FULL DB

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

STK527351
Synonyms: 2-(3-benzyl-6-oxo-1,4,5,6-tetrahydro-1,2,4-triazin-5-yl)-N'-[(1E)-1-phenylethylidene]acetohydrazide(non-preferredname)
Smiles: O=C(CC1NC(=NNC1=O)Cc1ccccc1)N/N=C(/c1ccccc1)\C

STK833777
Synonyms: N-[(5-chloropyridin-2-yl)carbamothioyl]-2-{2-oxo-5-[(propan-2-yloxy)methyl]tetrahydrofuran-3-yl}acetamide(non-preferredname)
Smiles: O=C(CC1CC(OC1=O)COC(C)C)NC(=S)Nc1ccc(cn1)Cl

STK833778
Synonyms: 1-(9H-carbazol-9-yl)-3-[(2-methylphenyl)amino]propan-2-ol
Smiles: OC(Cn1c2ccccc2c2c1cccc2)CNc1ccccc1C

STK833781
Synonyms: 1-(3,6-dibromo-9H-carbazol-9-yl)-3-[(2-methoxyphenyl)amino]propan-2-ol
Smiles: COc1ccccc1NCC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)O

STK833783
Synonyms: (2Z)-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-[(2-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccccc1C)/c1scc(n1)c1ccc(c(c1)C)C

STK833784
Synonyms: 8-(ethylsulfanyl)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCSc1nc2c(n1CC(COc1ccccc1C)O)c(=O)[nH]c(=O)n2C

STK833788
Synonyms: 5-[4,4-dimethyl-1-(4-methylphenyl)-3-oxopentyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)C(C(=O)N1)C(c1ccc(cc1)C)CC(=O)C(C)(C)C

STK527368
Synonyms: 8-(ethylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCn1c(SCC)nc2c1c(=O)[nH]c(=O)n2C

STK527369
Synonyms: N-(3,4-dichlorophenyl)-2-(4-nitrophenyl)hydrazinecarboxamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)NNc1ccc(cc1)[N+](=O)[O-]

STK527375
Synonyms: methyl[2-(naphthalen-1-yl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]acetate
Smiles: COC(=O)CC1(C(=O)c2c(C1=O)cccc2)c1cccc2c1cccc2

STK527376
Synonyms: N-[4-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)phenyl]propanamide
Smiles: CCC(=O)Nc1ccc(cc1)C1C(=O)c2c(C1=O)cccc2

STK833793
Synonyms: (2Z)-3-[(2,3-dichlorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1Cl)Cl)/c1scc(n1)c1cc2ccccc2oc1=O

STK833794
Synonyms: (2Z,4E)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile
Smiles: N#C/C(=C/C=C/c1ccccc1)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK833797
Synonyms: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2,5-dimethoxyphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(OC)ccc1OC)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK527384
Synonyms: ethyl2-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}amino)-3,3,3-trifluoro-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(NC(=O)c1cccc(c1)C(F)(F)F)Nc1ccc(cc1)S(=O)(=O)Nc1cc(OC)nc(n1)OC

STK833801
Synonyms: 4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl][1,2,4]triazolo[4,3-a]quinoxaline
Smiles: COc1ccc(cc1)/C=N/Nc1nc2ccccc2n2c1nnc2

STK527389
Synonyms: 4-(furan-2-yl)-6-phenyl-2-sulfanylpyridine-3-carbonitrile
Smiles: N#Cc1c(S)nc(cc1c1ccco1)c1ccccc1

STK527390
Synonyms: 1-(5-methoxy-1H-indol-3-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone
Smiles: COc1ccc2c(c1)c(c[nH]2)C(=O)CN1CCN(CC1)c1cccc(c1)C(F)(F)F

STK527392
Synonyms: N-butyl-2-(phenylamino)pyridine-3-carboxamide
Smiles: CCCCNC(=O)c1cccnc1Nc1ccccc1

STK527393
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)serine
Smiles: OCC(C(=O)O)NC1CCS(=O)(=O)C1

STK527395
Synonyms: 6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)Br)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK833805
Synonyms: 2-{[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Smiles: COCCn1c(SCC(=O)N)nc2c1c(=O)[nH]c(=O)n2C

STK527398
Synonyms: (2Z)-3-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(OC)c(cc1OC)Cl)/c1scc(n1)c1ccc(cc1)CC

STK527404
Synonyms: (2E)-3-[(3,4-dichlorophenyl)amino]-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)Cl)/c1scc(n1)c1ccc(cc1)CC(C)C

