FULL DB

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

STK558245
Synonyms: N~4~-benzyl-N~2~-[2-(morpholin-4-yl)ethyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)NCCN1CCOCC1

STK558251
Synonyms: (3aR,7aS)-5-chloro-2-[2-(piperidin-1-yl)ethyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole
Smiles: ClC1=CC[C@H]2[C@@H](C1)CN(C2)CCN1CCCCC1

STK558255
Synonyms: 6-(4-ethylpiperazin-1-yl)-N~2~-methyl-5-nitro-N~2~-phenylpyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N(c1ccccc1)C

STK558259
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-[2-oxo-1-(prop-2-en-1-yl)-1,2-dihydro-3H-indol-3-ylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: C=CCN1C(=O)/C(=c/2\sc3n(c2=O)nc(c(=O)n3)Cc2ccccc2Cl)/c2c1cccc2

STK558267
Synonyms: 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Smiles: Oc1cc(ccc1O)C1=Nn2c(SC1)nnc2c1ccc(cc1)C(C)(C)C

STK845606
Synonyms: 4-(3-acetylphenoxy)benzene-1,2-dicarbonitrile
Smiles: N#Cc1cc(ccc1C#N)Oc1cccc(c1)C(=O)C

STK558270
Synonyms: ethyl7-[(2-chloro-4-fluorobenzyl)oxy]-3-(3,4-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3ccc(cc3Cl)F)ccc2c(=O)c1c1ccc(c(c1)OC)OC

STK558271
Synonyms: 7-[(2-methylprop-2-en-1-yl)sulfanyl]-4-(2-methylpropyl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CSc1nc(SCC(=C)C)c2c(n1)c1c(s2)nc(c2c1CCC2)CC(C)C

STK558272
Synonyms: 6-(4-benzylpiperidin-1-yl)-N~2~,N~2~-diethyl-5-nitropyrimidine-2,4-diamine
Smiles: CCN(c1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-])CC

STK558274
Synonyms: 7-[(2-chloro-6-fluorobenzyl)oxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propyl-4H-chromen-4-one
Smiles: CCCc1cc2c(cc1OCc1c(F)cccc1Cl)occ(c2=O)c1ccc2c(c1)OCCO2

STK558281
Synonyms: 2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile
Smiles: COc1ccc(cc1)C1(CCC(=O)N1c1ccccc1)C#N

STK558292
Synonyms: 5-amino-7-(2-chlorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Smiles: N#CC1=C(N)N2C(=O)CSC2=C(C1c1ccccc1Cl)C#N

STK558294
Synonyms: 2-{[5-(benzylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCc2s1

STK845609
Synonyms: 3-chloro-N-[(2E)-3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1)Cl)Cc1ccco1)nc1n(c2=O)cccc1C

STK558295
Synonyms: N'-[(E)-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}methylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OCc1ccccc1Cl

STK558300
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl(2E)-3-phenylprop-2-enoate
Smiles: O=C(Oc1ccc2c(c1)oc(c(c2=O)c1nc2c(s1)cccc2)C)/C=C/c1ccccc1

STK558302
Synonyms: 2-(4-ethylpiperazin-1-yl)-5-nitro-N-phenylpyrimidine-4,6-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK558308
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-ethyl-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCn1c(SCc2ccccc2Cl)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK845612
Synonyms: 2-[2-({4-amino-6-[(3-fluorophenyl)amino]-5-nitropyrimidin-2-yl}amino)ethoxy]ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)Nc1cccc(c1)F)[N+](=O)[O-]

STK558312
Synonyms: 5-(2-chlorophenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccccc1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1

STK558316
Synonyms: (2E)-3-(3,4-diethoxyphenyl)-2-{[(4-methylphenyl)carbonyl]amino}prop-2-enoicacid
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)O)/NC(=O)c1ccc(cc1)C

STK558319
Synonyms: 6-(4-benzylpiperidin-1-yl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)NCc1ccco1

STK845614
Synonyms: N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: Clc1ccc(cc1)CNc1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]

STK845615
Synonyms: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl3,4-dimethoxybenzoate
Smiles: CCc1cc2c(cc1OC(=O)c1ccc(c(c1)OC)OC)occ(c2=O)c1nc2c(s1)cccc2

STK845616
Synonyms: 3-(3-chlorophenyl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)COc1ccccc1

STK558330
Synonyms: 2,4-dichloro-N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1Cl)Cl)C(C)C)nc1n(c2=O)cccc1C

STK558331
Synonyms: 2-(4-methylpiperidin-1-yl)-5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine
Smiles: CC1CCN(CC1)c1nc(N2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK558338
Synonyms: 6-(4-benzylpiperidin-1-yl)-N~2~-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine
Smiles: Clc1ccc(cc1)Nc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK558339
Synonyms: (3aR,6aS)-3-(2,4-dichlorophenyl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1

STK845619
Synonyms: 3-(2-methoxyphenyl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nnc2n1nc(s2)COc1ccccc1

STK845620
Synonyms: N-(5-bromopyridin-2-yl)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
Smiles: Brc1ccc(nc1)NC(=O)C12CCC(C2(C)C)(C(=O)C1=O)C

STK558349
Synonyms: 2-({6-amino-2-[(3-methylphenyl)amino]-5-nitropyrimidin-4-yl}amino)ethanol
Smiles: OCCNc1nc(Nc2cccc(c2)C)nc(c1[N+](=O)[O-])N

STK558352
Synonyms: 4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)n1nc(c2c1CCCC2)C(F)(F)F

STK845623
Synonyms: 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1ccc(cc1)C

STK845624
Synonyms: N-(2,5-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: COc1ccc(cc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)C)OC

STK558360
Synonyms: (1R,3R)-3-(2,2-dimethylpropanoyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazine-1-carbonitrile
Smiles: N#C[C@@H]1C[C@@H](N2C1c1ccccc1C=N2)C(=O)C(C)(C)C

STK558365
Synonyms: methyl6-methoxy-3-{[(2-methylpiperidin-1-yl)acetyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCCCC1C)ccc(c2)OC

STK558366
Synonyms: 3-(4-ethoxyphenyl)-6-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)C

STK558367
Synonyms: N~1~-[(E)-pyridin-2-ylmethylidene]-1H-tetrazole-1,5-diamine
Smiles: Nc1nnnn1/N=C/c1ccccn1

STK558377
Synonyms: N~4~-cyclohexyl-N~2~-[3-(morpholin-4-yl)propyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NC1CCCCC1)NCCCN1CCOCC1

STK558379
Synonyms: 2-({[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: CCOc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1cccnc1

STK558382
Synonyms: 2-(5-methyl-1H-pyrazol-1-yl)-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1cccnc1

STK845626
Synonyms: 4,8,10-trimethyl-3,4-dihydro-1H-pyrido[3',2':4,5]thieno[3,2-e][1,4]diazepine-2,5-dione
Smiles: O=C1CN(C)C(=O)c2c(N1)c1c(C)cc(nc1s2)C

STK558385
Synonyms: (5Z)-2-[(4-bromophenyl)amino]-5-(2,3-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: COc1cccc(c1OC)/C=C/1\SC(=NC1=O)Nc1ccc(cc1)Br

STK558388
Synonyms: (5Z)-5-(2,3-dimethoxybenzylidene)-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
Smiles: COc1cccc(c1OC)/C=C/1\SC(=O)N(C1=O)c1ccc(cc1)O

STK558389
Synonyms: 3-(2-nitrobutyl)-1H-indole
Smiles: CCC([N+](=O)[O-])Cc1c[nH]c2c1cccc2

STK558391
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1ccc(nc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK845627
Synonyms: ethyl2-tert-butyl-5-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1cc(OC)c(c(c1)OC)OC

STK558398
Synonyms: N~4~-(3-fluorophenyl)-N~2~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1cccc(c1)F)[N+](=O)[O-]

STK558402
Synonyms: (4aR,4bS,7aR,8S)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1N(C2CCCCC2)C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2C=CC=N1)C(=O)C(C)(C)C

STK558405
Synonyms: 3-(2,4-dimethylphenyl)-2-pentylquinazolin-4(3H)-one
Smiles: CCCCCc1nc2ccccc2c(=O)n1c1ccc(cc1C)C

STK558408
Synonyms: (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1

STK558415
Synonyms: N'-[(E)-(5-methylfuran-2-yl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: Cc1ccc(o1)/C=N/NC(=O)Cn1nccc1C

STK558417
Synonyms: 2-(2,6-dimethylpiperidin-1-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1C(C)CCCC1C)c([nH]2)C

STK845633
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enenitrile
Smiles: COc1ccc(c(c1)OC)/C=C(/c1nc2c(o1)cccc2)\C#N

STK558424
Synonyms: N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-methylbenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1C)C(C)C)nc1n(c2=O)cccc1C

STK558425
Synonyms: N~4~-(4-fluorophenyl)-5-nitro-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: Fc1ccc(cc1)Nc1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK558431
Synonyms: N~2~-(3,4-dimethylphenyl)-5-nitro-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)nc(nc1N)Nc1ccc(c(c1)C)C

STK558432
Synonyms: 5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: NNc1nc2c3ccccc3CC(c2c(=O)n1CCc1ccccc1)(C)CC

STK845634
Synonyms: methyl2-{[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]amino}benzoate
Smiles: N#C/C(=C\Nc1ccccc1C(=O)OC)/c1nc2c(s1)cccc2

STK845635
Synonyms: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-[(4-fluorobenzyl)oxy]phenol
Smiles: CCc1cc(c(cc1OCc1ccc(cc1)F)O)c1n[nH]c(c1c1ccc2c(c1)OCCCO2)C

STK558443
Synonyms: 2-[2-({4-amino-6-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-2-yl}amino)ethoxy]ethanol
Smiles: OCCOCCNc1nc(Nc2ccc(cc2)OCC)c(c(n1)N)[N+](=O)[O-]

STK558454
Synonyms: N-(4-chlorophenyl)-2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)c1CCN(Cc1s2)C

STK558459
Synonyms: 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Nc1nc(c(s1)c1n[nH]c(=S)n1C)C

STK845637
Synonyms: 3-(4-tert-butylphenyl)-6-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C

STK558463
Synonyms: 4-(2-ethylpiperidin-1-yl)-2-(pyridin-4-yl)quinazoline
Smiles: CCC1CCCCN1c1nc(nc2c1cccc2)c1ccncc1

STK558464
Synonyms: (2E)-N-({4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl}carbamothioyl)-3-phenylprop-2-enamide
Smiles: COc1ccc(nn1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccccc1

STK558465
Synonyms: N-(2,4-dimethoxyphenyl)-2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1CC

STK558467
Synonyms: ethyl4-{[7-(naphthalen-1-ylmethoxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1cccc2c1cccc2

STK558468
Synonyms: N~4~-(2-methoxyphenyl)-5-nitro-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: COc1ccccc1Nc1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK845638
Synonyms: N~4~-(3-chlorophenyl)-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
Smiles: CNc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]

STK558477
Synonyms: N~4~-cyclohexyl-N~2~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)Nc1ccc(c(c1)C)C

STK558478
Synonyms: (5E)-6-(4-methylphenyl)-5-(2-phenylhydrazinylidene)-2,5-dihydropyridazine-3,4-dione
Smiles: Cc1ccc(cc1)C1=NNC(=O)C(=O)/C/1=N/Nc1ccccc1

STK845642
Synonyms: 2-[(4-methoxyphenoxy)methyl]-5-[(1-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccc(cc1)OC

STK558486
Synonyms: 2'-(1,3-benzodioxol-5-yl)-1-benzyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: c1ccc(cc1)CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)OCO2

STK845643
Synonyms: methyl5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate
Smiles: COC(=O)c1n[nH]c(c1)c1ccc(cc1)[N+](=O)[O-]

STK558490
Synonyms: 2-({6-amino-2-[(4-ethoxyphenyl)amino]-5-nitropyrimidin-4-yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccc(cc2)OCC)nc(c1[N+](=O)[O-])N

STK558491
Synonyms: 2-[4-(dimethylamino)quinazolin-2-yl]-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc2ccccc2c(n1)N(C)C

STK845644
Synonyms: 2-[(2-fluorophenoxy)methyl]-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1ccccc1F

STK845645
Synonyms: 7-[(2-chloro-6-fluorobenzyl)oxy]-3-(2-methoxyphenoxy)-4H-chromen-4-one
Smiles: COc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCc1c(F)cccc1Cl

STK845646
Synonyms: ethyl4-({7-[(dimethylcarbamoyl)oxy]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N(C)C

STK845647
Synonyms: ethyl4-[({[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1c1sc(nc1C)N

STK558496
Synonyms: N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1)[N+](=O)[O-])C(C)C)nc1n(c2=O)cccc1C

STK558497
Synonyms: N-[(2,5-dichlorophenyl)carbamoyl]-L-phenylalanine
Smiles: O=C(Nc1cc(Cl)ccc1Cl)N[C@H](C(=O)O)Cc1ccccc1

STK845648
Synonyms: 2-[5-(6-bromo-4H-1,3-benzodioxin-8-yl)-1H-pyrazol-3-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1n[nH]c(c1)c1cc(Br)cc2c1OCOC2

STK558504
Synonyms: 7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)c1ccccc1OC

STK558506
Synonyms: 7-cyclohexyl-1,3-dimethyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Smiles: O=c1n(C)c2NC(=NC(c2c(=O)n1C)(C(F)(F)F)C(F)(F)F)C1CCCCC1

