FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STL054327
Synonyms: (5Z)-3-(4-fluorophenyl)-6-hydroxy-5-[(octylamino)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: CCCCCCCCN/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)F)O

STL054328
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-{[methyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CN(c1ccccc1)C)c1nonc1N)N/N=C/c1ccc2c(c1)OCO2

STL054330
Synonyms: 6-hydroxy-8-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-3,7-dimethyl-3,7-dihydro-2H-purin-2-one
Smiles: Oc1ccccc1/C=N/Nc1nc2c(n1C)c(O)nc(=O)n2C

STL054332
Synonyms: 4-(3-chlorophenyl)-2-{3-(3-chlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl}-1,2,4-oxadiazolidine-3,5-dione
Smiles: Clc1cccc(c1)N1C(=O)N(C(C1n1oc(=O)n(c1=O)c1cccc(c1)Cl)(C)C)CCc1ccccc1F

STL054333
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-[3-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Smiles: CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC

STL054334
Synonyms: 3-(4-methylphenyl)-1-{2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl}-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: O=C(Cn1cc([n+]2c1CCC2)c1ccc(cc1)C)Nc1scc(n1)c1ccccc1

STL054335
Synonyms: N-[(3Z)-1-butyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2,2-dimethylpropanamide
Smiles: CCCCn1[nH]/c(=N\C(=O)C(C)(C)C)/c2c1nc1c(C)cccc1c2

STL054336
Synonyms: (4E)-4-[(3-chloro-4-methoxyphenyl)(hydroxy)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1cc(cc(c1OC)OC)C1N(c2noc(c2)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)Cl)OC)/O

STL054337
Synonyms: N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(phenylsulfanyl)acetamide
Smiles: COc1cc(ccc1OC)Cc1n[nH]/c(=N/C(=O)CSc2ccccc2)/s1

STL054338
Synonyms: N-(3-methylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]acetamide
Smiles: Cc1cccc(c1)N(C(=O)C)Cc1cc(=O)[nH]c2c1cccc2

STL054339
Synonyms: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCOc1cc(cc(c1O)Br)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STL054340
Synonyms: prop-2-en-1-yl2-{(3E)-2-(3-chlorophenyl)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: C=CCOC(=O)c1sc(nc1C)N1C(c2cccc(c2)Cl)/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C1=O

STL054341
Synonyms: 6-bromo-2-[(Z)-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-(2-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccccc1n1c(/C=C/2\C(=O)Nc3c2cc(Br)cc3)nc2c(c1=O)cc(cc2)Br

STL054342
Synonyms: N-(2-chlorobenzyl)-N'-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)NCc2ccccc2Cl)/s1

STL054344
Synonyms: ethyl3-[({4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}acetyl)amino]-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1)cc(cc2)OC

STL054346
Synonyms: N-(4-chlorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1)Cl

STL054347
Synonyms: 1-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-benzimidazol-1-yl}-3-(3-methylphenoxy)propan-2-ol
Smiles: OC(Cn1c(=N)n(c2c1cccc2)CCN1CCOCC1)COc1cccc(c1)C

STL054348
Synonyms: (1'S,2'S,3R,3a'R)-2'-[(3-methoxyphenyl)carbonyl]-5'-methyl-1'-[(4-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)[N+](=O)[O-])N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=C(c1c2cccc1)C

STL054350
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methylphenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)C1N(CCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STL054351
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

STL054352
Synonyms: (5E)-3-benzyl-5-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C(/Nc1c(=O)n(n(c1C)C)c1ccccc1)\C)Cc1ccccc1

STL054353
Synonyms: 3-(4-fluorophenyl)-1-(2-methylbenzyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Fc1ccc(cc1)c1cn(c2[n+]1CCC2)Cc1ccccc1C

STL054355
Synonyms: 5-{[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-3-ium-2-yl)ethenyl]amino}-2-hydroxybenzoate
Smiles: N#C/C(=C\Nc1ccc(c(c1)C(=O)[O-])O)/c1scc([nH+]1)c1ccccc1

STL054356
Synonyms: methyl[(2Z)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Smiles: COC(=O)/N=c\1/[nH]nc(s1)c1ccco1

STL054358
Synonyms: N-(3-bromophenyl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STL054359
Synonyms: (4E)-4-[furan-2-yl(hydroxy)methylidene]-5-[3-methoxy-4-(pentyloxy)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: CCCCCOc1ccc(cc1OC)C1/C(=C(/c2ccco2)\O)/C(=O)C(=O)N1c1noc(c1)C

STL054360
Synonyms: 4-{[(E)-(4-hydroxyphenyl)methylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)O

STL054361
Synonyms: (5E)-1-cyclohexyl-4,6-dioxo-5-({[3-(piperidinium-1-yl)propyl]amino}methylidene)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: [S-]C1=NC(=O)/C(=C\NCCC[NH+]2CCCCC2)/C(=O)N1C1CCCCC1

STL054362
Synonyms: methyl4-[(E)-{[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(S)nnc1c1n[nH]c(c1)C

STL054363
Synonyms: (5E)-2-[4-(4-methylphenyl)piperazin-1-yl]-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Smiles: Cc1ccc(cc1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(o2)c2ccccc2[N+](=O)[O-])/S1

STL054364
Synonyms: tert-butyl(2S)-2-(5-{[(2,4-dihydroxy-6-methylpyrimidin-5-yl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
Smiles: Oc1nc(C)c(c(n1)O)CSc1nnc(o1)[C@@H]1CCCN1C(=O)OC(C)(C)C

STL054365
Synonyms: (5E)-5-[4-(azepanium-1-yl)benzylidene]-1-(4-methoxyphenyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc(cc2)[NH+]2CCCCCC2)/C1=O)[S-]

STL054366
Synonyms: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}methanolate
Smiles: CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1

STL054368
Synonyms: 3-chloro-N-[(2Z)-3-[(3-chloro-4-methoxyphenyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: COc1ccc(cc1Cl)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc(c1)Cl

STL054369
Synonyms: 10a-[(E)-2-(3-chlorophenyl)ethenyl]-8,10,10-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Smiles: O=C1CCN2C(N1)(/C=C/c1cccc(c1)Cl)C(C)(C)c1c2ccc(c1)C

STL054370
Synonyms: 1-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
Smiles: CCCCn1c(=N)n(c2c1cccc2)CC(COc1ccccc1OC)O

STL054372
Synonyms: tert-butyl[(1S)-1-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C

STL054373
Synonyms: (4E)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(thiophen-2-yl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2cccs2)/O)/C1c1ccccc1[N+](=O)[O-]

STL054374
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(E)-(2-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(C1CCCCC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1[N+](=O)[O-]

STL054375
Synonyms: 8-(azepan-1-yl)-7-[2-(azepan-1-yl)ethyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: O=c1nc(O)c2c(n1C)nc(n2CCN1CCCCCC1)N1CCCCCC1

STL054376
Synonyms: 2,5-dichloro-N-[(2Z)-3-[(3-methylbutyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: CC(CCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cc(Cl)ccc1Cl)C

STL054378
Synonyms: (5E)-3-benzyl-5-[1-(hexylamino)ethylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCCCCCN/C(=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)O)/C

STL054379
Synonyms: (1'S,2'S,3R,3a'R)-2'-[(4-methoxyphenyl)carbonyl]-1'-[(4-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)[N+](=O)[O-])N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STL054380
Synonyms: (5E)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)/C(=O)N1CCc1ccccc1

STL054381
Synonyms: 2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)C

STL054384
Synonyms: 3-(4,5-dimethoxy-2-nitrophenyl)-5-(4-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc(OC)c(cc1[N+](=O)[O-])OC

STL054387
Synonyms: 1-[(3-{(2Z)-2-[(2E)-(2-chloro-6-fluorobenzylidene)hydrazinylidene]-2,3-dihydro-1,3-thiazol-4-yl}phenyl)sulfonyl]piperidine
Smiles: Fc1cccc(c1/C=N/N=c/1\scc([nH]1)c1cccc(c1)S(=O)(=O)N1CCCCC1)Cl

STL054388
Synonyms: N-[(2Z)-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]-2,2-dimethylpropanamide
Smiles: O=C(C(C)(C)C)/N=c\1/[nH]nc(s1)COc1ccc(cc1)Cl

STL054389
Synonyms: (4Z)-6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4-[(4-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Cc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CSc1nnc(s1)N

STL054390
Synonyms: 5-benzyl-3-(2-nitrophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(Cc2ccccc2)C(=O)C2C1ON(C2c1ccccc1[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]

STL054391
Synonyms: (2E)-2-cyano-N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-5-(3-nitrobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=C/1\SC(C(=O)N1c1ccc(cc1)F)Cc1cccc(c1)[N+](=O)[O-])/C(=O)Nc1ccc(cc1)F

STL054392
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-dichlorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)cc(c2)Cl)nnc1COc1ccc(cc1)Cl

STL054394
Synonyms: 4-tert-butyl-N-[(3Z)-1-butyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzamide
Smiles: CCCCn1[nH]/c(=N\C(=O)c2ccc(cc2)C(C)(C)C)/c2c1nc1c(C)cccc1c2

STL054395
Synonyms: 2-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-5-(diethylammonio)phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)CC

STL054397
Synonyms: N-(4-chloro-2-methylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Cl)nnc1c1cccc(c1)C

STL054398
Synonyms: 4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(2-carbamoylphenyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CNc2ccccc2C(=O)N)c2nonc2[NH3+])ccc1[O-]

STL054399
Synonyms: (E)-[4-(benzyloxy)phenyl]{1-[2-(dimethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1cc(ccc1O)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1ccccc1)/[O-]

STL054400
Synonyms: 2-methoxy-4-[5-(naphthalen-1-yl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl4-fluorobenzoate
Smiles: COc1cc(ccc1OC(=O)c1ccc(cc1)F)C1N(OC2C1C(=O)N(C2=O)c1cccc2c1cccc2)c1ccccc1

STL054401
Synonyms: ethyl[(6-ethyl-7-hydroxy-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nnc2n1c(O)c1c(n2)c2ccccc2CC1(C)CC

STL054402
Synonyms: N-(butan-2-yl)-2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: CCC(Nc1nc(CC)nc2c1oc1c2cccc1)C

STL054403
Synonyms: 2-{1-(3,5-dimethoxybenzyl)-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione
Smiles: COc1cc(cc(c1)OC)CN1C(=O)N(C(C1(C)C)n1oc(=O)n(c1=O)c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F

STL054404
Synonyms: (5Z)-6-hydroxy-5-{[(6-methylpyridin-2-yl)amino]methylidene}-2-sulfanylpyrimidin-4(5H)-one
Smiles: SC1=NC(=O)/C(=C\Nc2cccc(n2)C)/C(=N1)O

STL054405
Synonyms: N-[(2Z)-3-[(3-bromophenyl)amino]quinoxalin-2(1H)-ylidene]-4-fluorobenzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc(c1)Br

STL054406
Synonyms: (3S,3a'R,8a'S,8b'S)-5,7-dimethyl-2'-(2-methyl-5-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-]

STL054407
Synonyms: N-[(2E)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: CCCC(=O)/N=c/1\[nH]nc(s1)c1ccccc1OC

STL054408
Synonyms: (8E)-1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2E)-(pyridin-2-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1Cl)Cn1c(=O)n(C)c2c(c1=O)n(C)/c(=N/N=C/c1ccccn1)/[nH]2

STL054409
Synonyms: 5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: Brc1ccc(cc1)c1cc(n2c(n1)c(Cl)c(n2)C(=O)Nc1ccccc1C(F)(F)F)C(F)(F)F

STL054410
Synonyms: 4-fluoro-N-[(2Z)-3-[(4-methoxybenzyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: COc1ccc(cc1)CNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)F

STL054411
Synonyms: 4-[5-(3,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2-methoxyphenyl4-fluorobenzoate
Smiles: COc1cc(ccc1OC(=O)c1ccc(cc1)F)C1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1

STL054412
Synonyms: 4-[(E)-{(2Z)-[4-(2,4-dichlorophenyl)-1,3-thiazol-2(3H)-ylidene]hydrazinylidene}methyl]-2-ethoxyphenyl2-methoxybenzoate
Smiles: CCOc1cc(/C=N/N=c/2\scc([nH]2)c2ccc(cc2Cl)Cl)ccc1OC(=O)c1ccccc1OC

STL054413
Synonyms: N-(2-tert-butylphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1COc1ccc(cc1)C

STL054414
Synonyms: 2-(14-phenyl-14H-benzo[5,6]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-2-yl)naphthalen-1-olate
Smiles: [O-]c1c(ccc2c1cccc2)c1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)c1ccccc1cc2

STL054415
Synonyms: N'-{(E)-[1-(4-fluorobenzyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-hydroxybenzohydrazide
Smiles: Fc1ccc(cc1)CN1C(=O)N=C(/C(=C\NNC(=O)c2ccccc2O)/C1=O)O

STL054416
Synonyms: (5E)-5-[(1-benzyl-1H-indol-3-yl)methylidene]-1-(2,4-dimethylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)Cc2ccccc2)/C1=O)S

