamide
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCc3ccncc3)/CC[C@]12C
STL526507
Synonyms: 4-(phosphonomethyl)phenylalanine
Smiles: OC(=O)C(Cc1ccc(cc1)CP(=O)(O)O)N
STL526508
Synonyms: N-{(1Z)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}quinoline-6-carboxamide
Smiles: C/C(=C\1/C(=O)C[C@@H]2[C@H]1C2(C)C)/NC(=O)c1ccc2c(c1)cccn2
STL526509
Synonyms: (2R)-2-amino-7-phosphonoheptanoicacid
Smiles: N[C@@H](C(=O)O)CCCCCP(=O)(O)O
STL526510
Synonyms: (8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutanoate
Smiles: O=C(OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C)CCC(=O)ON1C(=O)CCC1=O
STL526511
Synonyms: N-{3-methyl-1-oxo-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pentan-2-yl}acetamide
Smiles: CCC(C(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)C)C
STL526512
Synonyms: 3-benzyl-8-(cyclopent-1-en-1-yl)-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
Smiles: c1ccc(cc1)CN1CCn2c3C1CCCc3c1c2ccc(c1)C1=CCCC1
STL526513
Synonyms: tert-butyl4-[(tert-butoxycarbonyl)amino]-5-oxo-5-[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pentanoate
Smiles: O=C(OC(C)(C)C)NC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCC(=O)OC(C)(C)C
STL526514
Synonyms: (8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCC1(CCOC(C1)(C)C)c1ccccc1
STL526515
Synonyms: tert-butyl{4-methyl-1-oxo-1-[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pentan-2-yl}carbamate
Smiles: CC(CC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)OC(C)(C)C)C
STL526516
Synonyms: N-[(3,4,5-trimethoxyphenyl)carbonyl]phenylalanine
Smiles: COc1cc(cc(c1OC)OC)C(=O)NC(C(=O)O)Cc1ccccc1
STL526517
Synonyms: methylN-(4-{[(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C
STL526518
Synonyms: 1-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccc(cc2O)OC)C)cc2c1OCO2
STL526519
Synonyms: (8xi,9xi,14xi,16alpha,17xi,20E)-16-hydroxy-20-(hydroxyimino)-17-methoxypregn-5-en-3-ylbenzoate
Smiles: O/N=C(/C1(OC)[C@H](O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)c1ccccc1)\C
STL526520
Synonyms: N'-[(3E)-2-oxo-1-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]-2-({[(1E)-1-(thiophen-2-yl)ethylidene]amino}oxy)acetohydra
Smiles: O=C(N/N=C\1/C(=O)N(c2c1cccc2)CN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1)CO/N=C(/c1cccs1)\C
STL526521
Synonyms: 4-[(2-carboxyethyl)(hydroxy)phosphoryl]isovaline
Smiles: OC(=O)CCP(=O)(CCC(C(=O)O)(N)C)O
STL526522
Synonyms: 2-({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-(pyridin-3-ylmethyl)acetamide
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCc3cccnc3)/CC[C@]12C
STL526523
Synonyms: 1-(2-hydroxyphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccccc2O)C)cc2c1OCO2
STL526524
Synonyms: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methylbutan-2-ol
Smiles: COc1c2c(CCN(C2CC(C(C)C)O)C)cc2c1OCO2
STL526525
Synonyms: N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N([C@H]([C@H](c1ccccc1)O)C)C
STL526526
Synonyms: quinolin-6-yl[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone
Smiles: Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)C(=O)c1ccc2c(c1)cccn2
STL526527
Synonyms: (3alpha,5alpha,8xi,9xi,14xi)-3-chloroandrostan-17-one
Smiles: Cl[C@@H]1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C
STL526528
Synonyms: 7-hydroxy-4-methyl-8-[(2-methylpiperidin-1-yl)methyl]-2H-chromen-2-one
Smiles: CC1CCCCN1Cc1c(O)ccc2c1oc(=O)cc2C
STL526529
Synonyms: 3-methylbutyl2-{[3-(3-methylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate
Smiles: CC(CCOC(=O)C(Oc1ccc2c(c1)occ(c2=O)Oc1cccc(c1)C)C)C
STL526530
Synonyms: benzyl{1-oxo-1-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propan-2-yl}carbamate
Smiles: O=C(NC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C)OCc1ccccc1
STL526531
Synonyms: 6-(diphenylphosphoryl)norleucine
Smiles: OC(=O)C(CCCCP(=O)(c1ccccc1)c1ccccc1)N
STL526532
Synonyms: N-{(1Z)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C
STL526533
Synonyms: 5-(5-bromo-2-methoxybenzyl)-1,3-dimethyl-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1CC1(CN2CC3CC(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C)Br
STL526534
Synonyms: 4-phosphonoisovaline
Smiles: OC(=O)C(CCP(=O)(O)O)(N)C
STL526535
Synonyms: 2-amino-7-phosphonooctanedioicacid
Smiles: OC(=O)C(CCCCC(P(=O)(O)O)C(=O)O)N
STL526536
Synonyms: ethyl2-(difluoromethyl)-6,10-dimethoxy-4,5-dihydro-2,5-methanofuro[3,2-h][1,3]benzoxathiepine-4-carboxylate
Smiles: CCOC(=O)C1SC2(CC1c1c(O2)c(OC)c2c(c1OC)cco2)C(F)F
STL526537
Synonyms: ({1-[(benzyloxy)carbonyl]prolyl}amino)(phenyl)aceticacid
Smiles: O=C(N1CCCC1C(=O)NC(c1ccccc1)C(=O)O)OCc1ccccc1
STL526538
Synonyms: 2-amino-7-[hydroxy(2-phenylethyl)phosphoryl]heptanoicacid
Smiles: OC(=O)C(CCCCCP(=O)(CCc1ccccc1)O)N
STL526539
Synonyms: 5-(4-hydroxy-3-iodo-5-methoxybenzyl)-1,3-dimethyl-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(cc(c1O)I)CC1(CN2CC3CC(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
STL526540
Synonyms: methylN-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)COc1ccc2c(c1)oc(=O)cc2C
STL526541
Synonyms: N-[2-hydroxy-2-(6-methylpyridin-3-yl)ethyl]-2-({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetamide
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCC(c3ccc(nc3)C)O)/CC[C@]12C
STL526542
Synonyms: 4-[({1-[(benzyloxy)carbonyl]prolyl}amino)methyl]benzoicacid
Smiles: O=C(C1CCCN1C(=O)OCc1ccccc1)NCc1ccc(cc1)C(=O)O
STL526543
Synonyms: 6-[hydroxy(2-phenylethyl)phosphoryl]norleucine
Smiles: OC(=O)C(CCCCP(=O)(CCc1ccccc1)O)N
STL526544
Synonyms: methyl1-(4-{[(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)prolinate
Smiles: COC(=O)C1CCCN1C(=O)CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C
STL526545
Synonyms: 2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
Smiles: OCCC1CCCCN1CC(=O)c1c[nH]c2c1cc(OC)cc2
STL526546
Synonyms: 2-hydroxy-5,5-dimethyl-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3(2H)-one
Smiles: O=C1C(O)CC2N1C(C)(C)Cc1c2cccc1
STL526547
Synonyms: (8xi,9xi,14xi,16alpha,17xi,20E)-16-hydroxy-20-(hydroxyimino)-17-methoxypregn-5-en-3-ylacetate
Smiles: O/N=C(/C1(OC)[C@H](O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)\C
STL526548
Synonyms: (8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl4-{[2-hydroxy-2-(6-methylpyridin-3-yl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCC(c1ccc(nc1)C)O
STL526549
Synonyms: (2R)-2-amino-7-(diethoxyphosphoryl)heptanoicacid
Smiles: CCOP(=O)(OCC)CCCCC[C@H](C(=O)O)N
STL526550
Synonyms: 4-({1-[(benzyloxy)carbonyl]prolyl}amino)-3-phenylbutanoicacid
Smiles: OC(=O)CC(c1ccccc1)CNC(=O)C1CCCN1C(=O)OCc1ccccc1
STL526551
Synonyms: 4-{[(4-{[(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)amino]methyl}cyclohexanecarboxylicacid
Smiles: O=C(CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C)NCC1CCC(CC1)C(=O)O