STK558507
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-6-(morpholin-4-yl)-5-nitropyrimidin-4-amine
Smiles: CC1CC(C)CN(C1)c1nc(N)c(c(n1)N1CCOCC1)[N+](=O)[O-]

STK845650
Synonyms: 3-(2-methoxyphenyl)-6-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nnc2n1nc(s2)c1cccs1

STK845651
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-N-[2-(morpholin-4-yl)ethyl]-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CC1(C)SCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCCN1CCOCC1

STK558513
Synonyms: N-(4-acetylphenyl)-2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)C)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK845652
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-methyl-3-nitrobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2cccc(c2C)[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK845653
Synonyms: 3-(4-tert-butylphenyl)-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cc(ccc1OC)c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C

STK558517
Synonyms: 2-({6-amino-2-[(3-fluorophenyl)amino]-5-nitropyrimidin-4-yl}amino)ethanol
Smiles: OCCNc1nc(Nc2cccc(c2)F)nc(c1[N+](=O)[O-])N

STK845654
Synonyms: 3-(3-chlorophenyl)-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cc(ccc1OC)c1nn2c(s1)nnc2c1cccc(c1)Cl

STK558521
Synonyms: 3-phenyl-1,2,5-oxadiazole2-oxide
Smiles: [O-][n+]1oncc1c1ccccc1

STK558524
Synonyms: 4-[(4-nitrophenyl)sulfanyl]buta-2,3-dien-1-ol
Smiles: OCC=C=CSc1ccc(cc1)[N+](=O)[O-]

STK845655
Synonyms: 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl3-cyclopentylpropanoate
Smiles: O=C(Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2)CCC1CCCC1

STK558528
Synonyms: N~4~-(4-ethoxyphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK558529
Synonyms: N~4~-(3,4-dimethylphenyl)-N~2~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]

STK558531
Synonyms: 3-[(3-chlorobenzyl)oxy]-2-(3,5-dimethyl-1H-pyrazol-1-yl)quinazolin-4(3H)-one
Smiles: Clc1cccc(c1)COn1c(=O)c2ccccc2nc1n1nc(cc1C)C

STK558534
Synonyms: N~4~-(2-methoxyphenyl)-N~2~-[2-(morpholin-4-yl)ethyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccccc1Nc1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK558535
Synonyms: 3-(2,4-dimethylphenyl)-2-[(E)-2-(pyridin-3-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2cccnc2)nc2c(c1=O)cccc2

STK558536
Synonyms: 2-amino-1-cyclohexyl-N-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COc1ccc(cc1)CCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)C1CCCCC1

STK558537
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4,5-triethoxybenzamide
Smiles: CCCCn1/c(=N/C(=O)c2cc(OCC)c(c(c2)OCC)OCC)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK558539
Synonyms: N-(1-acetyl-1H-indol-3-yl)-2-chloro-N-(4-methylphenyl)acetamide
Smiles: ClCC(=O)N(c1cn(c2c1cccc2)C(=O)C)c1ccc(cc1)C

STK558542
Synonyms: 6-(4-benzylpiperidin-1-yl)-5-nitro-N~2~-(prop-2-en-1-yl)pyrimidine-2,4-diamine
Smiles: C=CCNc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK845659
Synonyms: 3-(2-methoxyphenyl)-6-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cccc(c1)c1nn2c(s1)nnc2c1ccccc1OC

STK558560
Synonyms: 3-(4-tert-butylphenyl)-6-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CC(c1ccc(cc1)c1nnc2n1nc(s2)c1cccnc1)(C)C

STK558562
Synonyms: N~2~-(butan-2-yl)-N~4~-(3-chlorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCC(Nc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-])C

STK845663
Synonyms: 2-methoxyethyl5-[(ethoxycarbonyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)OCC

STK558563
Synonyms: (2Z)-3-amino-2-{(E)-[1-(2,6-dichlorophenyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}-3-[(2-hydroxyethyl)amino]prop-2-enenitrile
Smiles: OCCN/C(=C(/C=C/1\c2ccccc2N(C1=O)c1c(Cl)cccc1Cl)\C#N)/N

STK558568
Synonyms: 5-[(2-chloro-6-fluorobenzyl)oxy]-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
Smiles: COc1ccccc1c1c(C)[nH]nc1c1ccc(cc1O)OCc1c(F)cccc1Cl

STK558569
Synonyms: 6-(biphenyl-4-yl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1ccccc1c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK558571
Synonyms: 2,6-bis(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CN1CCN(CC1)c1nc(N)c(c(n1)N1CCN(CC1)C)[N+](=O)[O-]

STK558574
Synonyms: 7-methoxy-4-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)Cc1cccc(c1)C(F)(F)F

STK845664
Synonyms: methyl{7-[(4-fluorobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OCc1ccc(cc1)F

STK558586
Synonyms: 2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK558587
Synonyms: 2-[4-(4-methoxyphenoxy)quinazolin-2-yl]phenol
Smiles: COc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccc1O

STK845665
Synonyms: N~2~-(4-methylbenzyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
Smiles: CC1CCN(CC1)c1nc(NCc2ccc(cc2)C)nc(c1[N+](=O)[O-])N

STK558589
Synonyms: 6-(2-methylphenyl)-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)c1ccccc1C

STK558591
Synonyms: 3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl4-methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1cccc(c1)OC)C(F)(F)F

STK558593
Synonyms: methyl5-bromo-1-[4-(dimethylamino)phenyl]-6-oxo-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cc(Br)c(=O)n(c1)c1ccc(cc1)N(C)C

STK845667
Synonyms: ethyl2-{[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]amino}benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C(/c1nc2c(s1)cccc2)\C#N

STK845668
Synonyms: N~2~-benzyl-N~4~-(4-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Fc1ccc(cc1)Nc1nc(NCc2ccccc2)nc(c1[N+](=O)[O-])N

STK558596
Synonyms: 6-(4-benzylpiperidin-1-yl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)N1CCCC1

STK558598
Synonyms: N~4~-benzyl-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)CNc1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK558600
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4,5-trimethoxybenzamide
Smiles: COCCCn1/c(=N/C(=O)c2cc(OC)c(c(c2)OC)OC)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK558625
Synonyms: methyl4-({7-[(2-chlorobenzyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccccc1Cl

STK845675
Synonyms: 6-(2-methylphenyl)-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1ccccc1c1nn2c(s1)nnc2COc1ccccc1

STK845676
Synonyms: 1,3-dimethyl-8-[(2-phenylethyl)amino]-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(NCCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK558628
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)CC(C1)C

STK845678
Synonyms: N-[(7,7-dimethyl-1,5,7,8-tetrahydropyrano[4,3-b]pyrazolo[4,3-e]pyridin-3-yl)carbamothioyl]benzamide
Smiles: S=C(Nc1n[nH]c2c1cc1COC(Cc1n2)(C)C)NC(=O)c1ccccc1

STK558635
Synonyms: N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1)[N+](=O)[O-])CC(C)C)nc1n(c2=O)cccc1C

STK845681
Synonyms: 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl(2E)-3-phenylprop-2-enoate
Smiles: O=C(Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2)/C=C/c1ccccc1

STK558649
Synonyms: N-(3-methoxypropyl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: COCCCNc1nnnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK845682
Synonyms: 2-[4-(benzyloxy)phenyl]-4-oxo-1-phenylazetidine-2-carbonitrile
Smiles: N#CC1(CC(=O)N1c1ccccc1)c1ccc(cc1)OCc1ccccc1

STK558653
Synonyms: N-[(2E)-3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-fluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1F)Cc1ccco1)nc1n(c2=O)cccc1C

STK558654
Synonyms: (3aR,6aS)-5-(4-methylphenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1cccc(c1)[N+](=O)[O-]

STK558656
Synonyms: N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]acetamide
Smiles: CCCCn1/c(=N/C(=O)C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK558658
Synonyms: 2-(4-tert-butyl-2,6-dimethylbenzyl)-4,5-dihydro-1H-imidazole
Smiles: Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C

STK558664
Synonyms: N-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4-dimethylbenzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccc(c(c2)C)C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK558668
Synonyms: ethyl3-(1,3-benzothiazol-2-yl)-7-{[(2-bromophenyl)carbonyl]oxy}-4-oxo-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)c1ccccc1Br

STK558671
Synonyms: ethyl(2Z)-2-{[(2-bromophenyl)carbonyl]imino}-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2ccccc2Br)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK845689
Synonyms: ethyl7-[(4-fluorobenzyl)oxy]-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3ccc(cc3)F)ccc2c(=O)c1c1ccc(cc1)OC

STK558678
Synonyms: N-(butan-2-yl)-2-(pyridin-2-yl)quinazolin-4-amine
Smiles: CCC(Nc1nc(nc2c1cccc2)c1ccccn1)C

STK845690
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Cl)cc2c1OCOC2)/c1nc2c(o1)cccc2

STK558683
Synonyms: N~2~-(4-chlorophenyl)-N~4~-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccccc1Nc1nc(Nc2ccc(cc2)Cl)nc(c1[N+](=O)[O-])N

STK558697
Synonyms: 4-(4-cyclohexylpiperazin-1-yl)-7-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)C1CCCCC1

STK845691
Synonyms: 2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: Cc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1

STK845692
Synonyms: N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzamide
Smiles: Cc1ccc(cc1)N1C2=C(C(C1=O)(NC(=O)c1ccccc1)C(F)(F)F)C(=O)CC(C2)(C)C

STK558702
Synonyms: 2-{[4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]amino}ethanol
Smiles: OCCNc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1

STK558726
Synonyms: 8-amino-3-benzyl-7-methylbenzo[g]pteridine-2,4(1H,3H)-dione
Smiles: Nc1cc2nc3[nH]c(=O)n(c(=O)c3nc2cc1C)Cc1ccccc1

STK558729
Synonyms: 1-cyclohexyl-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
Smiles: O=C1CC(C)(C)CC2=C1C(O)(C(=O)N2C1CCCCC1)C(F)(F)F

STK558730
Synonyms: N-(7-methyl-1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide
Smiles: CCCn1nc(c2c1nc1cc(C)ccc1c2)NC(=O)c1cccnc1

STK845698
Synonyms: 7-(2-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Fc1ccc(cc1)C1=CC(n2c(N1)ncn2)c1ccccc1F

STK558733
Synonyms: 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Smiles: N#Cc1cc2CCCc2nc1Cl

STK845703
Synonyms: N-(3-fluorophenyl)-2-(morpholin-4-yl)-5-nitropyrimidine-4,6-diamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCOCC1

STK845704
Synonyms: 6-(4-ethoxyphenyl)-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nn2c(s1)nnc2c1ccncc1

STK558746
Synonyms: N,N-dimethyl-N'-[4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]ethane-1,2-diamine
Smiles: CN(CCNc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1)C

STK558747
Synonyms: 5-hydrazinyl-2-methyl-1,3-oxazole-4-carbonitrile
Smiles: NNc1oc(nc1C#N)C

STK558752
Synonyms: N-(2-{4,4-dimethyl-2-[(4-methylphenyl)amino]-6-oxocyclohex-1-en-1-yl}-1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine-4-carboxamide
Smiles: Cc1ccc(cc1)NC1=C(C(=O)CC(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccncc1

STK558756
Synonyms: 4-amino-8,9,10,11-tetrahydropyrimido[1',2':1,5]pyrazolo[3,4-b]quinoline-3-carbonitrile
Smiles: N#Cc1cnc2n(c1N)nc1c2cc2c(n1)CCCC2

STK845707
Synonyms: N-[6,6-dimethyl-2,4-dioxo-1-(tetrahydrofuran-2-ylmethyl)-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzamide
Smiles: O=C(c1ccccc1)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)CC1CCCO1)C(F)(F)F

STK558757
Synonyms: 3-(3-chlorophenyl)-6-(thiophen-2-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)Cc1cccs1

STK845709
Synonyms: N-cyclohexyl-5-nitro-2-(pyrrolidin-1-yl)pyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)N1CCCC1

STK845710
Synonyms: 2-[(4-fluorophenoxy)methyl]-5-[(4-methoxybenzyl)amino]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NCc1ccc(cc1)OC)COc1ccc(cc1)F

STK845711
Synonyms: N-[1-cyclohexyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzamide
Smiles: O=C(c1ccccc1)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)C1CCCCC1)C(F)(F)F

STK558762
Synonyms: 5-nitro-2,6-di(piperidin-1-yl)pyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)N1CCCCC1

STK558773
Synonyms: 7-hydroxy-1-(pentan-2-yl)-4-[4-(pentyloxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCCCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(CCC)C)O

STK845715
Synonyms: 2-{(4E)-4-[(4-chlorophenyl)imino]-3,4-dihydroquinazolin-2-yl}phenol
Smiles: Clc1ccc(cc1)/N=c\1/[nH]c(nc2c1cccc2)c1ccccc1O

STK845716
Synonyms: 1-(4-chlorophenyl)-3-[(2Z)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea
Smiles: CC1S/C(=N\C(=O)Nc2ccc(cc2)Cl)/NC1=O

STK845717
Synonyms: 1-cycloheptyl-4-(4-ethoxyphenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCCC1)O

STK558785
Synonyms: N-ethyl-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-2-phenoxyacetamide
Smiles: CCN(C(=O)COc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O

STK558814
Synonyms: 5-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCCCC1C(=NC(=O)N(C1=O)CCc1ccc(c(c1)OC)OC)O