STL054417
Synonyms: 1'-[(4-chlorophenyl)carbonyl]-2'-[(3-methoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)C1C(C(=O)c2ccc(cc2)Cl)N2C(C31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STL054418
Synonyms: 4-{[(E)-(3-bromophenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazole-3-thiol
Smiles: CC(Oc1cccc(c1)c1nnc(n1/N=C/c1cccc(c1)Br)S)C

STL054419
Synonyms: N-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]-3-fluoroaniline
Smiles: Fc1cccc(c1)/N=c\1/[nH]cnc2c1oc1c2cccc1

STL054420
Synonyms: N-[(3Z)-1-ethyl-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-4-methylbenzamide
Smiles: CCn1[nH]/c(=N\C(=O)c2ccc(cc2)C)/c2c1nc1ccc(cc1c2)C

STL054421
Synonyms: N-(2,4-difluorophenyl)thieno[3,2-b][1]benzothiophene-2-carboxamide
Smiles: Fc1ccc(c(c1)F)NC(=O)c1cc2c(s1)c1c(s2)cccc1

STL054422
Synonyms: 2,2'-disulfanediylbis(5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one)
Smiles: Cc1c(C)sc2c1c(=O)n(c(n2)SSc1nc2sc(c(c2c(=O)n1c1ccccc1)C)C)c1ccccc1

STL054423
Synonyms: 3-(4-bromo-2-fluorophenyl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-imine5,5-dioxide
Smiles: Brc1ccc(c(c1)F)N1C(=N)SC2C1CS(=O)(=O)C2

STL054424
Synonyms: 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1ccccc1Cl

STL054425
Synonyms: (5E)-1-methyl-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CN1C(=NC(=O)/C(=C\c2cccn2c2cccc(c2)[N+](=O)[O-])/C1=O)S

STL054426
Synonyms: 5-(2-fluorophenyl)-4-{[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: [O-][N+](=O)c1ccccc1/C=C/C=N/n1c(=S)[nH]nc1c1ccccc1F

STL054427
Synonyms: 2,5-dichloro-N-[(2Z)-3-[(2-chlorophenyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: Clc1ccc(c(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccccc1Cl)Cl

STL054428
Synonyms: (4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-{hydroxy[4-(propan-2-yloxy)phenyl]methylidene}-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(c2ccc(c(c2)OCC)O)/C(=C(/c2ccc(cc2)OC(C)C)\O)/C(=O)C1=O

STL054429
Synonyms: 4-ethoxy-N-[(2Z)-4-(4-fluorophenyl)-3-[3-(morpholin-4-yl)propyl]-1,3-thiazol-2(3H)-ylidene]aniline
Smiles: CCOc1ccc(cc1)/N=c/1\scc(n1CCCN1CCOCC1)c1ccc(cc1)F

STL054430
Synonyms: (4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1Cc1ccccc1

STL054431
Synonyms: N-[(2E)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-phenylacetamide
Smiles: O=C(/N=c/1\[nH]nc(s1)c1ccco1)Cc1ccccc1

STL054433
Synonyms: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-[3-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1)C

STL054434
Synonyms: (8S,8aR,11aS)-N-(5-chloro-2-methoxyphenyl)-10-(4-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: COc1ccc(cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-])Cl

STL054435
Synonyms: 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1c1cccc(c1)Cl

STL054436
Synonyms: 2-{[(2E)-4,7-dimethylquinazolin-2(1H)-ylidene]amino}-7-(furan-2-yl)-7,8-dihydroquinazolin-5(6H)-one
Smiles: Cc1ccc2c(c1)[nH]/c(=N\c1ncc3c(n1)CC(CC3=O)c1ccco1)/nc2C

STL054437
Synonyms: 2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)N

STL054438
Synonyms: 4-bromo-2-[(E)-{[2-(hydroxymethyl)-1H-3,1-benzimidazol-3-ium-1-yl]imino}methyl]phenolate
Smiles: OCc1[nH+]c2c(n1/N=C/c1cc(Br)ccc1[O-])cccc2

STL054439
Synonyms: 2'-[(4-chlorophenyl)carbonyl]-1'-[(3-methoxyphenyl)carbonyl]-5'-methyl-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)C1N2c3ccccc3C(=CC2C2(C1C(=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1)C

STL054440
Synonyms: tert-butyl(2S)-2-[5-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nnc(o1)[C@@H]1CCCN1C(=O)OC(C)(C)C

STL054441
Synonyms: (4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-[2-(2-hydroxyethoxy)ethyl]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(c2ccc(cc2)OC)/C(=C(/c2ccc(cc2)OCC)\O)/C(=O)C1=O

STL054442
Synonyms: (5E)-1-(2,4-dimethoxyphenyl)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(c(c1)OC)N1C(=NC(=O)/C(=C\c2cc(n(c2C)c2ccncc2)C)/C1=O)S

STL054444
Synonyms: 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)nnc1c1ccccc1Cl

STL054445
Synonyms: N-[(2Z)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2(3H)-ylidene]-2,2,2-trifluoroacetamide
Smiles: O=C(C(F)(F)F)/N=c\1/[nH]c2c(s1)CCCCCCCCCC2

STL054446
Synonyms: 4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)OC)n2c3c1CCCCn3c(c2)c1ccc(c(c1)Cl)Cl

STL054447
Synonyms: 3-(4-chloro-2-nitrophenyl)-2-[(E)-2-(pyridin-2-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])n1c(/C=C/c2ccccn2)nc2c(c1=O)cccc2

STL054448
Synonyms: N-[(2E)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-nitrobenzamide
Smiles: COc1ccc(cc1)Cc1n[nH]/c(=N\C(=O)c2ccc(cc2)[N+](=O)[O-])/s1

STL054449
Synonyms: N'-[(E)-(2,6-dichlorophenyl)methylidene]-2-(4-nitro-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1ncc(c1)[N+](=O)[O-])N/N=C/c1c(Cl)cccc1Cl

STL054450
Synonyms: N~1~-[(E)-(5-nitrothiophen-2-yl)methylidene]-1H-benzimidazole-1,2-diamine
Smiles: [O-][N+](=O)c1ccc(s1)/C=N/n1c(N)nc2c1cccc2

STL054451
Synonyms: 5-{5-[(3-methylbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pentan-1-amine
Smiles: NCCCCCc1nnc(o1)SCc1cccc(c1)C

STL054452
Synonyms: 1-[4-(benzyloxy)-3-ethoxyphenyl]-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cc(ccc1OCc1ccccc1)C1N(c2sc(c(n2)C)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STL054453
Synonyms: N-[(2E)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-methylbutanamide
Smiles: COc1ccccc1c1n[nH]/c(=N\C(=O)CC(C)C)/s1

STL054454
Synonyms: (1S)-3-methyl-1-{5-[(3-methylbenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}butan-1-amine
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1cccc(c1)C)N)C

STL054457
Synonyms: 4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2,6-dimethoxyphenolate
Smiles: CCOc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cc(OC)c(c(c1)OC)[O-]

STL054459
Synonyms: N-tert-butyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]acetamide
Smiles: CC(=O)N(C(C)(C)C)Cc1cc2ccccc2[nH]c1=O

STL054460
Synonyms: (5Z)-4,6-dioxo-1-[4-(propan-2-yl)phenyl]-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolinium-9-ylmethylidene)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: [S-]C1=NC(=O)/C(=C/c2cc3CCC[NH+]4c3c(c2)CCC4)/C(=O)N1c1ccc(cc1)C(C)C

STL054461
Synonyms: (4E)-5-(4-ethoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2cccs2)/O)/C1c1ccc(cc1)OCC

STL054462
Synonyms: (5E)-3-(1,3-benzodioxol-5-yl)-6-hydroxy-5-(1H-indol-3-ylmethylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1c1ccc2c(c1)OCO2

STL054463
Synonyms: 4-{[(E)-(3-hydroxyphenyl)methylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)O

STL054464
Synonyms: 3-[(3,4-dichlorobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1ccc(c(c1)Cl)Cl

STL054465
Synonyms: (5E)-3-(4-chlorophenyl)-5-{1-[(4-fluorophenyl)amino]propylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)/Nc1ccc(cc1)F

STL054466
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC[NH+](CCN1C(c2cccnc2)/C(=C(/c2ccc(cc2)OCC(C)C)\[O-])/C(=O)C1=O)CC

STL054467
Synonyms: (6E)-6-{[1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1ccc(cc1n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1)Cl

STL054468
Synonyms: 1-(3,4-dihydroxyphenyl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)c1ccc(c(c1)O)O

STL054469
Synonyms: 6-(2-chlorophenyl)-10-(methylsulfanyl)-7-(thiophen-2-yl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: CSc1nc2n(n1)C(c1cccs1)C1=C(N2)c2ccccc2OC1c1ccccc1Cl

STL054470
Synonyms: (4E)-4-[(4-butoxyphenyl)(hydroxy)methylidene]-1-(2-methoxyethyl)-5-(pyridin-3-yl)pyrrolidine-2,3-dione
Smiles: CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCOC)/O

STL054471
Synonyms: ethyl2-({(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)F)/C#N)sc(c1C)C(=O)Nc1ccccc1OC

STL054472
Synonyms: N-[(2Z)-3-[(2-methoxybenzyl)amino]quinoxalin-2(1H)-ylidene]-3,4-dimethylbenzenesulfonamide
Smiles: COc1ccccc1CNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(c(c1)C)C

STL054474
Synonyms: 4-(3,4-dimethylphenyl)-1-(4-methylphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Cc1ccc(cc1)c1c(C(=O)Nc2ccccc2)n2c3c1CCCCn3c(c2)c1ccc(c(c1)C)C

STL054475
Synonyms: (5Z)-1-(4-methoxyphenyl)-2,6-dioxo-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolinium-9-ylmethylidene)-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cc3CCC[NH+]4c3c(c2)CCC4)/C1=O)[O-]

STL054476
Synonyms: 7-bromo-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-nitrophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Brc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1sc(c(n1)C)C

STL054477
Synonyms: propan-2-yl[4-(dimethylamino)phenyl][hydroxy(2-methoxyphenyl)methyl]phosphinate
Smiles: COc1ccccc1C(P(=O)(c1ccc(cc1)N(C)C)OC(C)C)O

STL054478
Synonyms: 7'-bromo-2'-phenyl-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Brc1ccc2c(c1)C=CC1N2C(C(=O)c2ccccc2)C(C21C(=O)c1c(C2=O)cccc1)c1ccccc1

STL054479
Synonyms: N-[(3Z)-1-ethyl-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-3-methylbenzamide
Smiles: CCn1[nH]/c(=N\C(=O)c2cccc(c2)C)/c2c1nc1ccc(cc1c2)C

STL054480
Synonyms: N-[(3Z)-1-ethyl-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-3-nitrobenzamide
Smiles: CCn1[nH]/c(=N\C(=O)c2cccc(c2)[N+](=O)[O-])/c2c1nc1ccc(cc1c2)C

STL054481
Synonyms: 2-amino-4-(2-chloro-5-nitrophenyl)-5-ethyl-6-propylpyridine-3-carbonitrile
Smiles: CCCc1nc(N)c(c(c1CC)c1cc(ccc1Cl)[N+](=O)[O-])C#N

STL054482
Synonyms: N-(4-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)c1ccccc1Cl

STL054483
Synonyms: (5E)-5-[(1-benzyl-1H-indol-3-yl)methylidene]-3-(5-chloro-2-methylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(c(c1)N1C(=O)N=C(/C(=C\c2cn(c3c2cccc3)Cc2ccccc2)/C1=O)O)C

STL054484
Synonyms: (4E)-1-benzyl-5-[3-(benzyloxy)phenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)Cc1ccccc1)/c1ccc2c(c1)OCCO2

STL054485
Synonyms: 1-(cyanomethyl)-3-(3,4-dichlorophenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: N#CCn1cc([n+]2c1CCC2)c1ccc(c(c1)Cl)Cl

STL054486
Synonyms: 2-(3,4-dimethylphenyl)-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: CSCCC1Oc2ccccc2C2N1N=C(C2)c1ccc(c(c1)C)C

STL054487
Synonyms: 3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methylquinolin-2(1H)-one
Smiles: COc1ccc(cc1)c1onc(n1)c1cc2ccc(cc2[nH]c1=O)C

STL054488
Synonyms: 3-(4-methoxyphenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Smiles: COc1ccc(cc1)c1coc2c(c1=O)ccc(c2C[NH+]1CCN(CC1)C)[O-]

STL054489
Synonyms: (1S)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-3-methylbutan-1-amine
Smiles: CC(C[C@@H](c1nnc(o1)SCc1ccc(cc1)Cl)N)C

STL054490
Synonyms: 5-amino-2-(1,3-benzoxazol-3-ium-2-yl)phenolate
Smiles: Nc1ccc(c(c1)[O-])c1oc2c([nH+]1)cccc2

STL054491
Synonyms: N-[4-(acetylamino)phenyl]-2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nnc1c1ccc(cc1)Cl