STL526552
Synonyms: ethyl4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-oxobutanoate
Smiles: CCOC(=O)CC(=O)CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526553
Synonyms: methylN-(4-{[(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)-3-nitrotyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])O)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C
STL526554
Synonyms: 8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenyl-4H-chromen-4-one
Smiles: CCC1CCCCN1Cc1c(O)ccc2c1occ(c2=O)c1ccccc1
STL526555
Synonyms: 8-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-3-benzyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
Smiles: c1ccc(cc1)CN1CCn2c3C1CCCc3c1c2ccc(c1)C1=CN2CCC1CC2
STL526556
Synonyms: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)propan-2-ol
Smiles: COc1c2c(CCN(C2CC(O)C)C)cc2c1OCO2
STL526557
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccc3c(c2)OCCO3)C)cc2c1OCO2
STL526558
Synonyms: (8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl4-{[2-(4-hydroxyphenyl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C)NCCc1ccc(cc1)O
STL526559
Synonyms: (2alpha,3alpha,5alpha,8xi,9xi,14xi,16alpha,17alpha)-2,3:16,17-diepoxyandrostan-17-ylacetate
Smiles: CC(=O)O[C@@]12O[C@@H]1CC1[C@]2(C)CCC2C1CC[C@@H]1[C@]2(C)C[C@H]2O[C@H]2C1
STL526560
Synonyms: N-(phenylacetyl)-5-phosphononorvaline
Smiles: O=C(NC(C(=O)O)CCCP(=O)(O)O)Cc1ccccc1
STL526561
Synonyms: benzyl[2-oxo-2-({2-oxo-2-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}amino)ethyl]carbamate
Smiles: O=C(NCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CNC(=O)OCc1ccccc1
STL526562
Synonyms: benzyl{1-oxo-1-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-3-phenylpropan-2-yl}carbamate
Smiles: O=C(NC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1)OCc1ccccc1
STL526563
Synonyms: 4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline-5-carboxylicacid
Smiles: COc1c2c(CCN(C2C(=O)O)C)cc2c1OCO2
STL526564
Synonyms: 4-[(4-{[(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)amino]-2-hydroxy-3,3-dimethylbutanoicacid
Smiles: O=C(NCC(C(C(=O)O)O)(C)C)CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C
STL526565
Synonyms: alpha-{2-[(2-carboxyethyl)(hydroxy)phosphoryl]ethyl}phenylalanine
Smiles: OC(=O)CCP(=O)(CCC(C(=O)O)(Cc1ccccc1)N)O
STL526566
Synonyms: N-[(1S,5R)-2-acetyl-6,6-dimethylbicyclo[3.1.0]hex-2-en-3-yl]furan-2-carboxamide
Smiles: CC(=O)C1=C(C[C@@H]2[C@H]1C2(C)C)NC(=O)c1ccco1
STL526567
Synonyms: 4-[(4-{[(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)amino]-3-phenylbutanoicacid
Smiles: O=C(OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C)CCC(=O)NCC(c1ccccc1)CC(=O)O
STL526568
Synonyms: 3-(4-chlorophenyl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-4H-chromen-4-one
Smiles: CCC1CCCCN1Cc1c(O)ccc2c1occ(c2=O)c1ccc(cc1)Cl
STL526569
Synonyms: (2,6-dimethoxyphenyl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone
Smiles: COc1cccc(c1C(=O)n1nc(c2c1C[C@@H]1[C@H]2C1(C)C)C)OC
STL526570
Synonyms: furan-2-yl[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone
Smiles: Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)C(=O)c1ccco1
STL526571
Synonyms: N-(2-phenylquinazolin-4-yl)serine
Smiles: OCC(C(=O)O)Nc1nc(nc2c1cccc2)c1ccccc1
STL526572
Synonyms: N-[(1S,5R)-2-acetyl-6,6-dimethylbicyclo[3.1.0]hex-2-en-3-yl]quinoline-6-carboxamide
Smiles: CC(=O)C1=C(C[C@@H]2[C@H]1C2(C)C)NC(=O)c1ccc2c(c1)cccn2
STL526573
Synonyms: N-ethyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
Smiles: CCNC1CCCc2c1[nH]c1c2cc(cc1)C
STL526574
Synonyms: 3-(6-amino-8-bromo-3H-purin-3-yl)propane-1,2-diol
Smiles: OCC(Cn1cnc(c2c1nc(n2)Br)N)O
STL526575
Synonyms: (5alpha,8xi,9xi,14xi)-17-oxo-16-(piperidin-1-yl)androstan-3-ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC(C2=O)N1CCCCC1)C)C
STL526576
Synonyms: 6-ethyl-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-4-methyl-2H-chromen-2-one
Smiles: CCC1CCCCN1Cc1c(O)c(CC)cc2c1oc(=O)cc2C
STL526577
Synonyms: (1S,5S)-8-oxo-N-[4-(pentafluorophenoxy)phenyl]-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1ccc(cc1)Oc1c(F)c(F)c(c(c1F)F)F
STL526578
Synonyms: N-{(1Z)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}furan-2-carboxamide
Smiles: C/C(=C\1/C(=O)C[C@@H]2[C@H]1C2(C)C)/NC(=O)c1ccco1
STL526579
Synonyms: (12aS)-2-[2-(1H-indol-3-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CCc2c[nH]c3c2cccc3)CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL526580
Synonyms: 5-(4-hydroxy-3-methoxybenzyl)-1-(4-methoxyphenyl)-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(c(c1)OC)O
STL526581
Synonyms: N-{(1E)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}pyridine-2-carboxamide
Smiles: C/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/NC(=O)c1ccccn1
STL526582
Synonyms: 8-methoxy-4-methyl-3-[(1-oxo-1-phenylpropan-2-yl)oxy]-6H-benzo[c]chromen-6-one
Smiles: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OC(C(=O)c1ccccc1)C
STL526583
Synonyms: (8aS)-2-(4-methylbenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Smiles: Cc1ccc(cc1)CN1CC(=O)N2[C@H](C1=O)CCC2
STL526584
Synonyms: (5Z)-1-(4-chlorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)C)cc2c1OCO2
STL526585
Synonyms: (12aS)-2-[3-(dibutylamino)propyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCN(CCCC)CCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL526586
Synonyms: N-[4-(dimethylamino)benzyl]-N-{3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl}acetamide
Smiles: CC(Oc1ccc(cc1)C(c1ccccc1)CCN(C(=O)C)Cc1ccc(cc1)N(C)C)C
STL526587
Synonyms: (4aS,8aS)-1,4,6-trimethyl-5-(3,4,5-trimethoxyphenyl)hexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione
Smiles: COc1cc(cc(c1OC)OC)C1N(C)C(=O)N[C@@H]2[C@H]1C(C)NC(=O)N2C
STL526588
Synonyms: methylN-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-3-nitrotyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
STL526589
Synonyms: N-benzyl-N-{3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl}acetamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCN(C(=O)C)Cc1ccccc1
STL526590
Synonyms: 4-{[(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)amino]methyl}benzoicacid
Smiles: O=C(NCc1ccc(cc1)C(=O)O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL526591
Synonyms: (1S,5R)-3-[2-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-oxoethyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Cc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526592
Synonyms: (12bS)-2-[3-(diethylamino)propyl]-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: CCN(CCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)CC
STL526593
Synonyms: ethyl({[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}sulfanyl)acetate
Smiles: CCOC(=O)CSC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526594