STK558815
Synonyms: 5-{[6-hydroxy-4-oxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,4-dihydropyrimidin-5-yl](pyridinium-4-yl)methyl}-6-oxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-4-olate
Smiles: C=CCn1c(S)nc(=O)c(c1O)C(c1c([O-])nc(n(c1=O)CC=C)S)c1cc[nH+]cc1

STK558816
Synonyms: 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Fc1ccc2c(c1)c1nc(S)n(c(=O)c1[nH]2)Cc1ccccc1

STK558823
Synonyms: 5-(3-methoxyphenyl)-7-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1cccc(c1)C1=CC(c2ccccc2)n2c(=N1)[nH]cn2

STK558824
Synonyms: 3-(3-chlorophenyl)-2-hydroxy-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1cccc(c1)n1c(O)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK558828
Synonyms: N-{(5Z)-2-phenyl-5-[(phenylcarbonyl)imino]-2,5-dihydro-1H-1,2,4-triazol-3-yl}furan-2-carboxamide
Smiles: O=C(c1ccccc1)/N=c/1\[nH]n(c(n1)NC(=O)c1ccco1)c1ccccc1

STK558831
Synonyms: (E)-{2-(furan-2-yl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(morpholin-4-ylsulfonyl)phenyl]methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc(cc2)S(=O)(=O)N2CCOCC2)/[O-])/C(N1CC[NH+]1CCOCC1)c1ccco1

STK558840
Synonyms: N-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-phenylpropanamide
Smiles: O=C(NC1(C(=O)Nc2c1c(O)nc(=O)n2c1ccc(cc1)F)C(F)(F)F)CCc1ccccc1

STK845731
Synonyms: 4-[(4Z)-4-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydrophthalazin-1-yl]phenol
Smiles: Oc1ccc(cc1)c1n[nH]/c(=N\c2cccc(c2)C(F)(F)F)/c2c1cccc2

STK558846
Synonyms: N-[4-({(E)-[1-(2-methoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)phenyl]acetamide
Smiles: COc1ccccc1N1C(=NC(=O)/C(=C\Nc2ccc(cc2)NC(=O)C)/C1=O)S

STK558848
Synonyms: 2-{(6Z)-6-[(2-fluorophenyl)imino]-4-methyl-1,6-dihydropyrimidin-2-yl}phenol
Smiles: Cc1c/c(=N/c2ccccc2F)/[nH]c(n1)c1ccccc1O

STK558857
Synonyms: 4-hydroxy-10-(4-methylphenyl)-7-nitropyrimido[4,5-b]quinolin-2(10H)-one
Smiles: Cc1ccc(cc1)n1c2ccc(cc2cc2c1nc(=O)nc2O)[N+](=O)[O-]

STK558865
Synonyms: 4-(4-methylphenyl)-1,3-diphenyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1ccc(cc1)C)c(nn2c1ccccc1)c1ccccc1

STK558871
Synonyms: (2-methoxy-5-{[(1Z)-4-[4-methyl-3-(piperidin-1-ylsulfonyl)phenyl]phthalazin-1(2H)-ylidene]amino}phenyl)(piperidin-1-yl)methanone
Smiles: COc1ccc(cc1C(=O)N1CCCCC1)/N=c/1\[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCCCC1)C

STK558875
Synonyms: N-[(2Z)-7-ethoxy-4-methylquinazolin-2(3H)-ylidene]-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine
Smiles: CCOc1ccc2c(c1)n/c(=N\C1=NC(C=C(N1)C)(C)C)/[nH]c2C

STK558882
Synonyms: [8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-9-ium-7-yl]acetate
Smiles: [O-]C(=O)Cn1c(NCc2ccccc2)[nH+]c2c1c(=O)n(c(=O)n2C)C

STK558898
Synonyms: 1-[(2Z)-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-methylphenyl)urea
Smiles: CCOCCc1n[nH]/c(=N/C(=O)Nc2ccc(cc2)C)/s1

STK558903
Synonyms: {[4,6-dihydroxy-5-(propan-2-yl)pyrimidin-2-yl]sulfanyl}aceticacid
Smiles: CC(c1c(O)nc(nc1O)SCC(=O)O)C

STK558913
Synonyms: 2-methyl-3-({(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]methylidene}amino)quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)N1N=C(C(C1=O)/C=N/n1c(C)nc2c(c1=O)cccc2)C

STK558914
Synonyms: 2-{(4Z)-4-[(2,5-dimethylphenyl)imino]-3,4-dihydroquinazolin-2-yl}-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc2ccccc2/c(=N/c2cc(C)ccc2C)/[nH]1

STK558918
Synonyms: (E)-{2-(furan-2-yl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)CCCn1c[nH+]cc1)/[O-]

STK845752
Synonyms: N-[(4Z)-1-benzyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]-3,4-dimethoxyaniline
Smiles: COc1cc(ccc1OC)/N=c/1\nc[nH]c2c1cnn2Cc1ccccc1

STK845753
Synonyms: N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]cyclobutanecarboxamide
Smiles: CCc1n[nH]/c(=N\C(=O)C2CCC2)/s1

STK558938
Synonyms: 4-(2-bromo-4-methylphenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(c(c1)Br)n1c(=S)[nH]nc1[C@@H]1C[C@H]1c1ccccc1

STK558941
Synonyms: 1-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
Smiles: Clc1ccc(cc1)C1=CC(n2c(=N1)[nH]c(n2)N1C(=O)CCC1=O)c1ccccc1Cl

STK558951
Synonyms: 6-hydroxy-3-methyl-8-[(2-phenylethyl)sulfanyl]-7-propyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCn1c(SCCc2ccccc2)nc2c1c(O)nc(=O)n2C

STK558959
Synonyms: methyl{[4-(1,3-benzodioxol-5-yl)-3-cyano-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(C2=C(CCCC2=N1)O)c1ccc2c(c1)OCO2

STK558960
Synonyms: 6-chloro-4-phenyl-3-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}quinolin-2-ol
Smiles: COc1cc(cc(c1OC)OC)c1nnc(n1CCc1ccccc1)Sc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STK558966
Synonyms: 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-cyclohexyl-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1C1CCCCC1)CSc1nc2c(s1)cccc2

STK558973
Synonyms: 4-chloro-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
Smiles: Cc1ccc(cc1)N(C(=O)c1ccc(cc1)Cl)Cc1cc2ccc(cc2[nH]c1=O)C

STK845767
Synonyms: 1-cycloheptyl-4-(3,4-dimethoxyphenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: COc1cc(ccc1OC)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCCC1)O

STK845768
Synonyms: 2-imino-5-phenyl-2,3,5,6-tetrahydro-1,3-benzothiazol-7(4H)-one
Smiles: O=C1CC(Cc2c1sc(=N)[nH]2)c1ccccc1

STK845769
Synonyms: N'-[(E)-(2,6-dichlorophenyl)methylidene]-2-(3-hydroxy-1H-pyrazol-5-yl)acetohydrazide
Smiles: O=C(Cc1[nH]nc(c1)O)N/N=C/c1c(Cl)cccc1Cl

STK558987
Synonyms: 2-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium-2-yl)-4-iodophenolate
Smiles: C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1cc(I)ccc1[O-])O

STK558990
Synonyms: 5-(2,4-dihydroxy-5H-chromeno[2,3-d]pyrimidin-5-yl)-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: OC1=NC(=O)C(C(=N1)O)C1c2ccccc2Oc2c1c(O)nc(n2)O

STK559011
Synonyms: (5Z)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-3-(2-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C\Nc1c(C)n(n(c1=O)c1ccccc1)C)c1ccccc1F

STK559015
Synonyms: (4E)-2-(4-fluorophenyl)-5-hydroxy-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Fc1ccc(cc1)N1N=C(/C(=C\c2ccc(o2)c2ccc3c(c2)COC3=O)/C1=O)O

STK559023
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCCn1cc[nH+]c1)/[O-]

STK559028
Synonyms: (E)-(3-chloro-4-methoxyphenyl)[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)c1cccc[nH+]1)/[O-]

STK559032
Synonyms: 4-[(E)-{2-[(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2-ethoxyphenolate
Smiles: CCOc1cc(/C=N/NC(=O)CSc2oc3c([nH+]2)cccc3)ccc1[O-]

STK559042
Synonyms: 4-hydroxy-9-methyl-2H-pyrido[1,2-a]pyrimidin-2-one
Smiles: O=c1cc(O)n2c(n1)c(C)ccc2

STK559044
Synonyms: 6-chloro-3-(dipropylamino)-4-phenylquinolin-2-ol
Smiles: CCCN(c1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl)CCC

STK559045
Synonyms: 5-(furan-2-yl)-4-{[(E)-(3-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccco1

STK559046
Synonyms: (E)-(4-methoxy-2-methylphenyl)[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)Cc1ccc[nH+]c1)/[O-]

STL036498
Synonyms: (4-chlorophenyl)[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone
Smiles: Clc1ccc(cc1)C(=O)c1cn[nH]c1c1cc(C)ccc1O

STK559047
Synonyms: 6-hydroxy-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(CCCc1ccccc1)c(n2)NCCCn1cncc1)C

STK559049
Synonyms: N-[2-(diethylamino)ethyl]-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: CCN(CCNC(=O)c1c(O)nc2c(c1O)CCCC2)CC

STK559062
Synonyms: 7-tert-butyl-3-(2-methylphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Smiles: Cc1ccccc1n1c(=S)[nH]c2c(c1=O)c1CCC(Cc1s2)C(C)(C)C

STK845787
Synonyms: 3-hydroxy-1-oxo-N-(1-phenylethyl)-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxamide
Smiles: CC(c1ccccc1)NC(=O)c1c(=O)c2cccc3c2n(c1O)CCC3

STK559065
Synonyms: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-({[(1E)-1-(4-bromophenyl)ethylidene]amino}oxy)acetamide
Smiles: Brc1ccc(cc1)/C(=N/OCC(=O)/N=c\1/sc2c([nH]1)cccc2)/C

STK845788
Synonyms: 5-cyclohexyl-4-{[(E)-pyridin-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1/N=C/c1ccccn1)C1CCCCC1

STK845789
Synonyms: 2-(5-bromo-2,3-dihydroxy-3H-indol-3-yl)-1-(furan-2-yl)ethanone
Smiles: Brc1ccc2c(c1)C(O)(CC(=O)c1ccco1)C(=N2)O

STK845792
Synonyms: 1-[(2E)-5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2-fluorophenyl)urea
Smiles: O=C(/N=c/1\[nH]nc(s1)c1ccc2c(c1)OCO2)Nc1ccccc1F

STK559088
Synonyms: 4-fluoro-N-methyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Fc1ccc(cc1)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C

STL036499
Synonyms: 1-(2-methoxyphenyl)-3-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)urea
Smiles: COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)OC2

STK559099
Synonyms: 4-[(E)-{[3-(pyridin-4-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)/C=N/n1c(n[nH]c1=S)c1ccncc1

STK559101
Synonyms: 3-ethyl-5,5-dimethyl-2-sulfanyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: CCn1c(S)nc2c(c1=O)C(C)(C)Cc1c2cccc1

STK559119
Synonyms: 4-{(E)-[(3-cyclohexyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}-2-methoxyphenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1C1CCCCC1

STK845801
Synonyms: 5,7-bis(4-methoxyphenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1ccc(cc1)OC

STK559126
Synonyms: N-[(2Z)-benzo[cd]indol-2(1H)-ylidene]-4-chloroaniline
Smiles: Clc1ccc(cc1)/N=c/1\[nH]c2c3c1cccc3ccc2

STK845802
Synonyms: N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-phenylpyridine-3-carboxamide
Smiles: O=C(N(c1ccccc1)Cc1cc2ccccc2[nH]c1=O)c1cccnc1

STK559132
Synonyms: 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanehydrazide
Smiles: O=C(CCc1c(C)[nH]nc1O)N/N=C/1\C(=O)Nc2c1cccc2

STK559134
Synonyms: 2,6-dihydroxy-5-[4-(propan-2-yloxy)benzyl]-5-[2-(pyridin-4-yl)ethyl]pyrimidin-4(5H)-one
Smiles: OC1=NC(=O)C(C(=N1)O)(CCc1ccncc1)Cc1ccc(cc1)OC(C)C

STK559138
Synonyms: 4-bromo-2-[(E)-{[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]imino}methyl]phenolate
Smiles: COc1ccccc1[NH+]1CCN(CC1)/N=C/c1cc(Br)ccc1[O-]

STK845804
Synonyms: 2-{[(2Z)-6-ethyl-4-methylquinazolin-2(3H)-ylidene]amino}-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(1H)-one
Smiles: CCc1ccc2c(c1)c(C)[nH]/c(=N/c1nc(=O)cc([nH]1)CSc1ccc(cc1)C)/n2

STK559139
Synonyms: (5E)-3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)CCN1C(=O)N=C(/C(=C\NCCCN2CCOCC2)/C1=O)O

STK559148
Synonyms: 2-{5-[(Z)-(1-butyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-2-methoxybenzyl}-1H-isoindole-1,3(2H)-dione
Smiles: CCCCN1C(=NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=O)S

STK559149
Synonyms: 4,6-dihydroxy-1-methyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-2(1H)-one
Smiles: Oc1nc(=O)n(c(c1C1NCCc2c1cccc2)O)C

STK559152
Synonyms: 2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)N)N=C2C(=C(O)CCC2)C1c1ccc2c(c1)OCO2

STK559154
Synonyms: 2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)CC)N=C(CC1c1ccc2c(c1)OCO2)O