STL054493
Synonyms: (E)-[4-(benzyloxy)phenyl]{2-(4-chlorophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(cc2)OCc2ccccc2)\[O-])/C(=O)C1=O)C

STL054494
Synonyms: 2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)nnc1c1cccc(c1)C

STL054495
Synonyms: 1-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3-(4-fluorophenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Fc1ccc(cc1)c1cn(c2[n+]1CCC2)CCCN1C(=O)c2c(C1=O)cccc2

STL054496
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-[(3-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1cccc(c1)[N+](=O)[O-]

STL054497
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1O)O)C

STL054498
Synonyms: 4-{(3E)-2-(4-bromophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoicacid
Smiles: Brc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1ccc(cc1)C(=O)O

STL054500
Synonyms: ethyl2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate
Smiles: CCOC(=O)c1cnc(nc1Oc1ccc(cc1)[N+](=O)[O-])n1nc(cc1C)C

STL054502
Synonyms: N-[(2Z)-3-{[4-(benzyloxy)phenyl]amino}quinoxalin-2(1H)-ylidene]-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(cc1)OCc1ccccc1

STL054503
Synonyms: 2-{4-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-yl}phenolate
Smiles: Clc1cc(Cl)cc(c1)N1C(=O)CC(C1=O)[NH+]1CCN(CC1)c1ccccc1[O-]

STL054505
Synonyms: 9-(propan-2-ylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7-ol
Smiles: CC(Sc1nnc2n1c(O)c1c(n2)c2ccccc2CC21CCCC2)C

STL054506
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N'-[(E)-pyridin-4-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)N/N=C/c1ccncc1

STL054507
Synonyms: (5Z)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanyl-1,3-thiazol-4(5H)-one
Smiles: CCCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=NC1=O)S)c1ccccc1

STL054508
Synonyms: 1-(3,4-dihydroxyphenyl)-2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1ccccc1

STL054509
Synonyms: 1-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-3-(4-methylphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: O=C(Cn1cc([n+]2c1CCC2)c1ccc(cc1)C)Nc1cccc(c1)F

STL054511
Synonyms: 6-amino-3-(3-methoxyphenyl)-4-(pyridin-4-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccncc1)c([nH]n2)c1cccc(c1)OC

STL054512
Synonyms: 4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: CC(c1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2ccc(cc2)Cl)/s1)C

STL054513
Synonyms: 3-[(2-chlorobenzyl)sulfanyl]-4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
Smiles: CCn1c(nnc1SCc1ccccc1Cl)COc1ccc(cc1)C

STL054515
Synonyms: (5E)-3-(3-fluorophenyl)-6-hydroxy-5-[4-(morpholin-4-yl)benzylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: Fc1cccc(c1)N1C(=O)N=C(/C(=C\c2ccc(cc2)N2CCOCC2)/C1=O)O

STL054516
Synonyms: 2-{[4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dibromo-4-methylphenyl)acetamide
Smiles: COc1cc(cc(c1OC)OC)c1nnc(n1N)SCC(=O)Nc1c(Br)cc(cc1Br)C

STL054517
Synonyms: 2-(4-benzylpiperazin-1-yl)-6-methyl-5-(3-methylbutyl)pyrimidin-4-ol
Smiles: CC(CCc1c(C)nc(nc1O)N1CCN(CC1)Cc1ccccc1)C

STL054518
Synonyms: N-[(2Z)-3-[(2,4-dichlorophenyl)amino]quinoxalin-2(1H)-ylidene]-3,4-dimethylbenzenesulfonamide
Smiles: Clc1ccc(c(c1)Cl)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(c(c1)C)C

STL054519
Synonyms: 4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2ccc(cc2)Cl)/s1

STL054520
Synonyms: N-[(2Z)-3-[(4-acetylphenyl)amino]quinoxalin-2(1H)-ylidene]-3,4-dimethylbenzenesulfonamide
Smiles: CC(=O)c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(c(c1)C)C

STL054521
Synonyms: N-{(2S)-1-[(3-fluorophenyl)amino]-1-oxopropan-2-yl}-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
Smiles: O=C([C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C)Nc1cccc(c1)F

STL054522
Synonyms: 4-bromo-2-{10-methyl-6-[(4-methylphenyl)amino]-8-(pyridin-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}phenol
Smiles: Brc1ccc(c(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)C)c1ccccn1)O

STL054523
Synonyms: 8-(1,3-benzothiazol-2-ylsulfanyl)-6-hydroxy-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-2H-purin-2-one
Smiles: Cc1ccc(cc1)Cn1c(Sc2nc3c(s2)cccc3)nc2c1c(O)nc(=O)n2C

STL054525
Synonyms: N-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide
Smiles: CCCc1nc(SCC(=O)Nc2ccc(cc2OC)OC)nc(c1)O

STL054526
Synonyms: methyl3-({4-chloro-5-[(E)-{2-[(4-nitrophenyl)carbonyl]hydrazinylidene}methyl]-2-oxo-1,3-thiazol-3(2H)-yl}methyl)benzoate
Smiles: COC(=O)c1cccc(c1)Cn1c(=O)sc(c1Cl)/C=N/NC(=O)c1ccc(cc1)[N+](=O)[O-]

STL054527
Synonyms: 1'-[(4-chlorophenyl)carbonyl]-7'-fluoro-2'-(3-methoxyphenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1cccc(c1)C1C(C(=O)c2ccc(cc2)Cl)N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)F

STL054528
Synonyms: 3-{[4-(4-butylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-6-chloro-4-phenylquinolin-2-ol
Smiles: CCCCc1ccc(cc1)n1c(nnc1c1cccs1)Sc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STL054529
Synonyms: 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2E)-4-phenyl-1,3-thiazol-2(3H)-ylidene]acetamide
Smiles: O=C(/N=c\1/scc([nH]1)c1ccccc1)CSc1nnc(n1N)C

STL054530
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(nnc1c1cccc(c1)C)SCc1c(Cl)cccc1Cl

STL054532
Synonyms: N~2~-(3-aminopropyl)-5-nitro-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: NCCCNc1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]

STL054533
Synonyms: (4E)-5-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)-4-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)N1C(=O)C(=O)/C(=C(\C=C\c2ccccc2)/O)/C1c1ccc(c(c1)OC)OC

STL054534
Synonyms: (4E)-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)C

STL054535
Synonyms: N-[(3Z)-7-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]pyridine-2-carboxamide
Smiles: CCCn1[nH]/c(=N\C(=O)c2ccccn2)/c2c1nc1cc(C)ccc1c2

STL054537
Synonyms: N-[(2E)-5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]furan-2-carboxamide
Smiles: Brc1ccc(cc1)OCc1n[nH]/c(=N\C(=O)c2ccco2)/s1

STL054539
Synonyms: (5E)-3-butyl-6-hydroxy-5-[(2-phenyl-1H-indol-3-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1C(=O)N=C(/C(=C\c2c([nH]c3c2cccc3)c2ccccc2)/C1=O)O

STL054540
Synonyms: 5-[3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoicacid
Smiles: COc1ccc(cc1C1CC(=NN1C(=O)CCCC(=O)O)c1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl)OC

STL054541
Synonyms: N-[(2E)-5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\[nH]nc(s1)COc1ccccc1F

STL054543
Synonyms: {4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenoxy}acetate
Smiles: CCOc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1ccc(cc1)OCC(=O)[O-]

STL054544
Synonyms: (2E,5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2-(phenylimino)-1,3-thiazolidin-4-one
Smiles: O=C1N/C(=N\c2ccccc2)/S/C/1=C\C=C\c1ccco1

STL054545
Synonyms: 4-chloro-N-[(2Z)-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: Fc1ccc(cc1)OCc1n[nH]/c(=N/C(=O)c2ccc(cc2)Cl)/s1

STL054547
Synonyms: N-[(4E)-2-methyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]-2,3-dihydro-1,4-benzodioxin-6-amine
Smiles: Cc1[nH]/c(=N/c2ccc3c(c2)OCCO3)/c2c(n1)c1ccccc1o2

STL054549
Synonyms: 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl2,6-dimethoxybenzoate
Smiles: COc1cccc(c1C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1Br)C(F)(F)F)OC

STL054550
Synonyms: 2'-[(4-methoxyphenyl)carbonyl]-5',7'-dimethyl-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)C1C(C(=O)c2ccccc2)N2C(C31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)C

STL054551
Synonyms: 3-(3,4-dichlorophenyl)-1-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)Cn1cc([n+]2c1CCC2)c1ccc(c(c1)Cl)Cl

STL054552
Synonyms: 3-(4-chlorophenyl)-2-[(Z)-(1,5-dimethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-6-iodoquinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)n1c(/C=C/2\C(=O)N(c3c2cc(C)cc3)C)nc2c(c1=O)cc(cc2)I

STL054553
Synonyms: 6-amino-4-{4-[(4-fluorobenzyl)oxy]phenyl}-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: COc1cccc(c1)c1[nH]nc2c1C(c1ccc(cc1)OCc1ccc(cc1)F)C(=C(O2)N)C#N

STL054554
Synonyms: 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-(4-methylphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Cc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(cc1Cl)Cl

STL054555
Synonyms: (E)-[4-(benzyloxy)phenyl]{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCCN1C(c2ccncc2)/C(=C(/c2ccc(cc2)OCc2ccccc2)\[O-])/C(=O)C1=O)C

STL054556
Synonyms: 3-{(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COc1ccccc1N1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccco1)C

STL054557
Synonyms: 2-fluoro-N-[(2E)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: Fc1ccccc1C(=O)/N=c/1\[nH]nc(s1)c1ccco1

STL054558
Synonyms: 2-{[(4-fluorophenyl)sulfonyl]amino}-N-(2-phenylethyl)-1-(tetrahydrofuran-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Fc1ccc(cc1)S(=O)(=O)Nc1c(C(=O)NCCc2ccccc2)c2c(n1CC1CCCO1)nc1c(n2)cccc1

STL054559
Synonyms: N'-[(1E)-1-(1-butyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)ethyl]benzohydrazide
Smiles: CCCCN1C(=O)N=C(/C(=C(\NNC(=O)c2ccccc2)/C)/C1=O)O

STL054560
Synonyms: (2Z)-2-[(2,5-dimethoxyphenyl)imino]-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-1,2-dihydropyrimidin-4-amine
Smiles: COc1ccc(cc1/N=c/1\nc(N)c(c([nH]1)N1CC(C)OC(C1)C)[N+](=O)[O-])OC

STL054561
Synonyms: 4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-3-phenyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: COc1ccc(cc1OC)C1SCC(=Nc2c1c(nn2c1ccc(cc1)C)c1ccccc1)O

STL054562
Synonyms: 2-chloro-6-(2-chlorophenyl)-7-(4-methylphenyl)-10-(methylsulfanyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: CSc1nc2n(n1)C(c1ccc(cc1)C)C1=C(N2)c2cc(Cl)ccc2OC1c1ccccc1Cl

STL054563
Synonyms: 4-(phenylcarbonyl)phenyl(6aS,6bR,9aS,10R)-8-(3-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: O=C([C@H]1[C@@H]2[C@H]([C@H]3N1c1ccccc1C=C3)C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])Oc1ccc(cc1)C(=O)c1ccccc1

STL054565
Synonyms: 4-methyl-N-[(3E)-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzamide
Smiles: CCCn1[nH]/c(=N/C(=O)c2ccc(cc2)C)/c2c1nc1ccccc1c2

STL054566
Synonyms: (5Z)-5-({[2-(dimethylammonio)ethyl]amino}methylidene)-1-(2,5-dimethylphenyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: Cc1ccc(c(c1)N1C(=NC(=O)/C(=C/NCC[NH+](C)C)/C1=O)[S-])C

STL054567
Synonyms: (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: O=C1NC(=O)/C(=C(\Nc2cccc(c2)N/C(=C\2/C(=NC(=NC2=O)O)O)/C)/C)/C(=N1)O

STL054569
Synonyms: N-[1-(2,3-dimethoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-4-(propan-2-yloxy)benzamide
Smiles: COc1cccc(c1OC)CN1C2=C(C(C1=O)(NC(=O)c1ccc(cc1)OC(C)C)C(F)(F)F)C(=O)CC(C2)(C)C

STL054571
Synonyms: N-[(3Z)-1-ethyl-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]acetamide
Smiles: CCn1[nH]/c(=N\C(=O)C)/c2c1nc1ccc(cc1c2)C

STL054572
Synonyms: 6-chloro-3-ethyl-8-[(2-ethylpiperidinium-1-yl)methyl]-4-methyl-2-oxo-2H-chromen-7-olate
Smiles: CCc1c(=O)oc2c(c1C)cc(c(c2C[NH+]1CCCCC1CC)[O-])Cl

STL054573
Synonyms: 1-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-3-(4-methylphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Cc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)Nc1ccc(c(c1)C)C

STL054574
Synonyms: 3-(4-chlorophenyl)-1-{2-[(2-methoxyphenyl)amino]-2-oxoethyl}-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: COc1ccccc1NC(=O)Cn1cc([n+]2c1CCC2)c1ccc(cc1)Cl