Synonyms: 5-(2,4-dimethoxybenzyl)-1-(3-methoxyphenyl)-5-{[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(c(c1)OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1cccc(c1)OC
STL526596
Synonyms: 2-(4-chlorophenyl)-5-methyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)C2N(C1=O)C(C)c1c(C2)c2ccccc2[nH]1
STL526597
Synonyms: (8R,8aR,11aS,11bS)-8-acetyl-10-(4-acetylphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C
STL526598
Synonyms: 2-amino-2-{2-[hydroxy(2-phenylethyl)phosphoryl]ethyl}-3-methylbutanoicacid
Smiles: CC(C(C(=O)O)(CCP(=O)(CCc1ccccc1)O)N)C
STL526599
Synonyms: dimethyl{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl](phenyl)methyl}phosphonate
Smiles: COP(=O)(C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)c1ccccc1)OC
STL526600
Synonyms: (E)-N-(9,10-dimethoxy-3,3-dimethyl-1-oxo-1,2,3,4,6,7,11b,12-octahydro-13H-isoquino[2,1-a]quinolin-13-ylidene)glycine
Smiles: COc1cc2c(cc1OC)CCN1C2C/C(=N\CC(=O)O)/C2=C1CC(CC2=O)(C)C
STL526601
Synonyms: (12bS)-2-(5-hydroxypentyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: OCCCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL526602
Synonyms: (2E,2'Z)-2,2'-[(1E,2Z)-3,4,5,6-tetrahydroxyhexane-1,2-diylidene]dihydrazinecarboxamide(non-preferredname)
Smiles: NC(=O)N/N=C(\C(C(C(CO)O)O)O)/C=N/NC(=O)N
STL526603
Synonyms: ethyl2-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}benzoate
Smiles: CCOC(=O)c1ccccc1OCC#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526604
Synonyms: ethylbeta-hydroxy-N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)phenylalaninate
Smiles: CCOC(=O)C(C(c1ccccc1)O)NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL526605
Synonyms: (12aS)-6,6-dimethyl-2-(3-methylbutyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(CCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2)C
STL526606
Synonyms: (4-methoxyphenyl)[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetonitrile
Smiles: COc1ccc(cc1)C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C#N
STL526607
Synonyms: methyl(6S)-4,4-dimethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate
Smiles: COC(=O)[C@H]1NC(C)(C)c2c(C1)[nH]cn2
STL526608
Synonyms: N'-[(3E)-1-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-methoxybenzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C/1\c2ccccc2N(C1=O)CN1CCc2c([C@@H]1C)cc(c(c2)OC)OC
STL526609
Synonyms: ethyl3-[(4aR,6aS,6bS,7aR)-2-(acetyloxy)-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-b]oxiren-6b-yl]-3-hydroxybutanoate(non-preferredname)
Smiles: CCOC(=O)CC([C@@]12O[C@@H]1CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)C)(O)C
STL526610
Synonyms: N-(4-{[(8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)glycylvaline
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCC(=O)NC(C(=O)O)C(C)C
STL526611
Synonyms: (8xi,9xi,14xi,16xi,17xi)-26-(acetylamino)-16-methylfurosta-5,20(22)-dien-3-ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3(C2C(=C(O3)CCC(CNC(=O)C)C)C)C)C)C1)C
STL526612
Synonyms: 3-(2-methoxyphenyl)-N-(4-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propanamide
Smiles: COc1ccc(cc1)NC(=O)CC(c1ccccc1OC)c1ccc(cc1)OC(C)C
STL526613
Synonyms: (12aS)-6,6-dimethyl-2-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CCc2ccccc2)CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL526614
Synonyms: (8xi,9xi,14xi)-20-oxopregna-3,16-dien-3-yl3-(pyrrolidin-1-yl)propanoate
Smiles: O=C(OC1=CC2[C@@](CC1)(C)C1CC[C@]3(C(C1CC2)CC=C3C(=O)C)C)CCN1CCCC1
STL526615
Synonyms: prop-2-yn-1-yl[(5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetate
Smiles: C#CCOC(=O)CN1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1
STL526616
Synonyms: (8xi,9xi,14xi,16xi,17xi)-26-(acetylamino)-16-ethylfurosta-5,20(22)-dien-3-ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3(C2C(=C(O3)CCC(CNC(=O)C)C)C)CC)C)C1)C
STL526617
Synonyms: (3E,8aS)-3-benzylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Smiles: O=C1N/C(=C/c2ccccc2)/C(=O)N2[C@H]1CCC2
STL526618
Synonyms: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-(3-methoxyphenyl)urea
Smiles: COc1c2c(CCN(C2NC(=O)Nc2cccc(c2)OC)C)cc2c1OCO2
STL526619
Synonyms: (12aS)-6,6-dimethyl-2-propyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL526620
Synonyms: N~2~-{2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]propanoyl}-L-arginine
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)N[C@H](C(=O)O)CCCNC(=N)N)C
STL526621
Synonyms: (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(Cc2cccnc2)CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL526622
Synonyms: (1'R,3R,3'R)-1'-acetyl-3'-(pyridin-4-ylcarbonyl)-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3)c1ccncc1
STL526623
Synonyms: (12bS)-2-butyl-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL526624
Synonyms: (4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)(phenyl)acetonitrile
Smiles: N#CC(C1N(C)CCc2c1c(OC)c1c(c2)OCO1)c1ccccc1
STL526625
Synonyms: (3Z)-4-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pent-3-en-2-one
Smiles: COc1c2c(CCN(C2C/C(=C/C(=O)C)/O)C)cc2c1OCO2
STL526627
Synonyms: (8xi,14xi)-9-hydroxy-3-oxoandrosta-5,16-diene-17-carbonitrile
Smiles: N#CC1=CCC2[C@]1(C)CC[C@]1(C2CC=C2[C@]1(C)CCC(=O)C2)O
STL526628
Synonyms: tert-butyl[(12aS)-6,6-dimethyl-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]carbamate
Smiles: O=C(OC(C)(C)C)NN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL526629
Synonyms: (12bS)-2-[2-(4-methoxyphenyl)ethyl]-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(cc1)CCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL526630
Synonyms: 6-hydroxy-5-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)acetyl]-1-(2-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione
Smiles: COc1c2c(CCN(C2CC(=O)c2c(=O)[nH]c(=O)n(c2O)c2ccccc2OC)C)cc2c1OCO2
STL526631
Synonyms: methyl2-acetyl-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: COC(=O)C1Cc2c(C(N1C(=O)C)c1ccc(c(c1)OC)OC)[nH]c1c2cccc1
STL526632
Synonyms: 5-chloro-2-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}benzaldehyde
Smiles: O=Cc1cc(Cl)ccc1OCC#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526633
Synonyms: N-(4-{[(8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-beta-hydroxyphenylalanine
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC(C(c1ccccc1)O)C(=O)O
STL526634
Synonyms: 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-phenylethanol
Smiles: COc1c2c(CCN(C2CC(c2ccccc2)O)C)cc2c1OCO2
STL526635
Synonyms: (5alpha,8xi,9xi,14xi)-17-oxoandrostan-3-ylhexanoate
Smiles: CCCCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C
STL526636
Synonyms: ethyl5-fluoro-3-({[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c([C@@H]1C)cc(c(c3)O)OC)cc(cc2)F
STL526637