STK559160
Synonyms: N-[4-hydroxy-1-(2-methylpropyl)-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide
Smiles: CCC(=O)NC1(C(=O)Nc2c1c(O)nc(=O)n2CC(C)C)C(F)(F)F

STK559168
Synonyms: 2-[(4Z)-7,7-dimethyl-4-(phenylimino)-2-sulfanyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-1-yl]-1-phenylethanone
Smiles: O=C(c1ccccc1)CN1C(=N/C(=N\c2ccccc2)/C21CCOC(C2)(C)C)S

STK559171
Synonyms: N-(4-{[(4Z)-2,6-dimethylpyrimidin-4(3H)-ylidene]sulfamoyl}phenyl)-2-(2-methoxyethoxy)acetamide
Smiles: COCCOCC(=O)Nc1ccc(cc1)S(=O)(=O)/N=c\1/cc(C)nc([nH]1)C

STK559172
Synonyms: (5E)-1-(2-methoxyphenyl)-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccccc1N1C(=NC(=O)/C(=C\NCCCN2CCOCC2)/C1=O)S

STK559175
Synonyms: N'-(benzo[cd]indol-2-yl)-2,4-dichlorobenzohydrazide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NNC1=Nc2c3c1cccc3ccc2

STK559179
Synonyms: (5E)-6-hydroxy-5-[4-(oxiran-2-ylmethoxy)benzylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1NC(=O)/C(=C/c2ccc(cc2)OCC2CO2)/C(=N1)O

STK559181
Synonyms: 5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1C=C(N=c2n1nc[nH]2)c1cccc(c1)OC

STK559186
Synonyms: (5Z)-6-hydroxy-5-[(5-methylthiophen-2-yl)methylidene]-3-phenylpyrimidine-2,4(3H,5H)-dione
Smiles: Cc1ccc(s1)/C=C\1/C(=NC(=O)N(C1=O)c1ccccc1)O

STK559190
Synonyms: (4E)-4-[(2,3-dimethylphenyl)imino]-6-[(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccc(cc1)OCc1nc(N)n/c(=N/c2cccc(c2C)C)/[nH]1

STK845817
Synonyms: 3-{[(4-methoxyphenyl)amino]methyl}-7-methylquinolin-2(1H)-one
Smiles: COc1ccc(cc1)NCc1cc2ccc(cc2[nH]c1=O)C

STK559203
Synonyms: 6-(ethylsulfonyl)-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-2H-1,4-benzoxazin-2-one
Smiles: CCS(=O)(=O)c1ccc2c(c1)nc(c(=O)o2)/C=C(/c1ccc(cc1)F)\O

STK559209
Synonyms: N'-{(E)-[1-(4-fluorobenzyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}pyridine-4-carbohydrazide
Smiles: Fc1ccc(cc1)CN1C(=NC(=O)/C(=C\NNC(=O)c2ccncc2)/C1=O)S

STK845818
Synonyms: N-[(2Z)-6-bromo-4-(2-chlorophenyl)quinazolin-2(3H)-ylidene]aniline
Smiles: Brc1ccc2c(c1)c([nH]/c(=N/c1ccccc1)/n2)c1ccccc1Cl

STK559216
Synonyms: (5Z)-6-hydroxy-3-(3-methoxyphenyl)-5-(1H-pyrrol-2-ylmethylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cccc(c1)N1C(=O)N=C(/C(=C/c2ccc[nH]2)/C1=O)O

STK559225
Synonyms: N-(4-{[(1Z)-4-{4-methyl-3-[(tetrahydrofuran-2-ylmethyl)sulfamoyl]phenyl}phthalazin-1(2H)-ylidene]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)/N=c/1\[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCC1CCCO1)C

STK559230
Synonyms: 3-{[(E)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]amino}benzoicacid
Smiles: SC1=NC(=O)/C(=C\Nc2cccc(c2)C(=O)O)/C(=O)N1CCC1=CCCCC1

STK559247
Synonyms:
Smiles: CN1CCN(CC1)S(=O)(=O)c1ccc(c2c1nsn2)C

STK559249
Synonyms: 7-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1cccc(c1)C1=CC(n2c(=N1)[nH]cn2)c1c(F)cccc1Cl

STK559252
Synonyms: (5Z)-2-[(4-bromophenyl)amino]-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4(5H)-one
Smiles: Brc1ccc(cc1)NC1=NC(=O)/C(=C/c2cccnc2)/S1

STK559254
Synonyms: 2-bromo-4-[(E)-{2-[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]-6-methoxyphenolate
Smiles: COc1cc(/C=N/Nc2[nH+]c3c(n2Cc2ccc(cc2)Cl)c(=O)n(c(=O)n3C)C)cc(c1[O-])Br

STK559261
Synonyms: 6-hydroxy-3-methyl-8-{[3-(morpholin-4-yl)propyl]amino}-3,9-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1nc([nH]2)NCCCN1CCOCC1)C

STK559266
Synonyms: 4-[(1E)-N-(4-chlorophenyl)ethanimidoyl]-3-methyl-1-(4-nitrophenyl)-1H-pyrazol-5-ol
Smiles: Clc1ccc(cc1)/N=C(/c1c(C)nn(c1O)c1ccc(cc1)[N+](=O)[O-])\C

STK845826
Synonyms: 4-(3,4-dimethoxyphenyl)-7-hydroxy-1-(pentan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(c(c1)OC)OC)C

STK845827
Synonyms: 1-(4-methoxyphenyl)-3-[(2Z)-5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: CCCc1ccc(cc1)OCc1n[nH]/c(=N/C(=O)Nc2ccc(cc2)OC)/s1

STK559282
Synonyms: 4-chloro-N-(2-methoxyphenyl)-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COc1ccccc1N(C(=O)c1ccc(cc1)Cl)Cc1cc2cc(C)ccc2[nH]c1=O

STK559288
Synonyms: N-[2-(2-{(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]acetamide
Smiles: CC(=O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)c2ccccc2F)S)[nH]c2c1cccc2

STK559291
Synonyms: (E)-{2-(3-bromophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: Brc1cccc(c1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1sc(nc1C)C)/[O-]

STK559292
Synonyms: 6-chloro-3-(diethylamino)-4-phenyl-3,4-dihydroquinolin-2-ol
Smiles: CCN(C1C(=Nc2c(C1c1ccccc1)cc(cc2)Cl)O)CC

STK559300
Synonyms: 4-methyl-N-[(E)-2-phenyl-1-(5-sulfanyl-1H-1,2,4-triazol-3-yl)ethenyl]benzamide
Smiles: Cc1ccc(cc1)C(=O)N/C(=C/c1ccccc1)/c1n[nH]c(n1)S

STK559311
Synonyms: 2-hydroxy-4-oxo-1-pentyl-N-(pyrazin-2-yl)-1,4-dihydroquinoline-3-carboxamide
Smiles: CCCCCn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2c1cccc2

STK559316
Synonyms: 2,5-dimethyl-N-[(1E)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-ylidene]aniline
Smiles: CN1CCN(CC1)S(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N/c2cc(C)ccc2C)/c2c1cccc2

STK845835
Synonyms: ethyl4-amino-2-{[(2E)-4,6-dimethylquinazolin-2(1H)-ylidene]amino}-6-phenylpyrimidine-5-carboxylate
Smiles: CCOC(=O)c1c(N)nc(nc1c1ccccc1)/N=c\1/nc(C)c2c([nH]1)ccc(c2)C

STK559324
Synonyms: 7-hydroxy-6-[(4-hydroxy-3-methoxyphenyl)(5-hydroxy-7-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Smiles: COc1cc(ccc1O)C(c1c(O)nc2n(c1=O)CCS2)c1c(=O)nc2n(c1O)CCS2

STK559328
Synonyms: (3Z)-3-[(2E)-4-hydroxy-2-[(3-hydroxyphenyl)imino]-1,3-thiazol-5(2H)-ylidene]-1-methyl-1,3-dihydro-2H-indol-2-one
Smiles: Oc1cccc(c1)/N=C/1\N=C(/C(=C\2/C(=O)N(c3c2cccc3)C)/S1)O

STK559333
Synonyms: 1-[3-(6-bromo-2-hydroxy-4-phenylquinolin-3-yl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Smiles: Brc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)C1=NN(C(C1)c1ccco1)C(=O)C

STK559335
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate
Smiles: C[NH+](CCN1C(c2cccs2)/C(=C(/c2c(C)nc3n2cccc3)\[O-])/C(=O)C1=O)C

STK845838
Synonyms: 2-[(2E)-1,3-benzoxazol-2(3H)-ylideneamino]-N-(4-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1c(C)nc(nc1C)/N=c\1/oc2c([nH]1)cccc2

STK559338
Synonyms: 2-hydroxy-1-methyl-4-oxo-N'-tetradecanoyl-1,4-dihydroquinoline-3-carbohydrazide
Smiles: CCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)n(C)c2c(c1=O)cccc2

STK559339
Synonyms: 2-methoxy-6-{(4Z)-4-[(2-methylphenyl)imino]-3,4-dihydroquinazolin-2-yl}phenol
Smiles: COc1cccc(c1O)c1nc2ccccc2/c(=N/c2ccccc2C)/[nH]1

STK559348
Synonyms: 5-cyclohexyl-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(/C=N/n2c(n[nH]c2=S)C2CCCCC2)cc(c1OC)OC

STK845840
Synonyms: (5Z)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C/c2ccc(c(c2)[N+](=O)[O-])N(C)C)/C(=O)N1c1ccc(c(c1)C)C

STK559353
Synonyms: 8-ethyl-2-(4-{[(2-iodophenyl)carbonyl]carbamothioyl}piperazin-1-ium-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Smiles: CCn1cc(C(=O)[O-])c(=O)c2c1nc(nc2)[NH+]1CCN(CC1)C(=S)NC(=O)c1ccccc1I

STK559372
Synonyms: N-cyclohexyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]furan-2-carboxamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)c1ccco1)C1CCCCC1

STK845844
Synonyms: N-[(2Z)-6-bromo-1,3-benzothiazol-2(3H)-ylidene]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Smiles: Brc1ccc2c(c1)s/c(=N\C(=O)C13CCC(C3(C)C)(C(=O)C1)C)/[nH]2

STK559382
Synonyms: (5E)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-hydroxy-1-phenylpyrimidine-4,6(1H,5H)-dione
Smiles: OC1=NC(=O)/C(=C\c2cc([nH]c2C)C)/C(=O)N1c1ccccc1

STK559386
Synonyms: 7-(4-methylphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Cc1ccc(cc1)C1C=C(N=c2n1nc[nH]2)c1ccccc1

STK559389
Synonyms: (E)-[1-(3-methoxypropyl)-4,5-dioxo-2-(pyridinium-4-yl)pyrrolidin-3-ylidene][3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: COCCCN1C(c2cc[nH+]cc2)/C(=C(/c2ccc(c(c2)C)OCC(C)C)\[O-])/C(=O)C1=O

STK559397
Synonyms: (E)-[1-(6-methylpyridinium-2-yl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Smiles: Cc1cccc([nH+]1)N1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1ccccc1

STK559399
Synonyms: N-[7-(4-chlorophenyl)-5-methyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
Smiles: CC(=O)Nc1[nH]c2=NC(=CC(n2n1)c1ccc(cc1)Cl)C

STK559401
Synonyms: 7-(3,4-dimethoxyphenyl)-5-phenyl-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)C1C=C(N=c2n1nn[nH]2)c1ccccc1

STK559404
Synonyms: N'-[(E)-(1-cyclohexyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C=C/1\C(=O)N=C(N(C1=O)C1CCCCC1)S

STK559411
Synonyms: N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]piperazine-1-carboximidamide
Smiles: COc1ccc(cc1)N1CCN(CC1)/C(=N\c1nc(C)cc(n1)C)/NS(=O)(=O)c1ccc(cc1)C

STK559416
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-N'-[(E)-(4-methoxy-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}phenyl)methylidene]-1H-1,2,3-triazole-4-carbohy
Smiles: COc1ccc(cc1CSc1nnc(s1)C)/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N

STK559433
Synonyms: 2-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium-2-yl)phenolate
Smiles: C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1ccccc1[O-])O

STK845851
Synonyms: 8-(2-methylbutan-2-yl)-2-phenyl-1,2,4-triazaspiro[4.5]dec-3-ene-3-thiol
Smiles: CCC(C1CCC2(CC1)NN(C(=N2)S)c1ccccc1)(C)C

STK559439
Synonyms: (5Z)-1-(2-fluorophenyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\c1cn(c2c1cccc2)C)c1ccccc1F

STK559452
Synonyms: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene](3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)Cc1ccc[nH+]c1)/[O-]

STK559455
Synonyms: 4-(1,3-benzodioxol-5-yl)-7-hydroxy-1-(pentan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc2c(c1)OCO2)C

STK845852
Synonyms: 5-(4-methoxyphenyl)-7-phenyl-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(c2ccccc2)n2c(=N1)[nH]nn2

STK559462
Synonyms: (E)-(2-methylimidazo[1,2-a]pyridin-3-yl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2c(C)nc3n2cccc3)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccncc1

STK559467
Synonyms: 2,6-dimethoxy-4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-9-ium-2(3H)-ylidene)methyl]phenolate
Smiles: COc1cc(cc(c1[O-])OC)/C=c/1\sc2n(c1=O)c1c([nH+]2)cccc1