STL054575
Synonyms: N'~1~,N'~8~-bis[(E)-(3-nitrophenyl)methylidene]octanedihydrazide
Smiles: O=C(N/N=C/c1cccc(c1)[N+](=O)[O-])CCCCCCC(=O)N/N=C/c1cccc(c1)[N+](=O)[O-]

STL054576
Synonyms: 6-amino-4-(4-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCOc1ccc(cc1)c1[nH]nc2c1C(c1ccc(cc1)O)C(=C(O2)N)C#N

STL054577
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1c1cccc(c1)C

STL054578
Synonyms: ethyl1-(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1nc(CC)nc2c1oc1c2cccc1

STL054579
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-ethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC

STL054580
Synonyms: 3-(2-methoxyethyl)-11-{[(E)-(3-nitrophenyl)methylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccc(c1)[N+](=O)[O-]

STL054581
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-N'-{(E)-[4-(propan-2-yloxy)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CC(Oc1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1ccc(cc1)C)c1nonc1N)C

STL054582
Synonyms: 6-amino-3-(4-ethoxy-3-methoxyphenyl)-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCOc1ccc(cc1OC)c1[nH]nc2c1C(c1cccc(c1)[N+](=O)[O-])C(=C(O2)N)C#N

STL054583
Synonyms: 6-hydroxy-3-methyl-7-(2-oxopropyl)-8-sulfanyl-3,7-dihydro-2H-purin-2-one
Smiles: CC(=O)Cn1c(S)nc2c1c(O)nc(=O)n2C

STL054584
Synonyms: (5E)-5-{[1-(3-chloropropyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: ClCCCN1CCc2c1ccc(c2)/C=C/1\C(=O)N=C(N(C1=O)CCC1=CCCCC1)S

STL054585
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-methoxyethyl)-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)OCCC(C)C

STL054586
Synonyms: N-(biphenyl-2-yl)-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2c2ccccc2)nnc1c1cccc(c1)C

STL054587
Synonyms: 2-methoxy-6-(4-methoxyquinazolin-2-yl)phenol
Smiles: COc1nc(nc2c1cccc2)c1cccc(c1O)OC

STL054588
Synonyms: 2-chloro-N-[(4E)-2-ethyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]aniline
Smiles: CCc1[nH]/c(=N/c2ccccc2Cl)/c2c(n1)c1ccccc1o2

STL054589
Synonyms: 1'-(2,2-dimethylpropanoyl)-5'-methyl-2'-[(3,4,5-trimethoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1c(OC)cc(cc1OC)C(=O)C1C(N2C(C31C(=O)Nc1c3cccc1)C=C(c1c2cccc1)C)C(=O)C(C)(C)C

STL054590
Synonyms: 3,4,5-trimethoxy-N-[(3Z)-6-methyl-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)/N=c/1\[nH]n(c2c1cc1cc(C)ccc1n2)CC(C)C

STL054591
Synonyms: (5Z)-3-(4-bromophenyl)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Cc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Br)O

STL054592
Synonyms: 2-chloro-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-propylbenzamide
Smiles: CCCN(C(=O)c1ccccc1Cl)Cc1cc2ccccc2[nH]c1=O

STL054593
Synonyms: 3-(2-{(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoicacid
Smiles: OC(=O)c1cccc(c1)n1cccc1/C=C\1/C(=O)N=C(N(C1=O)c1ccccc1F)S

STL054594
Synonyms: 4-{[(E)-(2-hydroxynaphthalen-1-yl)methylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1c(O)ccc2c1cccc2

STL054595
Synonyms: (1'S,2'S,3R,3a'R)-5'-methyl-1'-[(4-nitrophenyl)carbonyl]-2'-(pyridin-4-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1N2c3ccccc3C(=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccncc1)C(=O)Nc1c2cccc1)C)c1ccc(cc1)[N+](=O)[O-]

STL054596
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-ethylphenyl)pyrrolidine-2,3-dione
Smiles: CCc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STL054597
Synonyms: (E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: COc1cc(cc(c1OC)OC)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]

STL054598
Synonyms: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CC1Cc2c(O1)ccc(c2)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)/O

STL054599
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl)C

STL054600
Synonyms: 4-(4-cyclohexylpiperazin-1-yl)-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)C2CCCCC2)/s1)C

STL054601
Synonyms: 1-(4-{[(4E)-2-methyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]amino}phenyl)ethanone
Smiles: Cc1[nH]/c(=N/c2ccc(cc2)C(=O)C)/c2c(n1)c1ccccc1o2

STL054603
Synonyms: 6-hydroxy-8-[(2-hydroxyethyl)amino]-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-2H-purin-2-one
Smiles: OCCNc1nc2c(n1CCOc1ccccc1)c(O)nc(=O)n2C

STL054604
Synonyms: (2Z)-2-[(2,5-dimethoxyphenyl)imino]-5-nitro-6-(pyrrolidin-1-yl)-1,2-dihydropyrimidin-4-amine
Smiles: COc1ccc(cc1/N=c/1\nc(N)c(c([nH]1)N1CCCC1)[N+](=O)[O-])OC

STL054605
Synonyms: (4Z)-4-[3-(benzyloxy)benzylidene]-2-(2-chloro-5-nitrophenyl)-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\c1cccc(c1)OCc1ccccc1)c1cc(ccc1Cl)[N+](=O)[O-]

STL054606
Synonyms: 3-[2-(2-chloro-6-methylphenoxy)ethyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1c(C)cccc1Cl

STL054608
Synonyms: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1cc(Br)c(c(c1)OC)O

STL054609
Synonyms: (4E)-5-(4-tert-butylphenyl)-4-[hydroxy(4-propoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1noc(c1)C)/O

STL054610
Synonyms: 3-(1-methyl-1H-indol-3-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
Smiles: O=C1CC(C(=O)N1c1ccc(cc1)[N+](=O)[O-])c1cn(c2c1cccc2)C

STL054612
Synonyms: 2-{[5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc(o1)C(Cc1ccccc1)N

STL054614
Synonyms: 2'-[(2-chlorophenyl)carbonyl]-5',7'-dimethyl-1'-(thiophen-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Cc1ccc2c(c1)C(=CC1N2C(C(=O)c2cccs2)C(C21C(=O)Nc1c2cccc1)C(=O)c1ccccc1Cl)C

STL054616
Synonyms: (2E,2'E)-2,2'-{oxybis[ethane-2,1-diyloxybenzene-2,1-diyl(E)methylylidene]}dihydrazinecarbothioamide
Smiles: NC(=S)N/N=C/c1ccccc1OCCOCCOc1ccccc1/C=N/NC(=S)N

STL054617
Synonyms: (1'R,2'R)-1'-[(3-nitrophenyl)carbonyl]-2'-[4-(trifluoromethyl)phenyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: O=C([C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccc(cc1)C(F)(F)F)C(=O)c1c(C2=O)cccc1)c1cccc(c1)[N+](=O)[O-]

STL054618
Synonyms: (4E)-5-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2cccs2)/O)/C1c1ccc(c(c1)OC)OC

STL054620
Synonyms: (1'S,2'S,3R,3a'R)-1'-[(4-nitrophenyl)carbonyl]-2'-(pyridin-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccccn1)C(=O)Nc1c2cccc1)c1ccc(cc1)[N+](=O)[O-]

STL054621
Synonyms: 1-(2-amino-2-oxoethyl)-3-(3,4-dichlorophenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: NC(=O)Cn1cc([n+]2c1CCC2)c1ccc(c(c1)Cl)Cl

STL054622
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-2-[3-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[NH+](C)C)C

STL054623
Synonyms: N-[(2Z)-3-(4-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
Smiles: CCC(=O)/N=C/1\SC2C(N1c1ccc(cc1)C)CS(=O)(=O)C2

STL054624
Synonyms: (5Z)-5-(3-fluorobenzylidene)-2-{[2-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4(5H)-one
Smiles: Fc1cccc(c1)/C=C/1\SC(=NC1=O)Nc1ccccc1C(F)(F)F

STL054626
Synonyms: (4E)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(3-nitrophenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2cccc(c2)[N+](=O)[O-])/O)/C1c1cccc(c1)[N+](=O)[O-]

STL054629
Synonyms: 1-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3-(4-methylphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Cc1ccc(cc1)c1cn(c2[n+]1CCC2)CCCN1C(=O)c2c(C1=O)cccc2

STL054630
Synonyms: 2-[(E)-2-(1-benzyl-2-methyl-1H-indol-3-yl)ethenyl]-3-(3-nitrophenyl)quinazolin-4(3H)-one
Smiles: Cc1n(Cc2ccccc2)c2c(c1/C=C/c1nc3ccccc3c(=O)n1c1cccc(c1)[N+](=O)[O-])cccc2

STL054631
Synonyms: (5E)-3-(2-ethoxyphenyl)-6-hydroxy-5-[4-(morpholin-4-yl)benzylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: CCOc1ccccc1N1C(=O)N=C(/C(=C\c2ccc(cc2)N2CCOCC2)/C1=O)O

STL054632
Synonyms: (7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl4-tert-butylbenzoate
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)COC(=O)c1ccc(cc1)C(C)(C)C

STL054633
Synonyms: 3-[4-(methylsulfanyl)phenyl]-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CSc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STL054634
Synonyms: 1-(3,4-dihydroxyphenyl)-2-{[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: COc1cccc(c1)c1nnc(n1CC)SCC(=O)c1ccc(c(c1)O)O

STL054635
Synonyms: (5E)-5-{[(4-{[2-(diethylammonio)ethoxy]carbonyl}phenyl)amino]methylidene}-2,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: CC[NH+](CCOC(=O)c1ccc(cc1)N/C=C/1\C(=NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F)[O-])CC

STL054636
Synonyms: 5-methoxy-3-[(propylsulfonyl)amino]-1H-indole-2-carboxylicacid
Smiles: CCCS(=O)(=O)Nc1c([nH]c2c1cc(OC)cc2)C(=O)O

STL054638
Synonyms: N-[(3E)-1-butyl-7-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-3-methylbenzamide
Smiles: CCCCn1[nH]/c(=N/C(=O)c2cccc(c2)C)/c2c1nc1cc(C)ccc1c2

STL054639
Synonyms: N-(3-methylbutyl)-2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetamide
Smiles: CC(CCNC(=O)COc1cc(C)cc2c1c1CCCc1c(=O)o2)C

STL054640
Synonyms: 5-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenolate
Smiles: COc1ccc(cc1[O-])/C=N/NC(=O)c1nnn(c1c1cccs1)c1nonc1[NH3+]

STL054641
Synonyms: 7-methyl-3-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]quinolin-2(1H)-one
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)c1noc(n1)c1cccc(c1)[N+](=O)[O-]

STL054642
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STL054643
Synonyms: [3'-(4-bromophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl](phenyl)methanone
Smiles: CCC1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccc(cc1)Br)C(=O)c1ccccc1

STL054644
Synonyms: 3-(5-{(Z)-[5-iminio-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate
Smiles: CCC(c1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3cccc(c3)C(=O)[O-])/C2=[NH2+])s1)CC

STL054645
Synonyms: (5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione
Smiles: Clc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)c1cccc(c1)C(F)(F)F)S

STL054646
Synonyms: N-[(3Z)-1,8-dimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]butanamide
Smiles: CCCC(=O)/N=c/1\[nH]n(c2c1cc1cccc(c1n2)C)C

STL054647
Synonyms: 4-{[(3Z)-3-({[4-(acetylamino)phenyl]sulfonyl}imino)-3,4-dihydroquinoxalin-2-yl]amino}-N-(4-methoxyphenyl)benzamide
Smiles: COc1ccc(cc1)NC(=O)c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)NC(=O)C

STL054648
Synonyms: (4E)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1CCc1ccccc1

STL054650
Synonyms: 3,4,5-trimethoxy-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(propan-2-yl)benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)N(C(C)C)Cc1cc2ccccc2[nH]c1=O

STL054651
Synonyms: (1'S,2'S,3R,3a'R)-1'-[(4-nitrophenyl)carbonyl]-2'-(thiophen-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1)c1ccc(cc1)[N+](=O)[O-]

STL054652
Synonyms: 3-methyl-N-[(2Z)-3-[(3-methylphenyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: Cc1cccc(c1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc(c1)C

STL054653
Synonyms: N-[(3Z)-6-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2-phenoxyacetamide
Smiles: CCCn1[nH]/c(=N\C(=O)COc2ccccc2)/c2c1nc1ccc(cc1c2)C

STL054654
Synonyms: (5E)-1-cyclopropyl-4,6-dioxo-5-({[3-(piperidinium-1-yl)propyl]amino}methylidene)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: O=C1N=C([S-])N(C(=O)/C/1=C/NCCC[NH+]1CCCCC1)C1CC1

STL054658
Synonyms: (5Z)-1-cyclohexyl-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)C1CCCCC1)S

STL054660
Synonyms: 5-(4-methylphenyl)-2-(3-nitrophenyl)-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1cccc(c1)[N+](=O)[O-])c1ccncc1

STL054661
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-ethoxyphenyl)ethylidene]-5-{[methyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1CN(c1ccccc1)C)c1nonc1N)/C