Synonyms: 4-tert-butyl-N-{[(5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}benzamide
Smiles: S=C(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)NC(=O)c1ccc(cc1)C(C)(C)C
STL526638
Synonyms: 4-oxo-4-{[(5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-yl]oxy}butanoicacid
Smiles: O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C)CCC(=O)O
STL526639
Synonyms: (5alpha,8xi,9xi,14xi)-17-oxoandrostan-3-ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C
STL526640
Synonyms: methyl2-acetyl-1-(2-bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: COC(=O)C1Cc2c(C(N1C(=O)C)c1ccccc1Br)[nH]c1c2cccc1
STL526641
Synonyms: 1-(2,5-dimethoxyphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol
Smiles: COc1ccc(c(c1)C(CC1N(C)CCc2c1c(OC)c1c(c2)OCO1)O)OC
STL526642
Synonyms: 2-[4-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)phenoxy]acetamide
Smiles: NC(=O)COc1ccc(cc1)C1NCCc2c1[nH]c1c2cccc1
STL526643
Synonyms: (1S,5R)-3-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: COc1ccc2c(c1)c(c[nH]2)C(=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526644
Synonyms: 5-[4-(benzyloxy)benzyl]-5-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)CC1(Cc2ccc(cc2)OCc2ccccc2)C(=O)N(C)C(=O)N(C1=O)C
STL526645
Synonyms: 1-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-3-ethylurea
Smiles: CCNC(=O)NC1OC(=O)c2c1ccc(c2OC)OC
STL526646
Synonyms: 4-acetyl-3-hydroxy-5-phenylfuran-2(5H)-one
Smiles: CC(=O)C1=C(O)C(=O)OC1c1ccccc1
STL526649
Synonyms: (2-hydroxyphenyl)[2-(pyridin-3-yl)piperidin-1-yl]acetonitrile
Smiles: N#CC(c1ccccc1O)N1CCCCC1c1cccnc1
STL526650
Synonyms: (1'R,3R,3'R)-1'-acetyl-3'-[(4-pentylphenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: CCCCCc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3
STL526651
Synonyms: (12bS)-2-(2-methoxybenzyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccccc1CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL526652
Synonyms: 6-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoicacid
Smiles: COc1cc(ccc1OC)C1N(CCCCCC(=O)O)C(=O)C(=C1C(=O)C)O
STL526653
Synonyms: N'-[(3Z)-5-bromo-1-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-3,4-dimethoxybenzohydrazide
Smiles: COc1cc(ccc1OC)C(=O)N/N=C\1/c2cc(Br)ccc2N(C1=O)CN1CCc2c([C@@H]1C)cc(c(c2)OC)OC
STL526654
Synonyms: (1'R,3R,3'R)-1'-acetyl-3'-[(4-propylphenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: CCCc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3
STL526655
Synonyms: N-[2-(3,4-dihydroxyphenyl)ethyl]-2-({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetamide
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCCc3ccc(c(c3)O)O)/CC[C@]12C
STL526656
Synonyms: 1-{[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]methyl}naphthalen-2-ol
Smiles: Oc1ccc2c(c1CN1C[C@]3(C[C@H]1CC(C3)(C)C)C)cccc2
STL526657
Synonyms: 1-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1COc1ccc(cc1)Cl)C1NCCc2c1[nH]c1c2cccc1
STL526658
Synonyms: methyl(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetate
Smiles: COC(=O)CN1CCn2c3C1CCCc3c1c2ccc(c1)C
STL526659
Synonyms: (12aS)-2-cyclopentyl-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C)C1CCCC1
STL526660
Synonyms: (8xi,9xi,14xi)-17-oxoandrost-5-en-3-yl3-(pyrrolidin-1-yl)propanoate
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2=O)C)C1)C)CCN1CCCC1
STL526661
Synonyms: 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccc3c(c2)CCCC3)C)cc2c1OCO2
STL526663
Synonyms: 4-{[(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]methyl}benzoicacid
Smiles: O=C(NCc1ccc(cc1)C(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
STL526664
Synonyms: (1R,5S)-8-oxo-N-(prop-2-en-1-yl)-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: C=CCNC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526665
Synonyms: (12aS)-6,6-dimethyl-2-[3-(morpholin-4-yl)propyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CCCN2CCOCC2)CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL526666
Synonyms: 1,2,3,9,10-pentamethoxy-5H-isoindolo[2,1-a][3,1]benzoxazine-5,11(6aH)-dione
Smiles: COc1cc2C(=O)OC3N(c2c(c1OC)OC)C(=O)c1c3ccc(c1OC)OC
STL526668
Synonyms: (12aS)-2-cyclohexyl-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C)C1CCCCC1
STL526669
Synonyms: (8xi,9xi,14xi,16xi,17xi)-26-(acetylamino)-16-ethylfurosta-5,20(22)-dien-3-ylpropanoate
Smiles: CCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3(C2C(=C(O3)CCC(CNC(=O)C)C)C)CC)C)C1)C
STL526670
Synonyms: (8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl4-{[2-(1H-indol-3-yl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCc1c[nH]c2c1cccc2
STL526671
Synonyms: N-[2-(3,4-dihydroxyphenyl)ethyl]-2-({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide
Smiles: O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C)NCCc1ccc(c(c1)O)O
STL526672
Synonyms: 3-[3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoicacid
Smiles: COc1ccc(c(c1)OC)C1C(=C(C(=O)N1c1cccc(c1)C(=O)O)O)C(=O)C
STL526673
Synonyms: (8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-ylmethanesulfonate
Smiles: O=C1C=C[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)COS(=O)(=O)C)C)C
STL526674
Synonyms: (12bS)-12b-methyl-2-(2-methylpropyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C
STL526675
Synonyms: (1'R,3R,3'R)-1'-acetyl-3'-[(3-methoxyphenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3
STL526677
Synonyms: (12aS)-6,6-dimethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C)C1CC(C)(C)NC(C1)(C)C
STL526678
Synonyms: methyl4-{[2,4-dichloro-5,5-dimethoxy-3-oxo-4-(prop-2-en-1-yl)cyclopent-1-en-1-yl]amino}butanoate
Smiles: COC1(OC)C(=C(C(=O)C1(Cl)CC=C)Cl)NCCCC(=O)OC
STL526679
Synonyms: 1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1cc(ccc1OC)C1NCCc2c1[nH]c1c2cccc1
STL526680
Synonyms: N-[4-({5-[6-(benzyloxy)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]-2-methoxybenzyl}oxy)phenyl]acetamide
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1
STL526681
Synonyms: (3bS,4aR)-N,3,4,4-tetramethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
Smiles: CNC(=S)n1nc(c2c1C[C@@H]1[C@H]2C1(C)C)C
STL526682
Synonyms: 5-[4-(benzyloxy)-3-methoxybenzyl]-5-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(ccc1OCc1ccccc1)CC1(CN2CCc3c([C@@H]2C)cc(c(c3)OC)OC)C(=O)N(C)C(=O)N(C1=O)C
STL526684
Synonyms: 4-[(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)amino]-3-phenylbutanoicacid
Smiles: O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCC(c1ccccc1)CC(=O)O
STL526685
Synonyms: (8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-oxo-4-[(pyridin-2-ylmethyl)amino]butanoate
Smiles: O=C(NCc1ccccn1)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
STL526687
Synonyms: ({[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}sulfanyl)aceticacid
Smiles: OC(=O)CSC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526688