STK559468
Synonyms: N'-{(E)-[1-(3-methoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}benzohydrazide
Smiles: COc1cccc(c1)N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2)/C1=O)S

STK559472
Synonyms: 2-methyl-3-propyl-4-thioxo-1,4-dihydroquinoline-6-carboxylicacid
Smiles: CCCc1c(C)[nH]c2c(c1=S)cc(cc2)C(=O)O

STK559476
Synonyms: 7-butyl-6-hydroxy-3,4-dihydro-2H,8H-pyrimido[2,1-b][1,3]thiazin-8-one
Smiles: CCCCc1c(=O)nc2n(c1O)CCCS2

STK559483
Synonyms: 11-[4-(diethylamino)-2-hydroxyphenyl]-3,3,7,8-tetramethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: CCN(c1ccc(c(c1)O)C1Nc2cc(C)c(cc2N=C2C1=C(O)CC(C2)(C)C)C)CC

STK559489
Synonyms: methyl(5-oxo-3-sulfanyl-2,5-dihydro-1,2,4-triazin-6-yl)acetate
Smiles: COC(=O)Cc1n[nH]c(nc1=O)S

STK559497
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(4-fluorophenyl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: Fc1ccc(cc1)C1SCC(=Nc2c1c(C)nn2C1CCOC(C1)(C)C)O

STK559499
Synonyms: (E)-[4,5-dioxo-2-(3-propoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK559502
Synonyms: (5E)-5-[(azepan-1-ylamino)methylidene]-1-(3-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=NC(=O)/C(=C\NN2CCCCCC2)/C1=O)S

STK559507
Synonyms: 2-hydroxy-1-(2-methylpropyl)-4-oxo-N-(pyrazin-2-yl)-1,4-dihydroquinoline-3-carboxamide
Smiles: CC(Cn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2c1cccc2)C

STK559511
Synonyms: 7-methoxy-3-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]quinolin-2(1H)-one
Smiles: COc1ccc2c(c1)[nH]c(=O)c(c2)/C=C/1\N=C(OC1=O)c1ccccc1

STK845863
Synonyms: 5-benzyl-6-methyl-2-{[(2Z)-4,6,7-trimethylquinazolin-2(3H)-ylidene]amino}pyrimidin-4(1H)-one
Smiles: O=c1nc([nH]c(c1Cc1ccccc1)C)/N=c/1\nc2cc(C)c(cc2c([nH]1)C)C

STK559528
Synonyms: (2Z)-2-[(2E)-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}hydrazinylidene]-2,3-dihydro-1,3-benzothiazole
Smiles: Clc1ccc(cc1)n1c(C)cc(c1C)/C=N/N=c/1\sc2c([nH]1)cccc2

STK845866
Synonyms: [(1,1-dioxidotetrahydrothiophen-3-yl)ammonio]acetate
Smiles: [O-]C(=O)C[NH2+]C1CCS(=O)(=O)C1

STK559539
Synonyms: 7-(2,3-dihydroxypropyl)-8-[(furan-2-ylmethyl)amino]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCC(Cn1c(NCc2ccco2)nc2c1c(O)nc(=O)n2C)O

STK845867
Synonyms: N-[(2E)-4,6-dimethylquinazolin-2(1H)-ylidene]-4-methylpyrimidin-2-amine
Smiles: Cc1ccnc(n1)/N=c\1/nc(C)c2c([nH]1)ccc(c2)C

STK559543
Synonyms: ethylnaphthalen-1-ylcarbamate
Smiles: CCOC(=O)Nc1cccc2c1cccc2

STK559546
Synonyms: 2-hydroxy-4-oxo-1-(prop-2-en-1-yl)-N'-[(E)-pyridin-4-ylmethylidene]-1,4-dihydroquinoline-3-carbohydrazide
Smiles: C=CCn1c(O)c(C(=O)N/N=C/c2ccncc2)c(=O)c2c1cccc2

STK559550
Synonyms: 3-{[(2Z)-6-bromo-4-phenylquinazolin-2(3H)-ylidene]amino}benzoicacid
Smiles: Brc1ccc2c(c1)c([nH]/c(=N/c1cccc(c1)C(=O)O)/n2)c1ccccc1

STK559557
Synonyms: 3-butyl-2-methyl-4-thioxo-1,4-dihydroquinoline-6-carboxylicacid
Smiles: Cc1c(CCCC)c(=S)c2c([nH]1)ccc(c2)C(=O)O

STK559582
Synonyms: 4-methyl-N-[(E)-1-(5-sulfanyl-4H-1,2,4-triazol-3-yl)-2-(thiophen-2-yl)ethenyl]benzamide
Smiles: Cc1ccc(cc1)C(=O)N/C(=C/c1cccs1)/c1nnc([nH]1)S

STK559584
Synonyms: 5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-8(9H)-thione
Smiles: CC(Cc1nc2sc3c(c2c2c1CCCC2)nc[nH]c3=S)C

STK845873
Synonyms: 6-methyl-3-{[(4-methylphenyl)amino]methyl}quinolin-2(1H)-one
Smiles: Cc1ccc(cc1)NCc1cc2cc(C)ccc2[nH]c1=O

STK559609
Synonyms: (2E)-4,6-dimethyl-2-[(2E)-(1-phenylbutylidene)hydrazinylidene]-1,2-dihydropyrimidine
Smiles: CCC/C(=N\N=c/1\nc(C)cc([nH]1)C)/c1ccccc1

STK845875
Synonyms: N-[(4E)-1-benzyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]-2-methoxyaniline
Smiles: COc1ccccc1/N=c\1/nc[nH]c2c1cnn2Cc1ccccc1

STK845876
Synonyms: 5-butyl-2-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
Smiles: CCCCC1(N=C(N(N1)c1ccc(cc1)Cl)S)c1ccccc1

STK559616
Synonyms: 3-(2-methylpropoxy)-2-sulfanylquinazolin-4(3H)-one
Smiles: CC(COn1c(S)nc2c(c1=O)cccc2)C

STK559628
Synonyms: 6-ethyl-6-methyl-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-4-thione
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc([nH]c1=S)SC

STK559631
Synonyms: 2-hydroxy-1-methyl-4-oxo-N'-[(E)-pyridin-2-ylmethylidene]-1,4-dihydroquinoline-3-carbohydrazide
Smiles: O=C(c1c(=O)c2ccccc2n(c1O)C)N/N=C/c1ccccn1

STK559636
Synonyms: (5Z)-3-(4-ethylphenyl)-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CCc1ccc(cc1)N1C(=O)N=C(/C(=C/NCCCn2cncc2)/C1=O)O

STK559647
Synonyms: (E)-[2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: COc1cc(ccc1O)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK559648
Synonyms: 7-[(2-hydroxyethyl)sulfanyl]-8-methyl[1,3]dioxolo[4,5-g]quinolin-6-ol
Smiles: OCCSc1c(O)nc2c(c1C)cc1c(c2)OCO1

STK559651
Synonyms: 6-ethyl-6-methyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n1c(n2)[nH]nc1SC

STK559657
Synonyms: 2-[(5Z)-4-oxo-5-(pyridinium-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoate
Smiles: [O-]C(=O)C(N1C(=S)S/C(=C\c2ccc[nH+]c2)/C1=O)Cc1ccccc1

STK559666
Synonyms: ethyl(2Z)-2-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1s/c(=N\C(=O)CSc2nc(N)c3c(n2)sc2c3CCCC2)/[nH]c1C

STK559679
Synonyms: 6-hydroxy-7-(2-methoxyethyl)-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: COCCn1c(nc2c1c(O)nc(=O)n2C)N1CCCC1

STK845889
Synonyms: 1-(2-{[(2E)-6-methoxy-4-methylquinazolin-2(1H)-ylidene]amino}-4-methylpyrimidin-5-yl)ethanone
Smiles: COc1ccc2c(c1)c(C)n/c(=N/c1ncc(c(n1)C)C(=O)C)/[nH]2

STK559709
Synonyms: {[4-(acetylamino)phenyl]sulfonyl}{3-[3-(3-methylbutyl)-1H-imidazol-3-ium-1-yl]quinoxalin-2-yl}azanide
Smiles: CC(CC[n+]1ccn(c1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(cc1)NC(=O)C)C

STK559717
Synonyms: 4-chloro-N'-[(1Z)-4,4,4-trifluoro-3-oxo-1-(pyridin-2-yl)butylidene]benzohydrazide
Smiles: Clc1ccc(cc1)C(=O)N/N=C(\c1ccccn1)/CC(=O)C(F)(F)F

STK559727
Synonyms: (3Z)-4-hydroxy-N'-[hydroxy(diphenyl)acetyl]-4-(4-methoxyphenyl)-2-oxobut-3-enehydrazide
Smiles: COc1ccc(cc1)/C(=C/C(=O)C(=O)NNC(=O)C(c1ccccc1)(c1ccccc1)O)/O

STK559730
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methanolate
Smiles: C[NH+](CCN1C(c2cccs2)/C(=C(/c2c(C)nc3n2cccc3C)\[O-])/C(=O)C1=O)C

STK559745
Synonyms: 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)c1nc(S)n(c(=O)c1[nH]2)Cc1ccccc1

STK559751
Synonyms: 3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)C

STK559764
Synonyms: 6-ethyl-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-2-(propan-2-yl)-4H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])c(CC)cc2c1oc(C(C)C)c(c2=O)c1nc2c(n1C)cccc2

STK559784
Synonyms: 2,2-dimethyl-2,3-dihydro-1H-phenothiazin-4-ol
Smiles: OC1=C2Sc3ccccc3N=C2CC(C1)(C)C

STK845917
Synonyms: 4-methyl-2-{[(7E)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-ylidene]amino}phenol
Smiles: Cc1ccc(c(c1)/N=c/1\cc(C)[nH]c2n1ncn2)O

STK845919
Synonyms: (5E)-6-hydroxy-5-[(1-methyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidin-4(5H)-one
Smiles: SC1=NC(=O)/C(=C/c2cn(c3c2cccc3)C)/C(=N1)O

STK559812
Synonyms: 2-ethoxy-4-{(E)-[(2Z)-[1,2,4]triazolo[3,4-a]phthalazin-6(5H)-ylidenehydrazinylidene]methyl}phenol
Smiles: CCOc1cc(/C=N/N=c/2\[nH]n3cnnc3c3c2cccc3)ccc1O

STK559814
Synonyms: 3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1F

STK559820
Synonyms: (E)-(4-methylphenyl)[2-(4-nitrophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene]methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1nccc[nH+]1)/[O-]

STK559822
Synonyms: 1-cycloheptyl-4-(2,4-dichlorophenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: Clc1ccc(c(c1)Cl)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCCC1)O

STK559826
Synonyms: (2E)-2-{(2E)-[(2,5-dimethyl-1H-indol-3-yl)methylidene]hydrazinylidene}-2,3-dihydro-1,3-benzothiazole
Smiles: Cc1ccc2c(c1)c(/C=N/N=c\1/sc3c([nH]1)cccc3)c([nH]2)C

STK845928
Synonyms: N-(3-chloro-4-fluorophenyl)-2-(3-hydroxy-2H-1,4-benzothiazin-2-yl)acetamide
Smiles: O=C(CC1Sc2ccccc2N=C1O)Nc1ccc(c(c1)Cl)F

STK559842
Synonyms: 2-chloro-5-methylphenylP-methyl-N-(4-methylphenyl)phosphonamidate
Smiles: Cc1ccc(cc1)NP(=O)(Oc1cc(C)ccc1Cl)C

STK559847
Synonyms: {2-[4-(4-methoxyphenyl)piperazin-4-ium-1-yl]-2-oxoethoxy}acetate
Smiles: COc1ccc(cc1)[NH+]1CCN(CC1)C(=O)COCC(=O)[O-]

STK559855
Synonyms: N,N',N''-(nitrilotriethane-2,1-diyl)tris(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide)
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)NCCN(CCNC(=O)C12CCC(C2(C)C)(C(=O)C1)C)CCNC(=O)C12CCC(C2(C)C)(C(=O)C1)C

STK845933
Synonyms: 4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCn1c2ccc(cc2c2c1cccc2)/C=N/n1c(=S)[nH]nc1c1ccncc1

STK559862
Synonyms: {[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]sulfanyl}acetate
Smiles: [O-]C(=O)CSc1[nH+]c2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

STK559864
Synonyms: (E)-[2-(4-methylphenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Smiles: Cc1ccc(cc1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1c1cccc([nH+]1)C

STK559871
Synonyms: 7-(4-methoxyphenyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5(3H)-one
Smiles: COc1ccc(cc1)C1CC(=O)N=c2n1nc[nH]2

STK845937
Synonyms: 1-[(2E)-5-(2-fluorobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(3-methoxyphenyl)urea
Smiles: COc1cccc(c1)NC(=O)/N=c/1\[nH]nc(s1)Cc1ccccc1F

STK845939
Synonyms: N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: CNC(=S)N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK559880
Synonyms: 2-hydroxy-3'-(4-iodophenyl)-4'H-spiro[indole-3,2'-[1,3]thiazolidin]-4'-one
Smiles: Ic1ccc(cc1)N1C(=O)CSC21C(=Nc1c2cccc1)O

STK559884
Synonyms: 2-(3-{(Z)-[1-(furan-2-ylmethyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)-N-(2-methoxyethyl)acetamide
Smiles: COCCNC(=O)Cn1cc(c2c1cccc2)/C=C\1/C(=NC(=O)N(C1=O)Cc1ccco1)O