STL054662
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(3-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)[N+](=O)[O-]

STL054663
Synonyms: 2'-[(2,4-dichlorophenyl)carbonyl]-5',7'-dimethyl-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Clc1ccc(c(c1)Cl)C(=O)C1C(C(=O)c2ccccc2)N2C(C31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)C

STL054664
Synonyms: N-[5-(acetylamino)-2-methoxyphenyl]-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1CC)c1ccccc1)NC(=O)C

STL054665
Synonyms: (5E)-5-(1-{[4-(diethylammonio)phenyl]amino}ethylidene)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: C=CCN1C(=O)N=C(/C(=C(\Nc2ccc(cc2)[NH+](CC)CC)/C)/C1=O)[O-]

STL054666
Synonyms: N-(3-fluorophenyl)-2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)Nc1cccc(c1)F

STL054668
Synonyms: (5Z)-3-benzyl-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O

STL054669
Synonyms: N-(2-methoxyphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]propanamide
Smiles: CCC(=O)N(c1ccccc1OC)Cc1cc(=O)[nH]c2c1cccc2

STL054671
Synonyms: ethyl4-amino-2-[({(6Z)-4-amino-6-[(2-methoxyphenyl)imino]-1,6-dihydro-1,3,5-triazin-2-yl}methyl)sulfanyl]pyrimidine-5-carboxylate
Smiles: CCOC(=O)c1cnc(nc1N)SCc1nc(N)n/c(=N\c2ccccc2OC)/[nH]1

STL054672
Synonyms: 4-{[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino}-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cc(Br)c(c(c1)OC)O

STL054673
Synonyms: N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1)NC(=O)C

STL054675
Synonyms: (3S,3a'R,8a'S,8b'S)-5-chloro-2'-(4-methyl-3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Clc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(c(c1)[N+](=O)[O-])C

STL054676
Synonyms: 8-[(2-chlorobenzyl)amino]-6-hydroxy-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: Clc1ccccc1CNc1nc2c(n1CCCc1ccccc1)c(O)nc(=O)n2C

STL054677
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1cc(/C=N/n2c(=S)[nH]nc2c2ccccc2Cl)c(c(c1)Br)O

STL054678
Synonyms: 3-[(4-tert-butylbenzyl)sulfanyl]-4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCc1ccc(cc1)C(C)(C)C

STL054679
Synonyms: 2-{[(4E)-2-methyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]amino}phenol
Smiles: Cc1[nH]/c(=N/c2ccccc2O)/c2c(n1)c1ccccc1o2

STL054680
Synonyms: 4-(1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)phenylpropanoate
Smiles: CCC(=O)Oc1ccc(cc1)C1Nc2ccccc2N=C2C1=C(O)CC(C2)(C)C

STL054681
Synonyms: prop-2-en-1-yl2-{(3E)-2-(3-chlorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: C=CCOC(=O)c1sc(nc1C)N1C(c2cccc(c2)Cl)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

STL054682
Synonyms: (5E)-6-hydroxy-5-{1-[(3-hydroxypropyl)amino]propylidene}-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: OCCCN/C(=C/1\C(=NC(=O)N(C1=O)CC=C)O)/CC

STL054684
Synonyms: 2-{4-(4-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyrazine
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1cnccn1

STL054686
Synonyms: N-[(3E)-1-butyl-7-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2-methoxyacetamide
Smiles: CCCCn1[nH]/c(=N/C(=O)COC)/c2c1nc1cc(C)ccc1c2

STL054687
Synonyms: N-benzyl-2-[(6-{[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc2c(s1)cc(cc2)Nc1nc(nc(n1)N1CCCCC1)N1CCCCC1

STL054688
Synonyms: 3-(2,4-dichlorophenyl)-5-(3-methylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1cccc(c1)[N+](=O)[O-])c1ccc(cc1Cl)Cl

STL054689
Synonyms: (5E)-1-(2,4-dimethoxyphenyl)-5-{[2,5-dimethyl-1-(5-methylpyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(c(c1)OC)N1C(=NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cn2)C)C)/C1=O)S

STL054691
Synonyms: N-[(2Z)-3-[(2-bromophenyl)amino]quinoxalin-2(1H)-ylidene]-4-methoxybenzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccccc1Br

STL054692
Synonyms: 3-(3,4-dichlorophenyl)-1-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Cc1ccc(c(c1)C)NC(=O)Cn1cc([n+]2c1CCC2)c1ccc(c(c1)Cl)Cl

STL054693
Synonyms: 4-{5-[(Z)-{5-iminio-7-oxo-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]furan-2-yl}benzoate
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(cc3)C(=O)[O-])/C2=[NH2+])s1

STL054695
Synonyms: 6-amino-4-(3,4-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCOc1ccc(cc1OC)c1[nH]nc2c1C(c1ccc(c(c1)OC)OC)C(=C(O2)N)C#N

STL054696
Synonyms: (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: C=CCN1C(=S)NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/C1=O

STL054698
Synonyms: 1-[3'-(4-bromophenyl)-3,3-bis(4-chlorophenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
Smiles: Clc1ccc(cc1)C1(SC2(c3c1cccc3)SC(=NN2c1ccc(cc1)Br)C(=O)C)c1ccc(cc1)Cl

STL054699
Synonyms: N-[(2Z)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2(1H)-ylidene]-4-methoxybenzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc2c(c1)OCCO2

STL054700
Synonyms: (2Z)-6-(4-benzylpiperidin-1-yl)-2-[(4-methoxyphenyl)imino]-5-nitro-1,2-dihydropyrimidin-4-amine
Smiles: COc1ccc(cc1)/N=c\1/[nH]c(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STL054702
Synonyms: 2-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenolate
Smiles: COc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C(/c1ccccc1[O-])\C

STL054703
Synonyms: (4Z)-6-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[(4-ethoxyphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: CCOc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CN1CC(C)CC(C1)C

STL054704
Synonyms: methyl4-({[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Smiles: CCCc1nc(SCC(=O)Nc2ccc(cc2)C(=O)OC)nc(c1)O

STL054705
Synonyms: 2-amino-N-(3,4-dimethylphenyl)-1-{[(E)-(3-nitrophenyl)methylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: [O-][N+](=O)c1cccc(c1)/C=N/n1c2nc3ccccc3nc2c(c1N)C(=O)Nc1ccc(c(c1)C)C

STL054706
Synonyms: (4E)-5-(4-bromophenyl)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)Br)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/O

STL054707
Synonyms: 1-ethyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione
Smiles: CCN1C(=NC(=O)C2(C1=O)CN(C)c1c(C2)cc(cc1)C)S

STL054708
Synonyms: 4-{(E)-hydroxy[1-(2-methoxyethyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]methyl}-N,N-dimethylbenzenesulfonamide
Smiles: COCCN1C(c2ccccc2)/C(=C(/c2ccc(cc2)S(=O)(=O)N(C)C)\O)/C(=O)C1=O

STL054709
Synonyms: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-2-yl)pyrrolidin-3-ylidene](4-fluorophenyl)methanolate
Smiles: Fc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccn1)Cc1ccc[nH+]c1)/[O-]

STL054710
Synonyms: 6'-amino-3'-methyl-2-oxo-1-(3-phenylpropyl)-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C31c1ccccc1N(C3=O)CCCc1ccccc1)c(C)[nH]n2

STL054712
Synonyms: 4-[5-(4-bromophenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl4-chloro-1-methyl-1H-pyrazole-5-carboxylate
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OC(=O)c1c(Cl)cnn1C)c1cccc(c1)[N+](=O)[O-]

STL054713
Synonyms: 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone
Smiles: Clc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1ccc(cc1)C

STL054714
Synonyms: (5E)-5-{1-[(3-fluorophenyl)amino]propylidene}-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/Nc1cccc(c1)F

STL054715
Synonyms: 1-{3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}-3-(3-methylphenoxy)propan-2-ol
Smiles: CCN(CCn1c(=N)n(c2c1cccc2)CC(COc1cccc(c1)C)O)CC

STL054716
Synonyms: (E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/[O-])/C1c1cccc(c1)Oc1ccccc1)CC

STL054717
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1COc1ccc(cc1)Cl

STL054718
Synonyms: 3-[(E)-{2-[(2-methyl-1H-imidazol-3-ium-1-yl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: O=C(Cn1cc[nH+]c1C)N/N=C/c1cccc(c1)[O-]

STL054719
Synonyms: (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-[(hexylamino)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCCCCCN/C=C\1/C(=O)N=C(N(C1=O)CCC1=CCCCC1)S

STL054720
Synonyms: 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1ccc(cc1)C(C)(C)C

STL054721
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-chlorophenyl)ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nnc1COc1ccc(cc1)Cl

STL054722
Synonyms: 2-fluoro-N-[(3Z)-7-methyl-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzamide
Smiles: CC(Cn1[nH]/c(=N\C(=O)c2ccccc2F)/c2c1nc1cc(C)ccc1c2)C

STL054723
Synonyms: 7-chloro-4-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-5-amine
Smiles: CC(Nc1cc(Cl)c2c(c1[N+](=O)[O-])non2)C

STL054724
Synonyms: 2'-(2,5-dimethoxyphenyl)-7'-fluoro-1'-[(3-methoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1cccc(c1)C(=O)C1N2c3ccc(cc3C=CC2C2(C1c1cc(OC)ccc1OC)C(=O)c1c(C2=O)cccc1)F

STL054725
Synonyms: 5-(5-methyl-1H-pyrazol-3-yl)-4-({(E)-[4-(propan-2-yl)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
Smiles: Cc1[nH]nc(c1)c1nnc(n1/N=C/c1ccc(cc1)C(C)C)S

STL054726
Synonyms: (8S,8aR,11aS)-N-(4-chloro-3-nitrophenyl)-10-(3,5-dimethylphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Cc1cc(C)cc(c1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl)C=Cc2c1cccc2

STL054729
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-methoxy-3-nitrophenyl)ethylidene]-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCc1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(c(c1)[N+](=O)[O-])OC)\C

STL054730
Synonyms: N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,3-benzodioxole-5-carboxamide
Smiles: O=C1CC(c2ccccc2)n2c(=N1)[nH]c(n2)NC(=O)c1ccc2c(c1)OCO2

STL054731
Synonyms: 3-chloro-N-[(2Z)-3-[(2-fluorophenyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: Clc1cccc(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccccc1F

STL054732
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Smiles: CC[NH+](CCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C1=O)CC

STL054733
Synonyms: 1-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)-3-naphthalen-1-ylguanidine
Smiles: Oc1nc(nc(c1)CSc1ccc(cc1)Cl)NC(=N)Nc1cccc2c1cccc2

STL054734
Synonyms: (E)-[4-(benzyloxy)phenyl]{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Smiles: CC[NH+](CCN1C(c2cccs2)/C(=C(/c2ccc(cc2)OCc2ccccc2)\[O-])/C(=O)C1=O)CC

STL054735
Synonyms: 1'-[(2-chlorophenyl)carbonyl]-2'-[(3-methoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)C1C(C(=O)c2ccccc2Cl)N2C(C31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STL054736
Synonyms: 9-(prop-2-en-1-ylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7-ol
Smiles: C=CCSc1nnc2n1c(O)c1c(n2)c2ccccc2CC21CCCC2

STL054737
Synonyms: 1-(4-nitrobenzyl)-3-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: [O-][N+](=O)c1ccc(cc1)Cn1cc([n+]2c1CCC2)c1ccccc1

STL054738
Synonyms: 4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylammonio)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-ethoxyphenolate
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2C[NH+](C)C)c2nonc2N)ccc1[O-]

STL054739
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(2-hydroxy-3,5-diiodophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Ic1cc(/C=N/n2c(=S)[nH]nc2c2ccccc2Cl)c(c(c1)I)O

STL054741
Synonyms: N-[(3Z)-1-butyl-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]pyridine-2-carboxamide
Smiles: CCCCn1[nH]/c(=N\C(=O)c2ccccn2)/c2c1nc1ccc(cc1c2)C

STL054743
Synonyms: methyl2-[({[3-cyano-5-hydroxy-4-(4-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COc1ccc(cc1)C1C(=C(SCC(=O)Nc2ccccc2C(=O)OC)N=C2C1=C(O)CC(C2)(C)C)C#N

STL054747
Synonyms: (3S,3a'R,8a'S,8b'S)-5-fluoro-2'-(2-methoxy-4-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: COc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(F)cc2)[N+](=O)[O-]

STL054748
Synonyms: 1-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-benzimidazol-1-yl}-3-(2-methylphenoxy)propan-2-ol
Smiles: OC(Cn1c(=N)n(c2c1cccc2)CCN1CCOCC1)COc1ccccc1C

STL054749
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(3-nitrophenyl)dihydrofuran-2,3-dione
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)OC1c1cccc(c1)[N+](=O)[O-])/O

STL054750
Synonyms: 3-(4-chlorophenyl)-1-{2-oxo-2-[phenyl(propan-2-yl)amino]ethyl}-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Clc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)N(c1ccccc1)C(C)C