Synonyms: 2-({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-{2-[4-phenyl-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethyl}acetamide
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCCC3(CCOC(C3)C(C)C)c3ccccc3)/CC[C@]12C
STL526689
Synonyms: (1Z)-N-hydroxy-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-methylphenyl)ethanimine
Smiles: O/N=C(\c1ccc(cc1)C)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526690
Synonyms: methyl2-acetyl-1-(3-bromophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: COC(=O)C1Cc2c(C(N1C(=O)C)c1cccc(c1)Br)[nH]c1c2cccc1
STL526691
Synonyms: (12aS)-2-[3-(diethylamino)propyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCN(CCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2)CC
STL526692
Synonyms: N-[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]-2-({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetamide
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCCC3(CCOC(C3)(C)C)c3ccccc3)/CC[C@]12C
STL526693
Synonyms: N-{(1Z)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}-2-(3,4,5-trimethoxyphenyl)acetamide
Smiles: COc1cc(CC(=O)N/C(=C/2\C(=O)C[C@@H]3[C@H]2C3(C)C)/C)cc(c1OC)OC
STL526694
Synonyms: {[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl](methyl)amino}(4-methoxyphenyl)acetonitrile
Smiles: COc1ccc(cc1)C(N([C@@H]([C@@H](c1ccccc1)O)C)C)C#N
STL526695
Synonyms: (8xi,9xi,14xi,16xi,17xi,22alpha)-28-acetylspirosol-5-en-3-ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2[C@H](C)[C@]2(O3)CCC(CN2C(=O)C)C)C)C1)C
STL526697
Synonyms: N-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]alanylnorleucine
Smiles: CCCCC(C(=O)O)NC(=O)C(NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C)C
STL526698
Synonyms: (12aS)-2-(2-methoxybenzyl)-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccccc1CN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL526699
Synonyms: methyl3-({[2-(2-hydroxyethyl)piperidin-1-yl]acetyl}amino)-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: OCCC1CCCCN1CC(=O)Nc1c([nH]c2c1cc(OC)c(c2)OC)C(=O)OC
STL526700
Synonyms: (2-phenylquinolin-4-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone
Smiles: Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)C(=O)c1cc(nc2c1cccc2)c1ccccc1
STL526701
Synonyms: 3-(benzylamino)-2,5-dichloro-4,4-dimethoxy-5-(prop-2-en-1-yl)cyclopent-2-en-1-one
Smiles: COC1(OC)C(=C(C(=O)C1(Cl)CC=C)Cl)NCc1ccccc1
STL526703
Synonyms: (12bS)-12b-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(C2CC(C)(C)NC(C2)(C)C)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C
STL526704
Synonyms: [4-(dimethylamino)phenyl][(5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetonitrile
Smiles: N#CC(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)c1ccc(cc1)N(C)C
STL526705
Synonyms: 3-[6-(benzyloxy)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol
Smiles: Oc1cccc(c1)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1
STL526706
Synonyms: 2-({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-(pyridin-4-ylmethyl)acetamide
Smiles: O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C)NCc1ccncc1
STL526707
Synonyms: (12bS)-2-[3-(dibutylamino)propyl]-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCN(CCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)CCCC
STL526708
Synonyms: 5-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-5-(4-ethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1ccc(cc1)CC1(CN2CCc3c([C@@H]2C)cc(c(c3)OC)OC)C(=O)N(C)C(=O)N(C1=O)C
STL526709
Synonyms: (5S)-3-{[5-methyl-2-(propan-2-yl)phenoxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Cc1ccc(c(c1)OCC(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)C(C)C
STL526710
Synonyms: methyl3-({[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c([C@@H]1C)cc(c(c3)O)OC)cc(cc2)C
STL526711
Synonyms: (3S,6E)-3-methyl-6-(4-methylbenzylidene)piperazine-2,5-dione
Smiles: O=C1N/C(=C/c2ccc(cc2)C)/C(=O)N[C@H]1C
STL526713
Synonyms: methyl1-methyl-2-(phenylcarbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: COC(=O)C1Cc2c(C(N1C(=O)c1ccccc1)C)[nH]c1c2cccc1
STL526714
Synonyms: (8R,8aS,11aR,11bR)-10-(1,3-benzodioxol-5-yl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@H]1[C@H]2C(=O)N(C(=O)[C@H]2[C@H]2N1C=Cc1c2cccc1)c1ccc2c(c1)OCO2)c1ccccc1
STL526715
Synonyms: 1-(4-ethylphenyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cc(OC)c(c(c1)OC)OC
STL526716
Synonyms: methyl5-bromo-3-({[(5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1C[C@H]3CC(C1)c1n(C3)c(=O)ccc1)cc(cc2)Br
STL526717
Synonyms: (2R,6S)-2-methyl-5-(morpholin-4-ylcarbonyl)-3-(prop-2-en-1-yl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Smiles: C=CCN1C(=O)C(C(=O)N2CCOCC2)[C@H]2C[C@@]1(C)Oc1c2cccc1
STL526718
Synonyms: (11aS)-2-cyclohexyl-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: O=C1N(C2CCCCC2)C(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL526719
Synonyms: 6-[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]hexanoicacid
Smiles: COc1cc(ccc1O)C1N(CCCCCC(=O)O)C(=O)C(=C1C(=O)c1ccccc1)O
STL526720
Synonyms: 1,3-bis(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)propan-2-one
Smiles: COc1c2c(CCN(C2CC(=O)CC2N(C)CCc3c2c(OC)c2c(c3)OCO2)C)cc2c1OCO2
STL526721
Synonyms: 4-methyl-3-({[(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]carbonyl}amino)benzoicacid(non-preferredname)
Smiles: O=C([C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)Nc1cc(ccc1C)C(=O)O
STL526722
Synonyms: (5alpha,8xi,9xi,14xi,16xi,17xi)-26-(acetyloxy)furost-20(22)-en-3-ylbenzoate
Smiles: CC(CCC1=C(C)C2C(O1)CC1[C@]2(C)CCC2C1CC[C@@H]1[C@]2(C)CCC(C1)OC(=O)c1ccccc1)COC(=O)C
STL526723
Synonyms: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-(3-methylphenyl)urea
Smiles: COc1c2c(CCN(C2NC(=O)Nc2cccc(c2)C)C)cc2c1OCO2
STL526724
Synonyms: (5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-yldecanoate
Smiles: CCCCCCCCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C
STL526726
Synonyms: (3S,11E)-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-14,16-diyldibenzoate
Smiles: O=C1CCC/C=C/c2cc(cc(c2C(=O)O[C@H](CCC1)C)OC(=O)c1ccccc1)OC(=O)c1ccccc1
STL526727
Synonyms: 1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])C1NCCc2c1[nH]c1c2cccc1
STL526728
Synonyms: (1S,5R)-3-[2-(2,6-dimethyl-1H-indol-3-yl)-2-oxoethyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C
STL526729
Synonyms: (12aS)-2-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(cc1)CCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL526730
Synonyms: (8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl4-{[2-(3,4-dihydroxyphenyl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(c(c1)O)O
STL526731
Synonyms: (3E,6S)-3-(3-methylbenzylidene)-6-(2-methylpropyl)piperazine-2,5-dione