STK559885
Synonyms: 3-[(4-ethylpiperazin-1-yl)methyl]-2,7,8-trimethylquinolin-4(1H)-one
Smiles: CCN1CCN(CC1)Cc1c(C)[nH]c2c(c1=O)ccc(c2C)C

STK559887
Synonyms: (5Z)-2-[(3,4-dimethylphenyl)amino]-5-(1H-indol-3-ylmethylidene)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1c[nH]c2c1cccc2)Nc1ccc(c(c1)C)C

STK559901
Synonyms: 5-{[4,6-dihydroxy-2-(methylsulfanyl)pyrimidin-5-yl](pyridin-2-yl)methyl}-6-hydroxy-2-(methylsulfanyl)pyrimidin-4(1H)-one
Smiles: CSc1nc(O)c(c(n1)O)C(c1c(O)[nH]c(nc1=O)SC)c1ccccn1

STK559906
Synonyms: 3-methyl-2-[(5Z)-4-oxo-5-(pyridinium-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoate
Smiles: CC(C(N1C(=S)S/C(=C\c2ccc[nH+]c2)/C1=O)C(=O)[O-])C

STK845944
Synonyms: 4-(4,5-dihydro-1,3-thiazol-3-ium-2-ylamino)butanoate
Smiles: [O-]C(=O)CCCNC1=[NH+]CCS1

STK845945
Synonyms: 4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2(3H)-imine
Smiles: COc1ccc(cc1Br)c1csc(=N)[nH]1

STK559907
Synonyms: N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide
Smiles: Cc1cccc(c1)N(C(=O)c1cccc(c1)[N+](=O)[O-])Cc1cc2cccc(c2[nH]c1=O)C

STK559916
Synonyms: (2E)-2-[(2E)-(4-bromobenzylidene)hydrazinylidene]-3-(4-methoxyphenyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: COc1ccc(cc1)n1/c(=N/N=C/c2ccc(cc2)Br)/[nH]c2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK559925
Synonyms: methyl5-methyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Smiles: COC(=O)c1nn2c([nH]1)nc(cc2=O)C

STK559932
Synonyms: 1-(3,4-dimethylphenyl)-3-[(2Z)-5-(diphenylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: O=C(/N=c\1/[nH]nc(s1)C(c1ccccc1)c1ccccc1)Nc1ccc(c(c1)C)C

STK559936
Synonyms: 2-(prop-2-en-1-yl)-6-{(E)-[2-(pyridinium-3-ylcarbonyl)hydrazinylidene]methyl}phenolate
Smiles: C=CCc1cccc(c1[O-])/C=N/NC(=O)c1ccc[nH+]c1

STK559940
Synonyms: 6,6-dimethyl-3-(4-methylphenyl)-2-thioxo-1,2,3,5,6,8-hexahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)c1CC(C)(C)SCc1s2

STK845951
Synonyms: 4-{[(2E)-6-chloro-4-phenylquinazolin-2(3H)-ylidene]amino}-N-(2-hydroxyethyl)benzamide
Smiles: OCCNC(=O)c1ccc(cc1)/N=c\1/nc2ccc(cc2c([nH]1)c1ccccc1)Cl

STK559961
Synonyms: 4-chloro-N-[5-(4-chlorophenyl)-7-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1nn2c(=NC(=CC2c2ccccc2)c2ccc(cc2)Cl)[nH]1

STK559964
Synonyms: (5Z)-3-cyclopropyl-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)N1C1CC1

STK559966
Synonyms: (5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(4-ethoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1ccc(cc1)N1C(=NC(=O)/C(=C\Nc2c(=O)n(n(c2C)C)c2ccccc2)/C1=O)S

STK845956
Synonyms: (4E)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1cc(ccc1O)C1/C(=C(/c2cccs2)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C

STK559971
Synonyms: 5-[(E)-{[(5-bromo-2-methoxybenzyl)oxy]imino}methyl]-6-methylpyrimidine-2,4-diol
Smiles: COc1ccc(cc1CO/N=C/c1c(C)nc(nc1O)O)Br

STK559974
Synonyms: (E)-{2-(4-bromophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-butoxy-3-methylphenyl)methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CC[NH+](C)C)/[O-]

STK559981
Synonyms: 2-{[7-(2-ethoxyethyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}acetamide
Smiles: CCOCCn1c(SCC(=O)N)nc2c1c(O)nc(=O)n2C

STK845959
Synonyms: 1-[(2Z)-5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-fluorophenyl)urea
Smiles: Fc1ccc(cc1)NC(=O)/N=c\1/[nH]nc(s1)COc1ccccc1F

STK559987
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate
Smiles: O=C1C(=O)N(C(/C/1=C(/c1c(C)nc2n1cccc2)\[O-])c1ccccc1)CCCn1cc[nH+]c1

STK559991
Synonyms: 2-{[(1-ethyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}-6-methoxyphenolate
Smiles: COc1cccc(c1[O-])CNc1[nH+]c2c(n1CC)cccc2

STK845963
Synonyms: N-ethyl-N-phenyl-N'-(pyridin-3-ylcarbonyl)carbamimidothioicacid
Smiles: CCN(/C(=N/C(=O)c1cccnc1)/S)c1ccccc1

STK559999
Synonyms: 8-(2,5-dimethyl-1H-pyrrol-1-yl)-2-sulfanylbenzo[g]pteridin-4-ol
Smiles: Sc1nc2nc3cc(ccc3nc2c(n1)O)n1c(C)ccc1C

STK560002
Synonyms: 3-[(Z)-(5-hydroxy-2-sulfanyl-4H-imidazol-4-ylidene)methyl]-6-methylquinolin-2(1H)-one
Smiles: Cc1cc2cc(/C=C/3\N=C(N=C3O)S)c(=O)[nH]c2cc1

STK845966
Synonyms: 5-(4-methoxyphenyl)-4-{[(E)-(3-methylthiophen-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1sccc1C

STK560009
Synonyms: (5E)-3-(furan-2-ylmethyl)-6-hydroxy-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\NCCCN2CCOCC2)/C(=O)N1Cc1ccco1

STK845969
Synonyms: 5-(4-chlorophenyl)-7-(3-methoxyphenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1cccc(c1)C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)Cl

STK560025
Synonyms: (1Z)-1-[(2E)-butan-2-ylidenehydrazinylidene]-4-chloro-1,2-dihydrophthalazine
Smiles: CC/C(=N/N=c/1\[nH]nc(c2c1cccc2)Cl)/C

STK560029
Synonyms: (E)-(4-chlorophenyl){2-(4-ethylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

STK560031
Synonyms: [4-(4-methylphenyl)-1-oxophthalazin-3-ium-2(1H)-yl]acetate
Smiles: [O-]C(=O)Cn1[nH+]c(c2ccc(cc2)C)c2c(c1=O)cccc2

STK560033
Synonyms: 2-{(E)-[2-(3,4-dihydroquinolinium-1(2H)-ylacetyl)hydrazinylidene]methyl}-5-hydroxyphenolate
Smiles: O=C(C[NH+]1CCCc2c1cccc2)N/N=C/c1ccc(cc1[O-])O

STK560035
Synonyms: 2-[(5-ethyl-6-hydroxy-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-phenylacetamide
Smiles: CCc1c(=O)nc(n(c1O)c1ccccc1)SCC(=O)Nc1ccccc1

STK560038
Synonyms: (2Z)-2-[(2E)-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}hydrazinylidene]-2,3-dihydro-1,3-benzothiazole
Smiles: Fc1ccc(cc1)n1c(C)cc(c1C)/C=N/N=c/1\sc2c([nH]1)cccc2

STK560040
Synonyms: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-ethoxybenzyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCOc1ccc(cc1)CC1C(=NC(=O)N(C1=O)CCc1ccc(c(c1)OC)OC)O

STK560042
Synonyms: 4-hydroxy-5-(morpholin-4-yl)pyrimidin-2(1H)-one
Smiles: Oc1nc(=O)[nH]cc1N1CCOCC1

STK845974
Synonyms: 1-benzyl-4-hydroxy-N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: Cc1n[nH]/c(=N\C(=O)c2c(O)c3ccccc3n(c2=O)Cc2ccccc2)/s1

STK560048
Synonyms: (5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(3-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=NC(=O)/C(=C\Nc2c(=O)n(n(c2C)C)c2ccccc2)/C1=O)S

STK560049
Synonyms: 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-8-(methylsulfanyl)-3,7-dihydro-2H-purin-2-one
Smiles: CSc1nc2c(n1CC(COc1ccc(cc1)Br)O)c(O)nc(=O)n2C

STK845977
Synonyms: 3-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2H-chromen-2-one
Smiles: O=c1oc2ccccc2cc1c1csc(=N)[nH]1

STK845978
Synonyms: (2E)-N-(2,4-difluorophenyl)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Smiles: O=C1N/C(=N\c2ccc(cc2)C)/SC(C1)C(=O)Nc1ccc(cc1F)F

STK560080
Synonyms: (5Z)-3-(furan-2-ylmethyl)-6-hydroxy-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C/c2cn(c3c2cccc3)CC(=O)N2CCOCC2)/C(=O)N1Cc1ccco1

STK560081
Synonyms: (5Z)-2-[(4-bromophenyl)amino]-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=NC1=O)Nc1ccc(cc1)Br

STK845984
Synonyms: N-[(3Z)-1-acetyl-4-thia-1,2-diazaspiro[4.4]non-3-ylidene]acetamide
Smiles: CC(=O)/N=C\1/NN(C2(S1)CCCC2)C(=O)C

STK845985
Synonyms: 6-[(4-oxo-4H-1,3-benzothiazin-2-yl)amino]-1,3,5-triazine-2,4(1H,3H)-dione
Smiles: O=c1nc(Nc2nc(=O)c3c(s2)cccc3)[nH]c(=O)[nH]1

STK560108
Synonyms: (5Z)-5-({[4-(diethylamino)phenyl]amino}methylidene)-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Smiles: CCN(c1ccc(cc1)N/C=C\1/C(=NC(=NC1=O)S)O)CC

STK560111
Synonyms: 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea
Smiles: CNC(=S)N(CCc1cc2OCOc2c(c1/C=C/1\C(=NC(=NC1=O)O)O)OC)C

STK845993
Synonyms: 2-{(E)-[(2Z)-[1,2,4]triazolo[3,4-a]phthalazin-6(5H)-ylidenehydrazinylidene]methyl}phenol
Smiles: Oc1ccccc1/C=N/N=c/1\[nH]n2cnnc2c2c1cccc2

STK560115
Synonyms: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: C[NH+](CCCN1C(c2cccnc2)/C(=C(/c2cccs2)\[O-])/C(=O)C1=O)C

STK560122
Synonyms: (4Z)-4-{[8-methyl-2-(piperidin-1-yl)quinolin-3-yl]methylidene}-2-sulfanyl-4H-imidazol-5-ol
Smiles: OC1=NC(=N/C/1=C\c1cc2cccc(c2nc1N1CCCCC1)C)S

STK845998
Synonyms: 6-benzyl-3-sulfanyl-1,2,4-triazin-5-ol
Smiles: Sc1nnc(c(n1)O)Cc1ccccc1

STK845999
Synonyms: N-{(E)-amino[(2Z)-1,3-benzothiazol-2(3H)-ylideneamino]methylidene}-3,5-dimethoxybenzamide
Smiles: COc1cc(OC)cc(c1)C(=O)/N=C(/N=c/1\sc2c([nH]1)cccc2)\N

STK846001
Synonyms: (2Z)-N-(4-fluorophenyl)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Smiles: O=C1N/C(=N/c2ccc(cc2)C)/SC(C1)C(=O)Nc1ccc(cc1)F

STK560133
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CCCn1c[nH+]cc1)/[O-]

STK560135
Synonyms: N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide
Smiles: Cc1cccc(c1)N(C(=O)c1cccnc1)Cc1cc2cccc(c2[nH]c1=O)C

STK846002
Synonyms: (3Z)-3-[(2Z)-4-hydroxy-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-5(2H)-ylidene]-1,3-dihydro-2H-indol-2-one
Smiles: OC1=N/C(=N/c2cccc(c2)C(F)(F)F)/S/C/1=C/1\C(=O)Nc2c1cccc2

STK846003
Synonyms: 1-[(2E)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2,4-dichlorophenyl)urea
Smiles: Clc1ccc(c(c1)Cl)NC(=O)/N=c/1\[nH]nc(s1)C1CCCCC1

STK846004
Synonyms: N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-propoxyphenyl)carbamimidoyl]-2-(4-methoxyphenoxy)acetamide
Smiles: CCCOc1ccccc1N/C(=N/c1nc(C)cc(n1)C)/NC(=O)COc1ccc(cc1)OC

STK560144
Synonyms: 2-hydroxy-1-methyl-4-oxo-N-(pyrazin-2-yl)-1,4-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(O)n(C)c2c(c1=O)cccc2)Nc1cnccn1

STK846005
Synonyms: 1-(2-fluorophenyl)-3-[(2Z)-5-(3-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: COc1cccc(c1)c1n[nH]/c(=N/C(=O)Nc2ccccc2F)/s1

STK560155
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1ccc(c(c1)OC)OC)CC

STK846006
Synonyms: 3-methyl-5-{[4-(3-methylbutoxy)benzyl]sulfanyl}-1H-1,2,4-triazole
Smiles: CC(CCOc1ccc(cc1)CSc1[nH]nc(n1)C)C