STL054751
Synonyms: N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2c2ccc(cc2)OC)ccc1OCc1ccccc1

STL054753
Synonyms: 8-ethoxy-3-(2-phenylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCOc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)CCc1ccccc1

STL054754
Synonyms: 3,4-dichloro-N-[(2E)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: COc1ccccc1c1n[nH]/c(=N\C(=O)c2ccc(c(c2)Cl)Cl)/s1

STL054755
Synonyms: 2-chloro-N-[1-(2-phenylethyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzamide
Smiles: Clc1ccccc1C(=O)Nc1n(CCc2ccccc2)c2c(c1S(=O)(=O)c1ccccc1)nc1c(n2)cccc1

STL054757
Synonyms: (4E)-4-[(4-butoxyphenyl)(hydroxy)methylidene]-5-(4-hydroxy-3-methoxyphenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CCOC)/O

STL054758
Synonyms: (4E)-5-(3-butoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

STL054759
Synonyms: (2E)-2-[(2E)-(4-bromobenzylidene)hydrazinylidene]-3-methoxy-2,3-dihydroquinazolin-4(1H)-one
Smiles: COn1/c(=N/N=C/c2ccc(cc2)Br)/[nH]c2c(c1=O)cccc2

STL054760
Synonyms: 2,2-diphenyl-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]acetamide
Smiles: O=C(C(c1ccccc1)c1ccccc1)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCCC1

STL054761
Synonyms: 10-ethyl-11-(4-methoxyphenyl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1CC)cccc2)(C)C

STL054762
Synonyms: 5,6-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: C=CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)c(C)c(s2)C

STL054763
Synonyms: 2'-[(2,4-dichlorophenyl)carbonyl]-8'-methyl-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Clc1ccc(c(c1)Cl)C(=O)C1C(C(=O)c2ccccc2)N2C(C31C(=O)Nc1c3cccc1)C=Cc1c2cc(C)cc1

STL054764
Synonyms: 5'-(3-chlorophenyl)-3'-(4-hydroxybenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Oc1ccc(cc1)CC1NC2(C3C1C(=O)N(C3=O)c1cccc(c1)Cl)C(=O)Nc1c2cccc1

STL054765
Synonyms: N'-[(1E)-1-(biphenyl-4-yl)ethylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)N/N=C(/c1ccc(cc1)c1ccccc1)\C

STL054766
Synonyms: N-[(3Z)-1,6-dimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]pyridine-2-carboxamide
Smiles: Cc1ccc2c(c1)cc1c(n2)n([nH]/c/1=N\C(=O)c1ccccn1)C

STL054767
Synonyms: (3S,3a'R,8a'S,8b'S)-5-fluoro-2'-(4-methyl-3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Fc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(c(c1)[N+](=O)[O-])C

STL054768
Synonyms: (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(4-ethoxyphenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1ccc(cc1)N/C=C\1/C(=O)N=C(N(C1=O)CCC1=CCCCC1)S

STL054769
Synonyms: N-[(3Z)-7-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]furan-2-carboxamide
Smiles: CCCn1[nH]/c(=N\C(=O)c2ccco2)/c2c1nc1cc(C)ccc1c2

STL054770
Synonyms: (E)-[2-(2,4-dichlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(propan-2-yloxy)phenyl]methanolate
Smiles: CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1Cl)Cl)Cc1ccc[nH+]c1)/[O-])C

STL054771
Synonyms: 2-methyl-4-(3-methylpiperidin-1-yl)[1]benzofuro[3,2-d]pyrimidine
Smiles: CC1CCCN(C1)c1nc(C)nc2c1oc1c2cccc1

STL054773
Synonyms: (4E)-5-(4-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Smiles: Brc1ccc(cc1)C1N(CCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STL054774
Synonyms: (5Z)-3-cyclohexyl-5-{1-[(4-ethoxyphenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCOc1ccc(cc1)N/C(=C\1/C(=NC(=O)N(C1=O)C1CCCCC1)O)/C

STL054775
Synonyms: N-[(4-fluorobenzyl)carbamoyl]leucine
Smiles: CC(CC(C(=O)O)NC(=O)NCc1ccc(cc1)F)C

STL054776
Synonyms: 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)N(C)C)CSc1nnc(n1C)c1ccc(cc1)C(C)(C)C

STL054777
Synonyms: N-[(2Z)-3-[(4-bromophenyl)amino]quinoxalin-2(1H)-ylidene]-3,4-dimethylbenzenesulfonamide
Smiles: Brc1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(c(c1)C)C

STL054779
Synonyms: 1-(6-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone
Smiles: Cc1ccc2c(c1)[nH]cc2C(=O)CNc1nccs1

STL054780
Synonyms: ethyl[(5Z)-5-{[(4-bromophenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
Smiles: CCOC(=O)Cc1n[nH]/c(=N/C(=O)c2ccc(cc2)Br)/s1

STL054781
Synonyms: (6E)-4-(1-benzofuran-2-yl)-6-[(2,4-dimethylphenyl)imino]-1,6-dihydro-1,3,5-triazin-2-amine
Smiles: Cc1ccc(c(c1)C)/N=c/1\[nH]c(N)nc(n1)c1cc2c(o1)cccc2

STL054782
Synonyms: (4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2cc(OC)c(c(c2)OC)OC)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/O

STL054783
Synonyms: 1-{2-[(3-chlorophenyl)amino]-2-oxoethyl}-3-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Clc1cccc(c1)NC(=O)Cn1cc([n+]2c1CCC2)c1ccccc1

STL054784
Synonyms: 5-(4-nitrophenyl)-2-phenyl-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(c(c1OC)OC)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STL054785
Synonyms: prop-2-en-1-yl2-chloro-5-hydroxyquinoxalino[2',3':4,5]pyrrolo[1,2-a]quinazoline-7-carboxylate
Smiles: C=CCOC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1c2cc(cc1)Cl

STL054786
Synonyms: N-[(3Z)-8-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]furan-2-carboxamide
Smiles: CCCn1[nH]/c(=N\C(=O)c2ccco2)/c2c1nc1c(C)cccc1c2

STL054787
Synonyms: (4E)-5-(4-hydroxyphenyl)-4-{hydroxy[4-(piperidin-1-ylsulfonyl)phenyl]methylidene}-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(c2ccc(cc2)O)/C(=C(/c2ccc(cc2)S(=O)(=O)N2CCCCC2)\O)/C(=O)C1=O

STL054788
Synonyms: 4-{(Z)-[2-(4-chlorobenzyl)-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenolate
Smiles: [O-]c1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=[NH2+])nc(s2)Cc1ccc(cc1)Cl

STL054789
Synonyms: {2-[(E)-{[3-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccccc1/C=N/n1c(=S)[nH]nc1c1[nH]nc2c1CCC2

STL054790
Synonyms: (2E)-2-[(2,5-dimethoxyphenyl)imino]-6-(3-methylpiperidin-1-yl)-5-nitro-2,3-dihydropyrimidin-4-amine
Smiles: COc1ccc(cc1/N=c\1/nc(N2CCCC(C2)C)c(c([nH]1)N)[N+](=O)[O-])OC

STL054792
Synonyms: 1-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}-3-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: COc1ccc(c(c1)NC(=O)Cn1cc([n+]2c1CCC2)c1ccccc1)OC

STL054793
Synonyms: N-[(2Z)-3-[(2-bromophenyl)amino]quinoxalin-2(1H)-ylidene]-3-chlorobenzenesulfonamide
Smiles: Clc1cccc(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccccc1Br

STL054794
Synonyms: 6'-amino-5-fluoro-3'-{[(4-methylphenyl)sulfanyl]methyl}-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C31C(=O)Nc1c3cc(F)cc1)c(CSc1ccc(cc1)C)[nH]n2

STL054795
Synonyms: 11-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1ccc(c(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)Cl)Cl)c(nn1c1ccccc1)C)C

STL054797
Synonyms: 11-(3-methoxyphenyl)-N-(4-methoxyphenyl)-10-methyl-8-(4-methylphenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccc(c1)OC)C)c1ccc(cc1)C

STL054798
Synonyms: 4-[3-(2-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile
Smiles: N#Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1[N+](=O)[O-]

STL054799
Synonyms: (5E)-5-({[4-(4-acetylpiperazin-1-yl)phenyl]amino}methylidene)-3-benzyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\Nc2ccc(cc2)N2CCN(CC2)C(=O)C)/C(=O)N1Cc1ccccc1

STL054800
Synonyms: (8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl4-methylbenzoate
Smiles: Cc1ccc(cc1)C(=O)OCc1cc2cccc(c2[nH]c1=O)C

STL054801
Synonyms: 3-(2-ethoxyphenoxy)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-4H-chromen-7-olate
Smiles: CCOc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2C[NH+]1CCOCC1)[O-]

STL054802
Synonyms: 4-[(3-{(2Z)-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-2,3-dihydro-1,3-thiazol-4-yl}phenyl)sulfonyl]morpholine
Smiles: O=S(=O)(c1cccc(c1)c1cs/c(=N\N=C\c2ccco2)/[nH]1)N1CCOCC1

STL054803
Synonyms: 6-amino-3-(3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: COc1cccc(c1)c1[nH]nc2c1C(c1cc(OC)c(c(c1)OC)OC)C(=C(O2)N)C#N

STL054804
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1O

STL054805
Synonyms: 7'-chloro-1'-[(4-fluorophenyl)carbonyl]-2'-(3-methoxyphenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1cccc(c1)C1C(C(=O)c2ccc(cc2)F)N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)Cl

STL054806
Synonyms: ethyl[(4-chlorophenyl)(phenylamino)methyl][4-(dimethylamino)phenyl]phosphinate
Smiles: CCOP(=O)(C(c1ccc(cc1)Cl)Nc1ccccc1)c1ccc(cc1)N(C)C

STL054807
Synonyms: N'-[(E)-(6,8-dichloro-4-oxo-4H-chromen-3-yl)methylidene]pyrrolidine-2-carbohydrazide(non-preferredname)
Smiles: Clc1cc(Cl)c2c(c1)c(=O)c(co2)/C=N/NC(=O)C1CCCN1

STL054808
Synonyms: (4E)-1-benzyl-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1Cc1ccccc1

STL054809
Synonyms: (1S)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine
Smiles: N[C@H](c1nnc(o1)SCc1ccccc1F)Cc1ccccc1

STL054810
Synonyms: N-[4-(benzyloxy)phenyl]-2-({5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)OCc2ccccc2)nnc1COc1ccc(cc1)Cl

STL054811
Synonyms: 2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
Smiles: OCCNc1nc(C)nc2c1oc1c2cccc1

STL054813
Synonyms: N-(2-methoxyphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]acetamide
Smiles: COc1ccccc1N(C(=O)C)Cc1cc(=O)[nH]c2c1cccc2

STL054815
Synonyms: 6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
Smiles: Fc1ccc2c(c1)c(cc(n2)C)C(=O)NCCc1ccccc1

STL054817
Synonyms: (E)-{2-(3-ethoxy-4-propoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STL054819
Synonyms: 2-amino-4-(2,3-dichlorophenyl)-6-phenyl-4H-pyran-3,5-dicarbonitrile
Smiles: N#CC1=C(OC(=C(C1c1cccc(c1Cl)Cl)C#N)N)c1ccccc1

STL054820
Synonyms: 3-chloro-N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: COc1cc(ccc1OC)Cc1n[nH]/c(=N/C(=O)c2cccc(c2)Cl)/s1

STL054821
Synonyms: 3-(4-fluorophenyl)-1-{2-oxo-2-[phenyl(propan-2-yl)amino]ethyl}-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Fc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)N(c1ccccc1)C(C)C

STL054822
Synonyms: 4-{[(E)-(3-hydroxyphenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)O)C

STL054823
Synonyms: dicyclohexyl[(2,4-dimethoxyphenyl)(hydroxy)methyl]phosphonate
Smiles: COc1cc(OC)ccc1C(P(=O)(OC1CCCCC1)OC1CCCCC1)O

STL054824
Synonyms: 5',7'-dimethyl-1',2'-bis[(4-methylphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Cc1ccc(cc1)C(=O)C1N2c3ccc(cc3C(=CC2C2(C1C(=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1)C)C

STL054825
Synonyms: N-[(2Z)-3-(4-bromo-2-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide
Smiles: CCCC(=O)/N=C/1\SC2C(N1c1ccc(cc1F)Br)CS(=O)(=O)C2

STL054826
Synonyms: 4-fluoro-N-[(2Z)-3-[(2-methoxyphenyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: COc1ccccc1Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)F

STL054827
Synonyms: (6Z)-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-6-{4-[(2-nitrobenzyl)oxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCc3ccccc3[N+](=O)[O-])/C2=N)s1

STL054828
Synonyms: (4E)-4-{hydroxy[4-(prop-2-en-1-yloxy)phenyl]methylidene}-1-(3-methoxypropyl)-5-(pyridin-4-yl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(c2ccncc2)/C(=C(/c2ccc(cc2)OCC=C)\O)/C(=O)C1=O