Smiles: CC(C[C@@H]1NC(=O)/C(=C\c2cccc(c2)C)/NC1=O)C
STL526732
Synonyms: (1'R,3R,3'R)-1'-[(4-bromophenyl)carbonyl]-3'-[(3,4,5-trimethoxyphenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1c(OC)cc(cc1OC)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Br)cccc3
STL526733
Synonyms: (8xi,9xi,14xi)-17-oxoandrost-5-en-3-yl3-(piperidin-1-yl)propanoate
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2=O)C)C1)C)CCN1CCCCC1
STL526734
Synonyms: (12bS)-2-(3-hydroxypropyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: OCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL526735
Synonyms: (12aS)-6,6-dimethyl-2-(prop-2-en-1-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: C=CCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL526736
Synonyms: 1-(1-benzofuran-2-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2cc3c(o2)cccc3)C)cc2c1OCO2
STL526737
Synonyms: ethyl2-({5-[6-(benzyloxy)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]-2-methoxybenzyl}oxy)benzoate
Smiles: CCOC(=O)c1ccccc1OCc1cc(ccc1OC)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1
STL526738
Synonyms: (1'R,3R,3'R)-1'-acetyl-3'-[(3-nitrophenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3)c1cccc(c1)[N+](=O)[O-]
STL526739
Synonyms: methyl1-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: COC(=O)C1NC(c2ccc(c(c2)COc2ccccc2F)OC)c2c(C1)c1ccccc1[nH]2
STL526740
Synonyms: (12aS)-6,6-dimethyl-2-pentyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL526741
Synonyms: 3-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
Smiles: C1CCN(C(C1)c1cccnc1)Cc1ccc2c(c1)OCO2
STL526742
Synonyms: 2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CN2CCn3c4C2CCCc4c2c3ccc(c2)C)cc(c1OC)OC
STL526743
Synonyms: 2-[(phenylacetyl)amino]-8-phosphonooctanoicacid
Smiles: O=C(NC(C(=O)O)CCCCCCP(=O)(O)O)Cc1ccccc1
STL526744
Synonyms: 5-[4-(2-hydroxy-2-phenylethoxy)benzyl]-1,3-dimethyl-5-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: OC(c1ccccc1)COc1ccc(cc1)CC1(CN2C[C@@H]3C[C@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
STL526745
Synonyms: (7aR)-6-(4-methoxyphenyl)-3,3-dimethyl-1H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2N(C1=O)C(SC2)(C)C
STL526746
Synonyms: methyl(5Z)-5-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)/C(=C\NCCc2ccc(c(c2)OC)OC)/C(=O)CC1(C)C
STL526747
Synonyms: 5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1ccc(cc1)C(C)C
STL526748
Synonyms: (3aR,5S,5aR,8aS,8bR)-N-(3-chloro-4-methylphenyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: O=C([C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)Nc1ccc(c(c1)Cl)C
STL526749
Synonyms: (12bS)-12b-methyl-2-(3-methylbutyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(CCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C
STL526750
Synonyms: 1-{4-methoxy-3-[(2,4,6-tribromophenoxy)methyl]phenyl}-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1COc1c(Br)cc(cc1Br)Br)C1NCCc2c1[nH]c1c2cccc1
STL526751
Synonyms: (12bS)-12b-methyl-2-[2-(morpholin-4-yl)ethyl]-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(CCN2CCOCC2)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C
STL526752
Synonyms: (3S,6E)-3-(2-methylpropyl)-6-(naphthalen-1-ylmethylidene)piperazine-2,5-dione
Smiles: CC(C[C@@H]1NC(=O)/C(=C\c2cccc3c2cccc3)/NC1=O)C
STL526753
Synonyms: (8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutanoate
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)ON1C(=O)CCC1=O
STL526754
Synonyms: 5,5-dimethyl-2-(1-phenylethyl)-1,2-oxazinane-3,4-dione
Smiles: CC(N1OCC(C(=O)C1=O)(C)C)c1ccccc1
STL526755
Synonyms: (12aS)-6,6-dimethyl-2-[2-(morpholin-4-yl)ethyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CCN2CCOCC2)CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL526757
Synonyms: (12aS)-2-(4-methoxybenzyl)-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(cc1)CN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL526758
Synonyms: (11aS)-2-benzyl-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: O=C1N(Cc2ccccc2)C(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL526759
Synonyms: (8aS)-2-(2-phenylethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Smiles: O=C1N(CCc2ccccc2)CC(=O)N2[C@H]1CCC2
STL526760
Synonyms: methyl1-[4-methoxy-3-({4-[(2-methylpropoxy)carbonyl]phenoxy}methyl)phenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: COC(=O)C1NC(c2ccc(c(c2)COc2ccc(cc2)C(=O)OCC(C)C)OC)c2c(C1)c1ccccc1[nH]2
STL526761
Synonyms: (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: Cc1ccc(cc1)CN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL526762
Synonyms: 4-methoxy-6-methyl-5-(2,4,6-trinitrobenzyl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2c(CCN(C2Cc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C)cc2c1OCO2
STL526763
Synonyms: methylN-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-3-hydroxytyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)O)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
STL526764
Synonyms: N-{(7S)-1,2,3-trimethoxy-10-[(3-methoxypropyl)amino]-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide
Smiles: COCCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
STL526765
Synonyms: (6aR,6bS,9aR,10S)-8-(4-methylphenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)N
STL526766
Synonyms: (12bS)-12b-methyl-2-(tetrahydrofuran-2-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(CC2CCCO2)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C
STL526767
Synonyms: N-(4-{[(8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-beta-hydroxy-3-nitrophenylalanine
Smiles: O=C(NC(C(c1cccc(c1)[N+](=O)[O-])O)C(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C
STL526768
Synonyms: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-nonylurea
Smiles: CCCCCCCCCNC(=O)NC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526769
Synonyms: 2-hydroxy-4-{[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}-3,3-dimethylbutanoicacid
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCC(C(C(=O)O)O)(C)C)/CC[C@]12C
STL526770
Synonyms: methylN-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate
Smiles: COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)NCc1ccc(c(c1)OC)OC
STL526771
Synonyms: (5R)-N-(naphthalen-1-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Smiles: S=C(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)Nc1cccc2c1cccc2
STL526772
Synonyms: 1-(2-bromophenyl)-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)urea
Smiles: COc1c2c(CCN(C2NC(=O)Nc2ccccc2Br)C)cc2c1OCO2
STL526773
Synonyms: 3-methoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}benzaldehyde
Smiles: COc1cc(C=O)ccc1OCC#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526774
Synonyms: methylN-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C
STL526775