STK560156
Synonyms: 2-(diethylamino)ethyl4-{[(Z)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]amino}benzoate
Smiles: CCN(CCOC(=O)c1ccc(cc1)N/C=C\1/C(=NC(=NC1=O)O)O)CC

STK846007
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-propylpyridine-3-carboxamide
Smiles: CCCN(C(=O)c1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O

STK560158
Synonyms: 7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-ol
Smiles: Clc1ccc2c(c1)C(=NCC(=N2)O)c1ccccc1

STK560161
Synonyms: 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-{(E)-[(furan-2-ylmethyl)imino]methyl}-1H-pyrazol-5-ol
Smiles: Clc1ccc(cc1)SCc1nn(c(c1/C=N/Cc1ccco1)O)c1nc2c(s1)cccc2

STK560173
Synonyms: 1-(2-{[(2E)-6-ethoxy-4-methylquinazolin-2(1H)-ylidene]amino}-4-methylpyrimidin-5-yl)ethanone
Smiles: CCOc1ccc2c(c1)c(C)n/c(=N/c1ncc(c(n1)C)C(=O)C)/[nH]2

STK560175
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(3-methylphenyl)cyclohexanecarboxamide
Smiles: Cc1cccc(c1)N(C(=O)C1CCCCC1)Cc1cc2cc(C)ccc2[nH]c1=O

STK560185
Synonyms: 2-[(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N'-[(4-methoxyphenyl)acetyl]acetohydrazide
Smiles: CCc1c(C)nc([nH]c1=O)SCC(=O)NNC(=O)Cc1ccc(cc1)OC

STK560190
Synonyms: 7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1ccc(c(c1)OC)OC

STK846015
Synonyms: {(4Z)-6-amino-4-[(4-methoxyphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-yl}methylmorpholine-4-carbodithioate
Smiles: COc1ccc(cc1)/N=c/1\nc(CSC(=S)N2CCOCC2)nc([nH]1)N

STK560194
Synonyms: 3-phenyl-1H-pyrazol-2-ium-5-carboxylate
Smiles: [O-]C(=O)c1cc([nH+][nH]1)c1ccccc1

STK846017
Synonyms: 2-{[(5E)-5-(phenylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1n[nH]/c(=N\c2ccccc2)/s1

STK560205
Synonyms: 7-(4-{[(4-bromophenyl)carbonyl]carbamothioyl}piperazin-1-ium-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Smiles: CCn1cc(C(=O)[O-])c(=O)c2c1cc(c(c2)F)[NH+]1CCN(CC1)C(=S)NC(=O)c1ccc(cc1)Br

STK560219
Synonyms: (5Z)-5-{[6-methyl-2-(morpholin-4-yl)quinolin-3-yl]methylidene}-2-sulfanyl-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1cc2cc(C)ccc2nc1N1CCOCC1)S

STK846027
Synonyms: (4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1F

STK560231
Synonyms: 3-({(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]methylidene}amino)-2-propylquinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/C1C(=NN(C1=O)c1ccc(cc1)C)C

STK560232
Synonyms: 6-hydroxy-3-methyl-8-(3-methylpiperidin-1-yl)-7-(prop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: C=CCn1c(nc2c1c(O)nc(=O)n2C)N1CCCC(C1)C

STK560243
Synonyms: 5-ethyl-2-[(2-hydroxyethyl)amino]-5-methyl-5,6-dihydrobenzo[h]quinazolin-4-ol
Smiles: OCCNc1nc(O)c2c(n1)c1ccccc1CC2(C)CC

STK560245
Synonyms: 3-methyl-N-[(4Z)-1-methyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]aniline
Smiles: Cc1cccc(c1)/N=c/1\nc[nH]c2c1cnn2C

STK560248
Synonyms: 4-{(E)-[2-(1,3-benzothiazol-3-ium-2-yl)hydrazinylidene]methyl}-2-hydroxyphenolate
Smiles: [O-]c1ccc(cc1O)/C=N/Nc1sc2c([nH+]1)cccc2

STK560253
Synonyms: (4E)-1-butyl-5-(2,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1OC)OC

STK560259
Synonyms: 5-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]-5-oxopentanoate
Smiles: [O-]C(=O)CCCC(=O)N1CC[NH+](CC1)c1nc2ccc(cc2c(n1)c1ccccc1)C

STK560266
Synonyms: 5-(4-chlorophenyl)-5-ethyl-2-(4-methylphenyl)-2,5-dihydro-1H-1,2,4-triazole-3-thiol
Smiles: CCC1(NN(C(=N1)S)c1ccc(cc1)C)c1ccc(cc1)Cl

STK846032
Synonyms: N-(7-oxo-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
Smiles: O=C(c1ccco1)Nc1nn2c([nH]1)nc(cc2=O)c1ccccc1

STK560274
Synonyms: (E)-[2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: COc1cc(ccc1O)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1cccc[nH+]1

STK560276
Synonyms: 2-[(5Z)-4-oxo-5-(pyridinium-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Smiles: CC(N1C(=S)S/C(=C\c2cc[nH+]cc2)/C1=O)C(=O)[O-]

STK846033
Synonyms: (4-{[(1E)-4-methylphthalazin-1(2H)-ylidene]amino}phenyl)(piperidin-1-yl)methanone
Smiles: O=C(c1ccc(cc1)/N=c\1/[nH]nc(c2c1cccc2)C)N1CCCCC1

STK560281
Synonyms: 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#Cc1c(S)nc2c(c1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C

STK560285
Synonyms: (E)-[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: Cc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1cccc[nH+]1

STK560286
Synonyms: (E)-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)N(C(/C/1=C(/c1c(C)nc2n1cccc2C)\[O-])c1ccccc1)CC[NH+]1CCOCC1

STK560289
Synonyms: (5E)-1-(4-fluorophenyl)-2-hydroxy-5-(4-methoxybenzylidene)pyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)F)O

STK560296
Synonyms: (5Z)-5-[(morpholin-4-ylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\NN1CCOCC1)c1ccccc1

STK560306
Synonyms: 7-benzyl-6-hydroxy-3-methyl-8-(2-methylpiperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CC1CCCCN1c1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C

STK560310
Synonyms: 1,1-dicyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine
Smiles: N/C(=N\c1nc(C)cc(n1)C)/N(C1CCCCC1)C1CCCCC1

STK846038
Synonyms: 4-{[(E)-(3,4-dichlorophenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(cc1Cl)/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK560316
Synonyms: 3-{(3E)-2-(4-chlorophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoicacid
Smiles: Clc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1cccc(c1)C(=O)O

STK846039
Synonyms: 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-{[(2Z)-6-ethyl-4-methylquinazolin-2(3H)-ylidene]amino}pyrimidin-4(1H)-one
Smiles: CCc1ccc2c(c1)c(C)[nH]/c(=N/c1nc(=O)cc([nH]1)CSc1nc3c(s1)cccc3)/n2

STK560317
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCCn1c[nH+]cc1)/[O-]

STK560319
Synonyms: (1Z,3E)-3-[(2-bromo-4-nitrophenyl)imino]-1-(2,4-dimethoxyphenyl)prop-1-en-1-ol
Smiles: COc1ccc(c(c1)OC)/C(=C/C=N/c1ccc(cc1Br)[N+](=O)[O-])/O

STK560320
Synonyms: 4-[(E)-{[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]imino}methyl]-3-hydroxyphenolate
Smiles: [O-]c1ccc(c(c1)O)/C=N/N1CC[NH+](CC1)C1c2ccccc2c2c1cccc2

STK846043
Synonyms: 2-{[3-cyano-4-(2,4-dichlorophenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)N)N=C(CC1c1ccc(cc1Cl)Cl)O

STK560333
Synonyms: 4-[6-bromo-3-(2-methoxy-2-oxoethyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-2-yl]phenolate
Smiles: COC(=O)C[NH+]1C(Nc2c(C1c1ccccc1)cc(cc2)Br)c1ccc(cc1)[O-]

STK560342
Synonyms: (5E)-5-({[3-(dimethylamino)propyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CN(CCCN/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)S)C

STK560345
Synonyms: 2-{[(1-methyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: [O-]c1ccccc1CNc1[nH+]c2c(n1C)cccc2

STK560346
Synonyms: (5Z)-3-butyl-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1C(=O)N=C(/C(=C/Nc2c(C)n(n(c2=O)c2ccccc2)C)/C1=O)O

STK560352
Synonyms: 1-ethyl-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: CCc1nc(S)c(c2c1CCCC2)C#N

STK560354
Synonyms: 6-(4-hydroxyphenyl)-2-sulfanylpyrimidin-4-ol
Smiles: Oc1ccc(cc1)c1cc(O)nc(n1)S

STK560355
Synonyms: ethyl4-(4-hydroxy-2-oxopyrimido[4,5-b]quinolin-10(2H)-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c2ccccc2cc2c1nc(=O)nc2O

STK560371
Synonyms: {[5-cyano-3,3-dimethyl-8-(pyrrolidinium-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)[O-])nc(c2c1CC(C)(C)OC2)[NH+]1CCCC1

STK560378
Synonyms: N-({2-[(6-oxo-1,6-dihydropyridazin-3-yl)carbonyl]hydrazinyl}carbonothioyl)-1,3-benzodioxole-5-carboxamide
Smiles: S=C(NC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1ccc(=O)[nH]n1

STK560380
Synonyms: (5Z)-1-acetyl-5-[(2-hydroxy-7-methylquinolin-3-yl)methylidene]-2-sulfanyl-1,5-dihydro-4H-imidazol-4-one
Smiles: Cc1ccc2c(c1)nc(c(c2)/C=C\1/C(=O)N=C(N1C(=O)C)S)O

STK560381
Synonyms: 2-{[(1-ethyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: CCn1c(NCc2ccccc2[O-])[nH+]c2c1cccc2

STK560384
Synonyms: 2-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium-2-yl)-4-methylphenolate
Smiles: C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1cc(C)ccc1[O-])O

STK560391
Synonyms: 6-hydroxy-7-(2-methoxyethyl)-3-methyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-2H-purin-2-one
Smiles: COCCn1c(SCCN2CCOCC2)nc2c1c(O)nc(=O)n2C

STK560399
Synonyms: (5E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-[(4-methoxyphenyl)imino]-5H-anthra[1,9-cd][1,2]oxazol-6-ol
Smiles: COc1ccc(cc1)/N=C/1\C=C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c3c1c(O)c1ccccc1c3on2

STK560401
Synonyms: (E)-[1-(1,3-benzothiazol-3-ium-2-yl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene](4-methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)c1sc2c([nH+]1)cccc2)/[O-]

STK560419
Synonyms: 4-(4-fluorophenyl)-1-imino-6,7-dimethyl-6,7-dihydro-3,6-epoxypyrano[3,4-c]pyrrole-3a,7a(1H,4H)-dicarbonitrile
Smiles: N#CC12C3=NC(=N)C2(C#N)C(C(O3)(OC1c1ccc(cc1)F)C)C

STK560424
Synonyms: 2-methoxy-4-[(Z)-{2-[4-(2-methylphenyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenolate
Smiles: COc1cc(ccc1[O-])/C=C/1\SC(=NC1=O)N1CC[NH+](CC1)c1ccccc1C

STK560426
Synonyms: 4-[({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: O=C(Nc1ccc(cc1)C(=O)[O-])CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccncc1

STK560428
Synonyms: 5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione
Smiles: Sc1n[nH]c(=S)s1

STK560433
Synonyms: N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(propan-2-yl)thiophene-2-carboxamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)c1cccs1)C(C)C

STK560434
Synonyms: (5Z)-2-[(2,4-dimethylphenyl)amino]-5-(1H-indol-3-ylmethylidene)-1,3-thiazol-4(5H)-one
Smiles: Cc1ccc(c(c1)C)NC1=NC(=O)/C(=C/c2c[nH]c3c2cccc3)/S1

STK846055
Synonyms: ethyl(4-chloro-2-hydroxyquinolin-3-yl)acetate
Smiles: CCOC(=O)Cc1c(O)nc2c(c1Cl)cccc2

STK846056
Synonyms: N-[(2Z)-5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2(1H)-ylidene]-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)/N=c/2\ncc3c([nH]2)CC(CC3=O)c2ccccc2)nnc1c1ccccc1

STK560443
Synonyms: 4-[(1E)-1-{2-[(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazinylidene}ethyl]phenolate
Smiles: O=C(C[NH+]1CCN(CC1)Cc1ccccc1)N/N=C(/c1ccc(cc1)[O-])\C

STK560444
Synonyms: (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: SC1=NC(=O)/C(=C/c2cccn2C)/C(=O)N1CCC1=CCCCC1

STK560447
Synonyms: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-oxo-2H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(=O)c(c2)c1scc(n1)c1ccc(cc1)Br

STK560450
Synonyms: ethylN-({5-[(4Z)-4-(1,3-benzodioxol-5-ylimino)-3,4-dihydrophthalazin-1-yl]-2-methylphenyl}sulfonyl)glycinate
Smiles: CCOC(=O)CNS(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N\c2ccc3c(c2)OCO3)/c2c1cccc2

STK560451
Synonyms: (E)-{4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(furan-2-yl)methanolate
Smiles: CC(Oc1ccc(cc1)C1/C(=C(/c2ccco2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1)C

STK560465
Synonyms: 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]butanoicacid
Smiles: OC(=O)CCCN1C(c2ccc(cc2)F)/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=O