STL054829
Synonyms: 2-[(E)-{[3-(2-chlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]-5-(diethylammonio)phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])/C=N/n1c(=S)[nH]nc1c1ccccc1Cl)CC

STL054830
Synonyms: [3-(4-bromophenyl)-5-(2-chloro-7-methylquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl](tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone
Smiles: Brc1ccc(cc1)C1=NN(C(C1)c1cc2ccc(cc2nc1Cl)C)C(=O)C12CC3CC(C2)CC(C1)C3

STL054831
Synonyms: 4-{[(E)-furan-2-ylmethylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1ccco1)c1[nH]nc2c1CCC2

STL054832
Synonyms: (4E)-5-(3,4-dimethoxyphenyl)-1-hexadecyl-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCCCCCCCCCCCCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(c(c1)OC)OC

STL054833
Synonyms: N-(2-ethoxyphenyl)-N'-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: CCOc1ccccc1NC(=O)CCC(=O)/N=c\1/[nH]nc(s1)C(C)C

STL054834
Synonyms: 3-(4,5-dimethoxy-2-nitrophenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cc(c(cc1OC)[N+](=O)[O-])C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STL054836
Synonyms: 4-{(E)-hydroxy[1-(2-methoxyethyl)-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]methyl}-N,N-dimethylbenzenesulfonamide
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)S(=O)(=O)N(C)C)/O)/C1c1cccc(c1)OC

STL054839
Synonyms: 3-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenolate
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C(/c1cccc(c1)[O-])\C

STL054840
Synonyms: 4-(4-chlorophenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Cc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)C)n2c3c1CCCCn3c(c2)c1ccc(cc1)Cl

STL054841
Synonyms: 2-bromo-N-[(3Z)-1-ethyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzamide
Smiles: CCn1[nH]/c(=N\C(=O)c2ccccc2Br)/c2c1nc1c(c2)cccc1C

STL054842
Synonyms: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(3-chlorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cc(cc(c1O)Br)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)Cl)c1cccc(c1)[N+](=O)[O-]

STL054844
Synonyms: ethyl4-(4-oxo-3-{(Z)-[4-oxo-3-(3-phenylpropyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCc1ccccc1

STL054845
Synonyms: 6-amino-4-(4-fluorophenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: COc1cccc(c1)c1[nH]nc2c1C(c1ccc(cc1)F)C(=C(O2)N)C#N

STL054846
Synonyms: 7-benzyl-6-hydroxy-3-methyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CC1CCN(CC1)c1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C

STL054847
Synonyms: 2-{[4-(diethylamino)phenyl]amino}naphthalene-1,4-dione
Smiles: CCN(c1ccc(cc1)NC1=CC(=O)c2c(C1=O)cccc2)CC

STL054848
Synonyms: (4E)-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Smiles: CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1CCc1ccccc1

STL054849
Synonyms: N-[(2Z)-3-[(3,5-dimethoxyphenyl)amino]quinoxalin-2(1H)-ylidene]-3-methylbenzenesulfonamide
Smiles: COc1cc(OC)cc(c1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc(c1)C

STL054850
Synonyms: N-(2-methoxyethyl)-2-methyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: COCCNc1nc(C)nc2c1oc1c2cccc1

STL054851
Synonyms: (4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1Cc1ccccc1

STL054852
Synonyms: 2,2-dimethyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(propan-2-yl)propanamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)C(C)(C)C)C(C)C

STL054854
Synonyms: N-(4-ethylphenyl)-N'-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: CCc1ccc(cc1)NC(=O)CCC(=O)/N=c/1\[nH]nc(s1)CC(C)C

STL054855
Synonyms: 4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: CN(c1ccc(cc1)/C=N/n1c(S)nnc1c1[nH]nc2c1CCC2)C

STL054856
Synonyms: 1-(4-methylphenyl)-3-phenyl-4-[4-(prop-2-en-1-yloxy)phenyl]-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: C=CCOc1ccc(cc1)C1SCC(=Nc2c1c(nn2c1ccc(cc1)C)c1ccccc1)O

STL054857
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-(4-hydroxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)O

STL054858
Synonyms: 2'-[(4-chlorophenyl)carbonyl]-1'-[(4-methoxyphenyl)carbonyl]-5'-methyl-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)C1N2c3ccccc3C(=CC2C2(C1C(=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1)C

STL054859
Synonyms: 2-iodo-4-{(E)-[2-(morpholin-4-ium-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}phenolate
Smiles: O=C1N=C(S/C/1=C/c1ccc(c(c1)I)[O-])[NH+]1CCOCC1

STL054860
Synonyms: 4-{[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cc(ccc1O)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C

STL054861
Synonyms: 3-(4-fluorophenyl)-1-(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: O=C(Cn1cc([n+]2c1CCC2)c1ccc(cc1)F)Nc1ccc(cc1)C(C)C

STL054863
Synonyms: ethyl2-{(3E)-2-[3-(benzyloxy)phenyl]-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1cccc(c1)OCc1ccccc1

STL054864
Synonyms: N-butyl-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-3-carboxamide
Smiles: CCCCN(C(=O)c1cccnc1)Cc1cc2cccc(c2[nH]c1=O)C

STL054865
Synonyms: 2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C)nnc1c1cccc(c1)C

STL054866
Synonyms: (8E)-8-[(2E)-(4-fluorobenzylidene)hydrazinylidene]-1,3-dimethyl-7-(propan-2-yl)-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)/C=N/N=c/1\[nH]c2c(n1C(C)C)c(=O)n(c(=O)n2C)C

STL054869
Synonyms: 2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-6-methoxyphenolate
Smiles: CCCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cccc(c1[O-])OC

STL054870
Synonyms: 2-(2-{[4-amino-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)N1CCCC1)[N+](=O)[O-]

STL054872
Synonyms: (3S,3a'R,8a'S,8b'S)-1-ethyl-2'-(4-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCN1c2ccccc2[C@@]2(C1=O)N1CCC[C@H]1[C@@H]1[C@H]2C(=O)N(C1=O)c1ccc(cc1)[N+](=O)[O-]

STL054874
Synonyms: 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methylquinolin-2(1H)-one
Smiles: Fc1ccccc1c1onc(n1)c1cc2cccc(c2[nH]c1=O)C

STL054875
Synonyms: (E)-{2-[3-ethoxy-4-(pentyloxy)phenyl]-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STL054876
Synonyms: N-(4-{[(1E)-1-(4-hydroxy-2,6-dioxo-1-phenyl-1,6-dihydropyrimidin-5(2H)-ylidene)ethyl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1)O)/C

STL054877
Synonyms: 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)Cl

STL054878
Synonyms: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1c(OC)cccc1C1=NOC2C1C(=O)N(C2=O)c1ccc2c(c1)OCCO2

STL054879
Synonyms: 10a-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Smiles: O=C1CCN2C(N1)(/C=C/c1cc(ccc1Cl)[N+](=O)[O-])C(C)(C)c1c2cccc1

STL054880
Synonyms: 3-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(COc2ccc(cc2)C)nnc1SCc1cc(C)ccc1C

STL054881
Synonyms: 2-[4-(2-fluorophenyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CC(CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2F)/C1=O)C

STL054882
Synonyms: (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: C=CCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl

STL054883
Synonyms: 1,3-dimethyl-5-[(2-phenyl-1H-indol-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=Cc2c([nH]c3c2cccc3)c2ccccc2)C(=O)N1C

STL054884
Synonyms: 2,2'-benzene-1,3-diylbis[5-(4-fluorophenyl)-4-phenyl-1H-imidazole]
Smiles: Fc1ccc(cc1)c1[nH]c(nc1c1ccccc1)c1cccc(c1)c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)F

STL054885
Synonyms: 2-{[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Smiles: Cc1ccc(cc1)c1nnc(n1Cc1ccco1)SCC(=O)c1ccccc1

STL054886
Synonyms: 11-(4-ethoxyphenyl)-N-(4-ethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(cc1)CC)nc1c2cccc1

STL054887
Synonyms: 4-({2'-[(4-fluorophenyl)carbonyl]-2-oxo-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-1'-yl}carbonyl)phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)C1N2c3ccccc3C=CC2C2(C1C(=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1

STL054888
Synonyms: (8S,8aR,11aS)-N-(2-chloro-5-nitrophenyl)-10-(4-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2cc(ccc2Cl)[N+](=O)[O-])C=Cc2c1cccc2

STL054889
Synonyms: (2Z)-6-(4-benzylpiperidin-1-yl)-2-[(3-fluorophenyl)imino]-5-nitro-1,2-dihydropyrimidin-4-amine
Smiles: Fc1cccc(c1)/N=c/1\nc(N)c(c([nH]1)N1CCC(CC1)Cc1ccccc1)[N+](=O)[O-]

STL054890
Synonyms: 4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(propan-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-bromo-6-methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2C(C)C)c2nonc2[NH3+])cc(c1[O-])Br

STL054891
Synonyms: (4E)-5-(3,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1cc(C)c2c(c1)sc(n2)N1C(c2ccc(c(c2)Cl)Cl)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

STL054892
Synonyms: 3-(4-chlorophenyl)-1-(4-nitrobenzyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Clc1ccc(cc1)c1cn(c2[n+]1CCC2)Cc1ccc(cc1)[N+](=O)[O-]

STL054894
Synonyms: (2Z)-2-[(4-methylphenyl)imino]-6-(3-methylpiperidin-1-yl)-5-nitro-1,2-dihydropyrimidin-4-amine
Smiles: CC1CCCN(C1)c1[nH]/c(=N/c2ccc(cc2)C)/nc(c1[N+](=O)[O-])N

STL054895
Synonyms: 6-hydroxy-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-2H-purin-2-one
Smiles: COc1ccc(cc1)N1CCN(CC1)c1nc2c(n1CCSc1ncccn1)c(O)nc(=O)n2C

STL054896
Synonyms: 2-{[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cc(ccc2Cl)[N+](=O)[O-])nnc1c1ccc(cc1)OC

STL054897
Synonyms: (1'R,2'R)-2'-(2,3-dimethoxyphenyl)-1'-[(3-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1c(OC)cccc1[C@H]1[C@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

STL054899
Synonyms: 3-(2-chloro-5-nitrophenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2C(N(OC2C(=O)N1c1cccc2c1cccc2)c1ccccc1)c1cc(ccc1Cl)[N+](=O)[O-]

STL054900
Synonyms: 3-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
Smiles: C=CCn1c(nnc1c1ccc(cc1)OC)SCc1cccc(c1)C(F)(F)F

STL054901
Synonyms: N-[(2E)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylpropanamide
Smiles: COc1ccc(cc1)Cc1n[nH]/c(=N\C(=O)CCc2ccccc2)/s1

STL054902
Synonyms: 4-{[(E)-(4-bromophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Brc1ccc(cc1)/C=N/n1c(S)nnc1c1n[nH]c(c1)C

STL054904
Synonyms: (8E)-7-[(2E)-3-chlorobut-2-en-1-yl]-8-{(2E)-[1-(2-hydroxyphenyl)ethylidene]hydrazinylidene}-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: C/C(=C\Cn1/c(=N/N=C(/c2ccccc2O)\C)/[nH]c2c1c(=O)n(c(=O)n2C)C)/Cl

STL054905
Synonyms: prop-2-en-1-yl2-{(3E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: C=CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cc(Br)c(c(c1)OC)O

STL054906
Synonyms: butyl4-{8-[(3,4-dimethoxyphenyl)carbonyl]-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl}benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C(N1C2c2ccccc2C=C1)C(=O)c1ccc(c(c1)OC)OC

STL054907
Synonyms: (E)-[2-(4-butoxy-3-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1

STL054908
Synonyms: diethyl8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Smiles: CCOC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)OCC)c1cccc(c1)[N+](=O)[O-]

STL054909
Synonyms: 3-(3-methoxyphenyl)-2-(3-nitrophenyl)-5-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-]

STL054910
Synonyms: N-(2-bromo-4,6-difluorophenyl)-2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1c(F)cc(cc1Br)F

STL054911
Synonyms: (4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)c1nnc(s1)SCc1ccccc1Cl)/O

STL054912
Synonyms: N-[(2E)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-fluorobenzamide
Smiles: Fc1ccc(cc1)C(=O)/N=c/1\[nH]nc(s1)c1ccccc1Cl

STL054913
Synonyms: N-(2-methoxyphenyl)-2-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)C

STL054914
Synonyms: (8S,8aR,11aS)-10-benzyl-N-(4-chloro-3-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)Cc1ccccc1)Nc1ccc(c(c1)[N+](=O)[O-])Cl

STL054916
Synonyms: 6-(2,6-dimethylmorpholin-4-yl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4-diamine
Smiles: COCCCNc1nc(N)c(c(n1)N1CC(C)OC(C1)C)[N+](=O)[O-]

STL054917
Synonyms: N-(2-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc2c(c1)sc(n2)SCC(=O)NC1CC1)CSc1nnc(n1C)c1ccc(cc1Cl)Cl

STL054918
Synonyms: N-(3-chloro-4-fluorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1ccc(c(c1)Cl)F