Synonyms: [(5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl](phenyl)acetonitrile
Smiles: N#CC(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)c1ccccc1
STL526776
Synonyms: (1'R,3R,3'R)-1'-acetyl-3'-(thiophen-2-ylcarbonyl)-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: CC(=O)[C@@H]1N2c3ccccc3C=CC2[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1cccs1
STL526777
Synonyms: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-(2-methoxyphenyl)urea
Smiles: COc1c2c(CCN(C2NC(=O)Nc2ccccc2OC)C)cc2c1OCO2
STL526778
Synonyms: [1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl](furan-2-yl)methanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)c1ccco1
STL526779
Synonyms: N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methoxy}tetrahydro-2H-pyran-3-yl]acetamide(non-
Smiles: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H]3OC(O[C@@H]3[C@@H]3[C@H]2OC(O3)(C)C)(C)C)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
STL526780
Synonyms: (12bS)-2-(2-chlorobenzyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: Clc1ccccc1CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL526781
Synonyms: (8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-({2-[4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethyl}amino)-4-oxobutanoate
Smiles: COc1ccc(cc1)C1(CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CCC3[C@]2(C)C[C@H](O)C2C3CCC3=CC(=O)CC[C@]23C)CC(C)N(CC1C)C
STL526782
Synonyms: 5-(3,5-dibromo-2-methoxybenzyl)-1,3-dimethyl-5-{[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1c(Br)cc(cc1CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C)Br
STL526783
Synonyms: (1S,5S)-3-(5-{(E)-[(8-chloro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}-2-methoxybenzyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: COc1ccc(cc1CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl
STL526784
Synonyms: 3-chloro-9,10-dimethoxy-5H-isoindolo[2,1-a][3,1]benzoxazine-5,11(6aH)-dione
Smiles: COc1ccc2c(c1OC)C(=O)N1C2OC(=O)c2c1ccc(c2)Cl
STL526785
Synonyms: (1'R,3R,3'R)-1'-acetyl-3'-(pyridin-3-ylcarbonyl)-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3)c1cccnc1
STL526786
Synonyms: 1,3-dimethyl-5-(naphthalen-1-ylmethyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2
STL526787
Synonyms: (8xi,9xi,14xi,16alpha)-17-(acetylamino)androst-5-ene-3,16-diyldipropanoate
Smiles: CCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H](C2NC(=O)C)OC(=O)CC)C)C1)C
STL526788
Synonyms: (1S,5R)-3-acryloyl-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: C=CC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526789
Synonyms: (7S)-1,2,3-trimethoxy-7-(methylamino)-10-[(6-methylheptan-2-yl)amino]-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NC(CCCC(C)C)C)c(OC)c(c(c2)OC)OC
STL526790
Synonyms: methyl4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
Smiles: COC(=O)C1Cc2nc[nH]c2C(N1)c1ccc(c(c1OC)OC)OC
STL526791
Synonyms: (5Z)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-1-(3-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cccc(c1)N1C(=O)NC(=O)/C(=C/NCC2N(C)CCc3c2c(OC)c2c(c3)OCO2)/C1=O
STL526792
Synonyms: 5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1cccc(c1)C(F)(F)F
STL526793
Synonyms: 1-[3-methoxy-4-(propan-2-yloxy)phenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylicacid
Smiles: COc1cc(ccc1OC(C)C)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O
STL526795
Synonyms: (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(Cc2ccncc2)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C
STL526796
Synonyms: 5-(2,4-dimethoxybenzyl)-5-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(c(c1)OC)CC1(CN2CCc3c([C@@H]2C)cc(c(c3)OC)OC)C(=O)N(C)C(=O)N(C1=O)C
STL526797
Synonyms: (8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-oxo-4-({2-[4-phenyl-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethyl}amino)butanoate
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCC1(CCOC(C1)C(C)C)c1ccccc1
STL526798
Synonyms: N-[4-(dimethylamino)benzyl]-N-{3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl}propanamide
Smiles: CCC(=O)N(Cc1ccc(cc1)N(C)C)CCC(c1ccccc1OC)c1ccc(cc1)OC(C)C
STL526799
Synonyms: N-{(E)-[3-(methoxycarbonyl)-4,4-dimethyl-2,6-dioxocyclohexylidene]methyl}glycine
Smiles: COC(=O)C1C(=O)/C(=C/NCC(=O)O)/C(=O)CC1(C)C
STL526800
Synonyms: propan-2-yl2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoate
Smiles: CC(OC(=O)C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C)C
STL526801
Synonyms: (8xi,9xi,14xi,16xi,17xi)-26-(acetylamino)furosta-5,20(22)-dien-3-yl4-methylpentanoate
Smiles: CC(CCC1=C(C)C2C(O1)CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)CCC(C)C)CNC(=O)C
STL526802
Synonyms: [1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl](thiophen-2-yl)methanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)c1cccs1
STL526803
Synonyms: N-[(benzyloxy)carbonyl]glycylglycyltryptophan
Smiles: O=C(CNC(=O)OCc1ccccc1)NCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2
STL526804
Synonyms: (5S)-5-(1H-indol-3-ylmethyl)-3-(4-methoxyphenyl)imidazolidine-2,4-dione
Smiles: COc1ccc(cc1)N1C(=O)N[C@H](C1=O)Cc1c[nH]c2c1cccc2
STL526805
Synonyms: (6aR,6bS,9aR,10S)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3
STL526806
Synonyms: 4-({(4aS,6aS,12aS)-8-[4-(acetyloxy)butyl]-4a,6a,7-trimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12,12a-hexadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-2-yl}oxy)-4-oxobutanoicacid(non-prefer
Smiles: O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC1C2C(=C(O1)CCCCOC(=O)C)C)C)C)CCC(=O)O
STL526807
Synonyms: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]ethanone
Smiles: COc1cc2c(cc1O)CCN([C@H]2C)CC(=O)c1c(C)[nH]c2c1ccc(c2)C
STL526808
Synonyms: (11aS)-5,5-dimethyl-2-phenyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL526809
Synonyms: 5-(2,4-dichlorobenzyl)-1,3-dimethyl-5-{[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Clc1ccc(c(c1)Cl)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
STL526810
Synonyms: (8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutanoate
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)ON1C(=O)CCC1=O
STL526812
Synonyms: 5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzyl}-1,3-dimethyl-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(ccc1OCc1ccc(cc1)F)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
STL526813
Synonyms: (5Z)-1-(3-chlorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)Cl)C)cc2c1OCO2
STL526814
Synonyms: N-[(7S)-1,2,3-trimethoxy-10-{methyl[2-(pyridin-2-yl)ethyl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N(CCc2ccccn2)C)NC(=O)C)cc(c1OC)OC
STL526815
Synonyms: 3-({[(1R,3S)-2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]methyl}amino)cyclohex-2-en-1-one