STK846062
Synonyms: 3-{(2E)-2-[(2-chlorophenyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}-3-methyl-8-[(2-methylpropoxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione
Smiles: CC(COCC1OC(=O)C2(C1)CC(OC2=O)(C)c1cs/c(=N/c2ccccc2Cl)/[nH]1)C

STK846064
Synonyms: 1-(1,3-benzothiazol-2-yl)-5-(4-methylphenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(cc1)c1nc(=S)[nH]n1c1nc2c(s1)cccc2

STK846065
Synonyms: 4-[4-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-yl]benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)c1[nH]nc(c1c1nc2c(s1)cccc2)C

STK560478
Synonyms: (E)-{1-(3-carboxypropyl)-2-[4-(dimethylammonio)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/[O-])/C1c1ccc(cc1)[NH+](C)C

STK560496
Synonyms: 4-{[(E)-(2,4-dihydroxyphenyl)methylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1ccc(c(c1)O)/C=N/n1c(=S)[nH]nc1c1ccncc1

STK560498
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxyphenyl}methylidene]-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCN(CC2)C)c2nonc2N)cc(c1OCc1ccc(cc1)Cl)Br

STK560509
Synonyms: 3-[(5Z)-5-{[2-(dipropylammonio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Smiles: CCC[NH+](c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCC(=O)[O-])CCC

STK560518
Synonyms: 1-cycloheptyl-4-(4-fluorophenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2n([nH]c(=O)c2C(SC1)c1ccc(cc1)F)C1CCCCCC1

STK560522
Synonyms: 5-phenyl-3H-1,4-benzodiazepine-2,3-diol
Smiles: OC1=Nc2ccccc2C(=NC1O)c1ccccc1

STK560533
Synonyms: 4-(2,4-dichlorophenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: Clc1ccc(c(c1)Cl)C1SCC(=Nc2c1c(C)nn2C1CCOC(C1)(C)C)O

STK846076
Synonyms: (2Z)-6-benzyl-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: CCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(c(=O)n3)Cc2ccccc2)/C1=O

STK560546
Synonyms: (5Z)-5-(ethoxymethylidene)-6-hydroxy-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4(5H)-one
Smiles: CCO/C=C\1/C(=NC(=NC1=O)Nc1nc(C)c2c(n1)cccc2)O

STK560549
Synonyms: 4-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-4-ium-1-yl}-4-oxobutanoate
Smiles: [O-]C(=O)CCC(=O)N1CC[NH+](CC1)c1nc2ccc(cc2c(n1)c1ccccc1Cl)Br

STK560565
Synonyms: 2-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-4-bromophenylbenzoate
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N)OC(=O)c1ccccc1

STK560570
Synonyms: 4-({[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)-2-hydroxyphenolate
Smiles: Clc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)[O-])[nH+]nc1c1ccncc1

STK560574
Synonyms: 2-{[(2E)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethylcyclohexyl(methyl)carbamodithioate
Smiles: CC1CCc2c(C1)s/c(=N/C(=O)CSC(=S)N(C1CCCCC1)C)/[nH]2

STK560577
Synonyms: 6-[(dimethylammonio)methyl]-4-ethyl-7-methyl-2-oxo-2H-chromen-5-olate
Smiles: CCc1cc(=O)oc2c1c([O-])c(c(c2)C)C[NH+](C)C

STK560585
Synonyms: 6-[(2-butanoyl-3-oxocyclohex-1-en-1-yl)ammonio]hexanoate
Smiles: CCCC(=O)C1=C(CCCC1=O)[NH2+]CCCCCC(=O)[O-]

STK846086
Synonyms: 7-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)C

STK560591
Synonyms: 3-chloro-N-[(2E)-6-(4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2(1H)-ylidene]aniline
Smiles: Clc1ccc(cc1)c1[nH]/c(=N\c2cccc(c2)Cl)/nc(c1)C(F)(F)F

STK560594
Synonyms: 3-{(3E)-3-[hydroxy(phenyl)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}benzoicacid
Smiles: OC(=O)c1cccc(c1)N1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1

STK560598
Synonyms: 4-{(3E)-2-(4-chlorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoicacid
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)Cl

STK560601
Synonyms: (E)-{2-(4-chlorophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CC[NH+](C)C)/[O-]

STK560603
Synonyms: (5Z)-5-[(2-hydroxyquinolin-3-yl)methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2cc3ccccc3nc2O)/C(=O)N1C

STK560622
Synonyms: 1-imino-4,6-dimethyl-7-phenyl-6,7-dihydro-3,6-epoxypyrano[3,4-c]pyrrole-3a,7a(1H,4H)-dicarbonitrile
Smiles: N#CC12C(=N)N=C3C2(C#N)C(OC(C1c1ccccc1)(C)O3)C

STK560627
Synonyms: (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(2-methoxyethyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)OC

STK560628
Synonyms: (E)-(3-chloro-4-ethoxyphenyl)[4,5-dioxo-2-phenyl-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)Cc1ccc[nH+]c1)/[O-]

STK560633
Synonyms: 2-chloro-N-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-5-yl)acetamide
Smiles: Oc1nc(=O)[nH]cc1NC(=O)CCl

STK560637
Synonyms: 3-{(3E)-2-(2-chlorophenyl)-3-[(4-chlorophenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1Cl

STK846095
Synonyms: 4-[3-(4-carbamoylpiperidinium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
Smiles: NC(=O)C1CC[NH+](CC1)C1CC(=O)N(C1=O)c1ccc(cc1)C(=O)[O-]

STK560639
Synonyms: 3-[(2E)-2-{(2E)-[1-(4-chlorophenyl)ethylidene]hydrazinylidene}-2,3-dihydro-1,3-thiazol-4-yl]-8-methoxy-2H-chromen-2-one
Smiles: COc1cccc2c1oc(=O)c(c2)c1cs/c(=N/N=C(/c2ccc(cc2)Cl)\C)/[nH]1

STK846096
Synonyms: 6-[4-(dimethylamino)phenyl]-4-methyl-N-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
Smiles: CN(c1ccc(cc1)C1NC(=NC(=C1C(=O)Nc1ccccc1)C)S)C

STK560641
Synonyms: (2Z)-4-hydroxy-2-[(2-methoxyphenyl)imino]-3-(morpholin-4-yl)naphthalen-1(2H)-one
Smiles: COc1ccccc1/N=C\1/C(=C(O)c2c(C1=O)cccc2)N1CCOCC1

STK560688
Synonyms: (4E)-5-(3-fluorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)F)/C(=C(/c2ccco2)\O)/C(=O)C1=O

STK560695
Synonyms: (E)-[2-(3-chlorophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: Clc1cccc(c1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1nccc[nH+]1

STK560706
Synonyms: 3-{(5E)-5-[4-(diethylammonio)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoate
Smiles: CC[NH+](c1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CCC(=O)[O-])CC

STK560709
Synonyms: (E)-[2-(3-chlorophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](5-methylfuran-2-yl)methanolate
Smiles: Clc1cccc(c1)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1c1nccc[nH+]1

STK846105
Synonyms: 4-[2-chloro-5-(trifluoromethyl)phenyl]-5-[(1R,2R)-2-phenylcyclopropyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1cc(ccc1Cl)C(F)(F)F)[C@@H]1C[C@H]1c1ccccc1

STK560712
Synonyms: N-(2,3-dichlorophenyl)-1-ethyl-2-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: CCn1c(O)c(C(=O)Nc2cccc(c2Cl)Cl)c(=O)c2c1cccc2

STK560713
Synonyms: (E)-{2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STK846109
Synonyms: N'-(benzo[cd]indol-2-yl)-2-(3,4-dimethoxyphenyl)acetohydrazide
Smiles: COc1cc(ccc1OC)CC(=O)NNC1=Nc2c3c1cccc3ccc2

STK846110
Synonyms: 7-benzyl-2-(piperidin-1-yl)-7H-purin-6-ol
Smiles: Oc1nc(nc2c1n(cn2)Cc1ccccc1)N1CCCCC1

STK560731
Synonyms: (E)-(5-methyl-1-phenyl-1H-pyrazol-4-yl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccccc1

STK560738
Synonyms: (E)-{2-(3-bromophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CC[NH+](C)C)/[O-])C

STK560742
Synonyms: {[7-(2-ethoxyethyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}aceticacid
Smiles: CCOCCn1c(SCC(=O)O)nc2c1c(O)nc(=O)n2C

STK846113
Synonyms: 2-{[(2Z)-6-ethoxy-4-methylquinazolin-2(3H)-ylidene]amino}-5-ethyl-6-methylpyrimidin-4(1H)-one
Smiles: CCOc1ccc2c(c1)c(C)[nH]/c(=N/c1[nH]c(C)c(c(=O)n1)CC)/n2

STK846114
Synonyms: N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-hydroxy-2H-1,4-benzothiazin-2-yl)acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CC1Sc2ccccc2N=C1O)OC

STK846116
Synonyms: N-butyl-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: CCCCNC(=O)c1c(O)nc2c(c1O)CCCC2

STK560752
Synonyms: 1-[(2E)-6-methyl-4-oxo-3,4-dihydropyrimidin-2(1H)-ylidene]-2-naphthalen-1-ylguanidine
Smiles: N/C(=N\c1cccc2c1cccc2)/N=c/1\[nH]c(C)cc(=O)[nH]1

STK560753
Synonyms: (2E,5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-[(4-hydroxyphenyl)imino]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: CCOc1cc(ccc1O)/C=C/1\S/C(=N/c2ccc(cc2)O)/N=C1O

STK560755
Synonyms: 2-(2,4-dimethylphenyl)-1-[(2Z)-6-methyl-4-oxo-3,4-dihydropyrimidin-2(1H)-ylidene]guanidine
Smiles: Cc1ccc(c(c1)C)/N=C(/N=c\1/[nH]c(C)cc(=O)[nH]1)\N

STK560756
Synonyms: 6-hydroxy-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-2H-purin-2-one
Smiles: OCCN(c1nc2c(n1Cc1cccc(c1)C)c(O)nc(=O)n2C)C

STK560777
Synonyms: 3-[(6-hydroxypyridazin-3-yl)oxy]hexane-2,4-dione
Smiles: CCC(=O)C(C(=O)C)Oc1ccc(nn1)O

STK560784
Synonyms: 7-bromo-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-ylacetate
Smiles: CC(=O)OC1N=C(c2ccccc2)c2c(N=C1O)ccc(c2)Br

STK846122
Synonyms: 4-{[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino}-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1/C=C/C=N/n1c(=S)[nH]nc1c1cccnc1

STK560789
Synonyms: 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-ol
Smiles: CN1CCN(CC1)S(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)O

STK846129
Synonyms: 3-[(2E)-2-(2-phenylhydrazinylidene)-2,3-dihydro-1,3-thiazol-4-yl]-2H-chromen-2-one
Smiles: O=c1oc2ccccc2cc1c1cs/c(=N/Nc2ccccc2)/[nH]1

STK560808
Synonyms: 1-[(2,4-dimethoxyphenyl)(morpholin-4-ium-4-yl)methyl]naphthalen-2-olate
Smiles: COc1cc(OC)ccc1C(c1c([O-])ccc2c1cccc2)[NH+]1CCOCC1

STK560825
Synonyms: N-[(2Z)-6-fluoro-1,3-benzothiazol-2(3H)-ylidene]pentanamide
Smiles: CCCCC(=O)/N=c/1\sc2c([nH]1)ccc(c2)F

STK846133
Synonyms: (2E)-2-[(4,6-dimethylpyrimidin-2-yl)imino]-1,2-dihydroquinazolin-4-amine
Smiles: Cc1cc(C)nc(n1)/N=c\1/nc(N)c2c([nH]1)cccc2

STK560831
Synonyms: 4-[3-(diethylammonio)-7H-chromeno[2',3':4,5]pyrimido[1,6-a]benzimidazol-7-yl]phenolate
Smiles: CC[NH+](c1ccc2c(c1)OC1=NC(n3c(C1=C2)nc1c3cccc1)c1ccc(cc1)[O-])CC

STK560841
Synonyms: 2-[(2-oxo-2-{[(2E)-4-phenyl-1,3-thiazol-2(3H)-ylidene]amino}ethyl)sulfanyl]pyridine-3-carboxylicacid
Smiles: O=C(/N=c\1/scc([nH]1)c1ccccc1)CSc1ncccc1C(=O)O

STK560842
Synonyms: N-cyclohexyl-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-3-carboxamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1cccnc1)C1CCCCC1

STK560850
Synonyms: N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(c1ccccc1C)C(=O)c1ccncc1

STK560860
Synonyms: (5Z)-1-butyl-5-[(1-methyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCCCN1C(=NC(=O)/C(=C/c2cn(c3c2cccc3)C)/C1=O)S

STK560861
Synonyms: 4-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoicacid
Smiles: Cc1onc(c1c1n[nH]c(=S)n1c1ccc(cc1)C(=O)O)c1ccccc1

STK560868
Synonyms: 4-{[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]amino}-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: C/C(=C\c1ccccc1)/C=N/n1c(=S)[nH]nc1c1cccnc1

STK560879
Synonyms: (6E)-4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-6-[(4-methoxyphenyl)imino]-1,6-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccc(cc1)/N=c\1/nc(CN2CCN(CC2)c2ccc(cc2)F)nc([nH]1)N

STK846141
Synonyms: 2-sulfanyl-3-[3-(trifluoromethyl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Smiles: O=C1CN=C(N1c1cccc(c1)C(F)(F)F)S