STL054919
Synonyms: N-[(3Z)-1-ethyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)/N=c/1\[nH]n(c2c1cc1cccc(c1n2)C)CC

STL054920
Synonyms: 11-(5-bromofuran-2-yl)-10-methyl-N-(4-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Brc1ccc(o1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)C)c1ccccc1

STL054921
Synonyms: 10-(2,3-dihydro-1,4-benzodioxin-6-yl)-9,11-dioxo-N-[3-(trifluoromethyl)phenyl]-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: O=C(C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)cccc3)Nc1cccc(c1)C(F)(F)F

STL054924
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)Cl)nnc1c1cccc(c1)OC

STL054925
Synonyms: (5Z)-5-(3,4-dimethoxybenzylidene)-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: COc1cc(ccc1OC)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

STL054926
Synonyms: 4,4-dimethyl-1-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione
Smiles: [O-][N+](=O)c1ccc(cc1)n1cccc1C1OC(=O)C(C(=O)C21CCCCC2)(C)C

STL054927
Synonyms: 4-[(3-{(2Z)-2-[(2E)-(naphthalen-1-ylmethylidene)hydrazinylidene]-2,3-dihydro-1,3-thiazol-4-yl}phenyl)sulfonyl]morpholine
Smiles: O=S(=O)(c1cccc(c1)c1cs/c(=N\N=C\c2cccc3c2cccc3)/[nH]1)N1CCOCC1

STL054928
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc3c2cccc3)nnc1c1cccc(c1)C

STL054930
Synonyms: 4-{[(E)-(2-methylphenyl)methylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1ccccc1C)c1[nH]nc2c1CCC2

STL054931
Synonyms: (5Z)-5-{[(2,4-dimethoxyphenyl)amino]methylidene}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(c(c1)OC)N/C=C\1/C(=NC(=O)N(C1=O)CCc1ccc(c(c1)OC)OC)O

STL054932
Synonyms: 1'-(2,2-dimethylpropanoyl)-5',7'-dimethyl-2'-[(4-pentylphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: CCCCCc1ccc(cc1)C(=O)C1C(N2C(C31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)C)C(=O)C(C)(C)C

STL054933
Synonyms: (2E)-6-(3,5-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)imino]-5-nitro-1,2-dihydropyrimidin-4-amine
Smiles: CC1CC(C)CN(C1)c1[nH]/c(=N\c2ccccc2F)/nc(c1[N+](=O)[O-])N

STL054934
Synonyms: 7-(3-chlorophenyl)-2-propyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CCCc1nn2c(n1)c1cnn(c1nc2)c1cccc(c1)Cl

STL054935
Synonyms: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(3-hydroxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Oc1cccc(c1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]

STL054936
Synonyms: 4-chloro-N-[(2Z)-3-[(3-chloro-4-fluorophenyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(c(c1)Cl)F

STL054937
Synonyms: N,N-dibenzyl-2-(1H-indol-3-yl)ethanamine
Smiles: c1ccc(cc1)CN(Cc1ccccc1)CCc1c[nH]c2c1cccc2

STL054938
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1COc1ccc(cc1)C

STL054939
Synonyms: 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STL054940
Synonyms: 2-{1-[4-(2-methylpropyl)phenyl]ethyl}-4,5-dihydro-1H-imidazole
Smiles: CC(Cc1ccc(cc1)C(C1=NCCN1)C)C

STL054941
Synonyms: (4E)-5-(3-butoxyphenyl)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

STL054942
Synonyms: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)c(cc2OC)Cl)nnc1c1ccccc1Cl

STL054943
Synonyms: (4E)-5-[3-(benzyloxy)phenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CC1Cc2c(O1)ccc(c2)/C(=C\1/C(c2cccc(c2)OCc2ccccc2)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)F)/O

STL054944
Synonyms: (5E)-3-butyl-5-[1-(hexylamino)propylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCCCCCN/C(=C/1\C(=NC(=O)N(C1=O)CCCC)O)/CC

STL054945
Synonyms: N-(2-methoxy-5-methylphenyl)-2-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)C)C

STL054946
Synonyms: 1-(5-chloropyridin-2-yl)-3-(3,5-dimethylbenzyl)pyrrolidine-2,5-dione
Smiles: Clc1ccc(nc1)N1C(=O)CC(C1=O)Cc1cc(C)cc(c1)C

STL054947
Synonyms: 3-(2-{(Z)-[1-(3-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoicacid
Smiles: Cc1cccc(c1)N1C(=NC(=O)/C(=C/c2cccn2c2cccc(c2)C(=O)O)/C1=O)S

STL054948
Synonyms: methyl4-{(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy(3-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2cccc(c2)[N+](=O)[O-])/O)/C1c1ccc(cc1)C(=O)OC

STL054949
Synonyms: 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(2-nitrobenzylidene)hydrazinyl]carbonyl}-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
Smiles: Nc1nonc1n1nnc(c1CNc1ccccc1C(=O)N)C(=O)N/N=C/c1ccccc1[N+](=O)[O-]

STL054950
Synonyms: 4-chloro-N-[3-cyano-1-(furan-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzenesulfonamide
Smiles: N#Cc1c(NS(=O)(=O)c2ccc(cc2)Cl)n(c2c1nc1ccccc1n2)Cc1ccco1

STL054951
Synonyms: ethyl3-{[(3Z)-3-{[(3-methylphenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}benzoate
Smiles: CCOC(=O)c1cccc(c1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc(c1)C

STL054953
Synonyms: 2-[7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nnc2n1cnc1c2cnn1c1cccc(c1)Cl

STL054954
Synonyms: (1'S,2'S,3R,3a'R)-1'-[(4-nitrophenyl)carbonyl]-2'-(pyridin-4-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccncc1)C(=O)Nc1c2cccc1)c1ccc(cc1)[N+](=O)[O-]

STL054955
Synonyms: 4-[5-hydroxy-7-oxo-8-phenyl-4,4-bis(trifluoromethyl)-1,4,7,8-tetrahydropyrimido[4,5-d]pyrimidin-2-yl]benzonitrile
Smiles: N#Cc1ccc(cc1)C1=NC(c2c(N1)n(c1ccccc1)c(=O)nc2O)(C(F)(F)F)C(F)(F)F

STL054956
Synonyms: 7-ethyl-2'-(5-methoxy-2-methyl-4-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: COc1cc(c(cc1[N+](=O)[O-])C)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cccc2CC

STL054957
Synonyms: 2-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
Smiles: NCCc1nnc(o1)SCc1ccc(cc1)C

STL054959
Synonyms: N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-N'-(2,4-dimethoxyphenyl)butanediamide
Smiles: COc1cc(OC)ccc1NC(=O)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1

STL054961
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethylphenyl)methylidene]-5-{[methyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CN(c1ccccc1)C)c1nonc1N

STL054962
Synonyms: (4E)-5-[3-(benzyloxy)phenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)OCc1ccccc1

STL054963
Synonyms: 4-methyl-N-[(3E)-7-methyl-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzamide
Smiles: Cc1ccc(cc1)C(=O)/N=c\1/[nH]n(c2c1cc1ccc(cc1n2)C)CC(C)C

STL054964
Synonyms: (4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC

STL054965
Synonyms: (4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Smiles: C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

STL054966
Synonyms: 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2cc(C)ccc2C)nnc1c1cccc(c1)C

STL054967
Synonyms: 8-(4-chlorophenyl)-1,3-dimethyl-7-(4-nitrophenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1ccc(cc1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1)[N+](=O)[O-]

STL054968
Synonyms: (5E)-5-{[(3-ammoniophenyl)amino]methylidene}-1-(4-iodophenyl)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: Ic1ccc(cc1)N1C(=O)N=C(/C(=C\Nc2cccc(c2)[NH3+])/C1=O)[O-]

STL054969
Synonyms: [3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl](4-methylphenyl)methanone
Smiles: COc1ccc(cc1)c1nc2sc(c(c2c(c1)c1ccc(cc1)C)N)C(=O)c1ccc(cc1)C

STL054970
Synonyms: N'-[(E)-(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2-({5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1cccc2c1cccc2)N/N=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STL054971
Synonyms: methyl4-{[({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OC)COc1ccc(cc1)Cl

STL054972
Synonyms: N-(1-azabicyclo[2.2.2]oct-3-yl)-2-(4-chlorophenoxy)-N-(2-chlorophenyl)acetamide
Smiles: Clc1ccc(cc1)OCC(=O)N(c1ccccc1Cl)C1CN2CCC1CC2

STL054973
Synonyms: 4-{(E)-[(2E)-(1-benzyl-3,7-dimethyl-2,6-dioxo-1,2,3,6,7,9-hexahydro-8H-purin-8-ylidene)hydrazinylidene]methyl}phenylfuran-2-carboxylate
Smiles: O=C(c1ccco1)Oc1ccc(cc1)/C=N/N=c/1\[nH]c2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1

STL054974
Synonyms: 1,1'-(5-nitro-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl)dihexadecan-1-one
Smiles: CCCCCCCCCCCCCCCC(=O)N1CN2CN(CC(C1)(C2)[N+](=O)[O-])C(=O)CCCCCCCCCCCCCCC

STL054975
Synonyms: 6-amino-4-(4-chlorophenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: COc1cccc(c1)c1[nH]nc2c1C(c1ccc(cc1)Cl)C(=C(O2)N)C#N

STL054976
Synonyms: methyl4-[2-methyl-7-(thiophen-2-yl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1Oc2ccc(cc2C2=C1C(c1cccs1)n1c(N2)ncn1)C

STL054977
Synonyms: methyl3-({(E)-[1-(4-fluorobenzyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate
Smiles: COC(=O)c1cccc(c1)N/C=C/1\C(=NC(=O)N(C1=O)Cc1ccc(cc1)F)O

STL054978
Synonyms: (5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(c(c1)Cl)Cl)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STL054979
Synonyms: N,N-diethyl-3-{4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}benzenesulfonamide
Smiles: CCN(S(=O)(=O)c1cccc(c1)c1nn(cc1/C=c/1\sc2n(c1=O)c1c(n2)cccc1)c1ccccc1)CC

STL054980
Synonyms: N-(4-bromo-2-methylphenyl)-2-({4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Br)nnc1COc1ccc(cc1)C

STL054981
Synonyms: 2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate
Smiles: Cc1ccc(cc1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1ccccc1C(=O)[O-]

STL054982
Synonyms: 4-{[(E)-(3,4-dihydroxyphenyl)methylidene]amino}-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)O)O

STL054983
Synonyms: N-[(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]thiophene-2-carboxamide
Smiles: O=C(c1cccs1)/N=c/1\[nH]nc(s1)CCc1ccccc1

STL054984
Synonyms: 1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: O=C(Cn1cc([n+]2c1CCC2)c1ccccc1)Nc1cccc2c1cccc2

STL054985
Synonyms: 6-amino-3-[4-(benzyloxy)phenyl]-4-(4-chlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)Cl)c([nH]n2)c1ccc(cc1)OCc1ccccc1

STL054986
Synonyms: (E)-{1-[3-(diethylammonio)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CC[NH+](CCCN1C(c2ccc(cc2)C)/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C1=O)CC

STL054987
Synonyms: 4-(4-chlorophenyl)-3-[(3-fluorobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCc1cccc(c1)F

STL054988
Synonyms: (1'R,2'R)-7'-fluoro-2'-(3-nitrophenyl)-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Fc1ccc2c(c1)C=CC1N2[C@@H](C(=O)c2ccccc2)[C@@H]([C@@]21C(=O)c1c(C2=O)cccc1)c1cccc(c1)[N+](=O)[O-]

STL054989
Synonyms: N-[(2Z)-5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]-2-phenylacetamide
Smiles: O=C(/N=c\1/[nH]nc(s1)COc1ccccc1F)Cc1ccccc1

STL054990
Synonyms: (4E)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(thiophen-2-yl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2cccs2)/O)/C1c1ccccc1OC

STL054991
Synonyms: 4-tert-butyl-N-[(3E)-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzamide
Smiles: CCCn1[nH]/c(=N/C(=O)c2ccc(cc2)C(C)(C)C)/c2c1nc1ccccc1c2

STL054992
Synonyms: 1-(cyanomethyl)-3-(4-fluorophenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: N#CCn1cc([n+]2c1CCC2)c1ccc(cc1)F

STL054993
Synonyms: 4-[(E)-hydroxy{1-(2-methoxyethyl)-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methyl]-N,N-dimethylbenzenesulfonamide
Smiles: COCCN1C(c2ccc(cc2)C(C)C)/C(=C(/c2ccc(cc2)S(=O)(=O)N(C)C)\O)/C(=O)C1=O

STL054994
Synonyms: 7-chloro-2'-(2-chlorophenyl)-5-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Cc1cc(Cl)c2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1ccccc1Cl

STL054995
Synonyms: 4-(morpholin-4-yl)-N-[(4E)-2-(morpholin-4-yl)quinazolin-4(3H)-ylidene]aniline
Smiles: O1CCN(CC1)c1ccc(cc1)/N=c\1/[nH]c(nc2c1cccc2)N1CCOCC1