Smiles: CC(C[C@H]1[C@H](C1(C)C)CNC1=CC(=O)CCC1)C
STL526816
Synonyms: ({[(3E,8xi,9xi,14xi)-17-(acetyloxy)-20-oxopregn-4-en-3-ylidene]amino}oxy)aceticacid
Smiles: OC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)C
STL526817
Synonyms: benzyl3-O-acetyl-2-(acetylamino)-2-deoxy-6-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-alpha-D-galactopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H]([C@H]([C@H]2O)OC(=O)C)NC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C
STL526818
Synonyms: tert-butyl[(12bS)-12b-methyl-1,4-dioxo-3,4,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indol-2(1H)-yl]carbamate
Smiles: O=C(OC(C)(C)C)NN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL526819
Synonyms: 1-(4-ethoxyphenyl)-5-(4-methoxybenzyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)OC
STL526820
Synonyms: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,3-dimethylbutan-2-one
Smiles: COc1c2c(CCN(C2CC(=O)C(C)(C)C)C)cc2c1OCO2
STL526821
Synonyms: (5R)-3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylicacid
Smiles: O=C1O[C@]2(C[C@H]1C(C(=O)O)C(C2)C)C
STL526822
Synonyms: (4bS,5aR)-4,5,5-trimethyl-2-(4-nitrophenyl)-4b,5,5a,6-tetrahydrocyclopropa[3,4]cyclopenta[1,2-d]pyrimidine
Smiles: Cc1nc(nc2c1[C@H]1[C@@H](C2)C1(C)C)c1ccc(cc1)[N+](=O)[O-]
STL526823
Synonyms: (6aR,6bS,9aR,10S)-10-acetyl-8-(4-acetylphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)C
STL526824
Synonyms: 1-(9H-carbazol-9-yl)propane-1,3-diol
Smiles: OCCC(n1c2ccccc2c2c1cccc2)O
STL526825
Synonyms: (2R,3S,4R,5R,6R)-5-(acetylamino)-2-[(acetyloxy)methyl]-6-{[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methoxy}tetrahydro-2H-pyran-3,4-diyldiacetat
Smiles: CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H]3OC(O[C@@H]3[C@@H]3[C@H]2OC(O3)(C)C)(C)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C
STL526826
Synonyms: 5-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzyl]-3-phenyl-2-thioxoimidazolidin-4-one
Smiles: O=C1C(NC(=S)N1c1ccccc1)Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O
STL526827
Synonyms: N-[(benzyloxy)carbonyl]glycylalanylnorleucine
Smiles: CCCCC(C(=O)O)NC(=O)C(NC(=O)CNC(=O)OCc1ccccc1)C
STL526828
Synonyms: (11aS)-2-(3,4-dimethoxybenzyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: COc1ccc(cc1OC)CN1C(=O)[C@H]2N(C1=O)C(C)(C)c1c(C2)c2ccccc2[nH]1
STL526829
Synonyms: (8R,8aR,11aS,11bS)-8-acetyl-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: CC(=O)[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc2c(c1)OCCO2
STL526830
Synonyms: 4-[3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoicacid
Smiles: COc1ccc(cc1)C1C(=C(C(=O)N1c1ccc(cc1)C(=O)O)O)C(=O)C
STL526831
Synonyms: 9,10-dimethoxy-2-methyl-1,2,3,6,7,11b-hexahydro-4H-pyrimido[6,1-a]isoquinoline-4-thione
Smiles: COc1cc2c(cc1OC)CCN1C2CC(C)NC1=S
STL526832
Synonyms: (8-bromo-4-methyl-2,3-dihydrofuro[3,2-c]quinolin-2-yl)methanol
Smiles: Cc1nc2ccc(cc2c2c1CC(O2)CO)Br
STL526833
Synonyms: (5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-yl3-(pyrrolidin-1-yl)propanoate
Smiles: O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C)CCN1CCCC1
STL526834
Synonyms: (7S)-1,2,3-trimethoxy-10-[(3-methoxypropyl)amino]-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Smiles: COCCCNc1ccc2c(cc1=O)[C@@H](NC)CCc1c2c(OC)c(c(c1)OC)OC
STL526835
Synonyms: 5-(4-chlorobenzyl)-1,3-dimethyl-5-{[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Clc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
STL526836
Synonyms: 5-(2,6-dichlorobenzyl)-1,3-dimethyl-5-{[(5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)Cc1c(Cl)cccc1Cl
STL526837
Synonyms: (8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutanoate
Smiles: O=C(OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)CCC(=O)ON1C(=O)CCC1=O
STL526838
Synonyms: 2,4-diacetyl-5-hydroxy-5-methyl-3-[(E)-2-phenylethenyl]cyclohexanone
Smiles: CC(=O)C1C(=O)CC(C(C1/C=C/c1ccccc1)C(=O)C)(C)O
STL526839
Synonyms: methyl3-hydroxy-N-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]tyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)O)O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C
STL526840
Synonyms: 2,5-dichloro-3-[(2-hydroxyethyl)amino]-4,4-dimethoxy-5-(prop-2-en-1-yl)cyclopent-2-en-1-one
Smiles: OCCNC1=C(Cl)C(=O)C(C1(OC)OC)(Cl)CC=C
STL526842
Synonyms: 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-nitrophenyl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccc(cc2)[N+](=O)[O-])C)cc2c1OCO2
STL526843
Synonyms: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-phenylurea
Smiles: COc1c2c(CCN(C2NC(=O)Nc2ccccc2)C)cc2c1OCO2
STL526844
Synonyms: N'-[(E)-(2-hydroxyphenyl)methylidene]-4-[5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1H-tetrazol-1-yl]benzohydrazide
Smiles: COc1c2OCOc2cc2c1C(N(CC2)C)c1nnnn1c1ccc(cc1)C(=O)N/N=C/c1ccccc1O
STL526845
Synonyms: 5-(3-bromo-4-hydroxy-5-methoxybenzyl)-1,3-dimethyl-5-{[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(cc(c1O)Br)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
STL526846
Synonyms: ethylbeta-hydroxy-N-[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]phenylalaninate
Smiles: CCOC(=O)C(C(c1ccccc1)O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL526847
Synonyms: (5Z)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-1-(3-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)C)C)cc2c1OCO2
STL526848
Synonyms: (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
Smiles: Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)C(=S)NCc1ccccc1
STL526849
Synonyms: 2-[(phenylacetyl)amino]-7-phosphonoheptanoicacid
Smiles: O=C(NC(C(=O)O)CCCCCP(=O)(O)O)Cc1ccccc1
STL526850
Synonyms: 2-(prop-2-en-1-yl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
Smiles: C=CCN1C(=S)N2C(C1=O)Cc1c(C2)[nH]c2c1cccc2
STL526851
Synonyms: methyl2-propanoyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: CCC(=O)N1Cc2[nH]c3c(c2CC1C(=O)OC)cccc3
STL526852
Synonyms: 6-phosphononorleucine
Smiles: OC(=O)C(CCCCP(=O)(O)O)N
STL526853
Synonyms: 5-(1,3-benzodioxol-5-ylmethyl)-5-{[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)C(C(=O)N1)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2
STL526854
Synonyms: (3bR,4aR)-N-(4-fluorophenyl)-5a-hydroxy-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
Smiles: Fc1ccc(cc1)NC(=S)N1N=C(C2C1(O)C[C@@H]1[C@H]2C1(C)C)C
STL526855
Synonyms: 1-(2,5-dimethoxyphenyl)-2-propanoyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylicacid
Smiles: COc1ccc(c(c1)C1N(C(=O)CC)C(Cc2c1[nH]c1c2cccc1)C(=O)O)OC
STL526856
Synonyms: 5-(5-bromo-1H-indol-3-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2c(CCN(C2c2c[nH]c3c2cc(Br)cc3)C)cc2c1OCO2
STL526857
Synonyms: methylN-[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]-3-nitrotyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C