STK527405
Synonyms: 4-(4-butoxyphenyl)-5-cyano-2-methyl-6-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-N-phenylpyridine-3-carboxamide
Smiles: CCCCOc1ccc(cc1)c1c(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)nc(c1C(=O)Nc1ccccc1)C

STK833810
Synonyms: 2-methyl-4-{(E)-[2-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)hydrazinylidene]methyl}benzene-1,3-diol
Smiles: Oc1ccc(c(c1C)O)/C=N/Nc1nc2ccccc2n2c1nnc2

STK527409
Synonyms: methyl5-bromo-3-{[(4-carbamoylpiperidin-1-yl)acetyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CC[C@H](CC1)C(=O)N)cc(cc2)Br

STK527412
Synonyms: 2,2'-(1,2,4-thiadiazole-3,5-diyldisulfanediyl)bis[N-(4-methylphenyl)acetamide]
Smiles: O=C(Nc1ccc(cc1)C)CSc1nsc(n1)SCC(=O)Nc1ccc(cc1)C

STK527413
Synonyms: N-tert-butyl-4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide
Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)NC(C)(C)C)C

STK833814
Synonyms: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(4-fluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)F)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK527417
Synonyms: 2-(2,4-dichlorophenyl)-N-(2,4-dimethoxyphenyl)quinazolin-4-amine
Smiles: COc1cc(OC)ccc1Nc1nc(nc2c1cccc2)c1ccc(cc1Cl)Cl

STK527418
Synonyms: 3-[(2,3-dihydro-1-benzofuran-2-ylmethyl)(methyl)amino]propanenitrile
Smiles: N#CCCN(CC1Cc2c(O1)cccc2)C

STK833816
Synonyms: 7-benzyl-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCSc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C

STK527425
Synonyms: 1-{2-oxo-2-[(trimethylstannanyl)oxy]ethyl}pyrrolidine-2,5-dione
Smiles: O=C(O[Sn](C)(C)C)CN1C(=O)CCC1=O

STK527428
Synonyms: N-(3-fluorophenyl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
Smiles: Fc1cccc(c1)NC(=O)c1c(C)cc(=O)oc1C

STK527429
Synonyms: propyl4-{[{[3-(dimethylamino)propyl]amino}(oxo)acetyl]amino}benzoate
Smiles: CCCOC(=O)c1ccc(cc1)NC(=O)C(=O)NCCCN(C)C

STK527431
Synonyms: 1,3-bis(3-chlorophenyl)-1-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)urea
Smiles: Clc1cccc(c1)NC(=O)N(C1=NCC(S1)(C)C)c1cccc(c1)Cl

STK527433
Synonyms: 3-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCOc1ccc(cc1OC)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)OC

STK527435
Synonyms: 2-(3-benzyl-6-oxo-1,4,5,6-tetrahydro-1,2,4-triazin-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]acetohydrazide(non-preferredname)
Smiles: O=C(CC1NC(=NNC1=O)Cc1ccccc1)N/N=C(/c1ccc(cc1)C)\C

STK527439
Synonyms: (2E)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(ccc1Cl)C(F)(F)F)/c1scc(n1)c1ccc(cc1Cl)Cl

STK527440
Synonyms: {1-[(1Z)-3-(4-bromophenyl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]pyridin-2(1H)-ylidene}propanedinitrile
Smiles: N#CC(=c1ccccn1/C(=C\c1ccco1)/C(=O)c1ccc(cc1)Br)C#N

STK527441
Synonyms: 1-(1,2-dimethyl-1H-indol-3-yl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethanone
Smiles: O=C(c1c(C)n(c2c1cccc2)C)CN1CCC2(CC1)OCCO2

STK833821
Synonyms: (2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-[(2-methoxyphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1OC)/c1scc(n1)c1ccc(cc1C)C

STK527443
Synonyms: methyl[4-({2-[(1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]hydrazinyl}sulfonyl)phenyl]carbamate
Smiles: COC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)c1c(O)c2ccccc2n(c1=O)CC

STK833824
Synonyms: 7-chloro-5-methoxy-4-nitro-2,1,3-benzoxadiazole
Smiles: COc1cc(Cl)c2c(c1[N+](=O)[O-])non2

STK527449
Synonyms: 1-hexyl-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCCCCCn1cc(C(=O)O)c(=O)c2c1cccc2

STK527453
Synonyms:
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)NNC(=O)C1[C@@H]2[C@H]1CCCC2

STK527456
Synonyms: dipropan-2-yl[1-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]phosphonate
Smiles: CC(OP(=O)(c1ncn(n1)c1ccc(cc1)Cl)OC(C)C)C

STK527458
Synonyms: 2,2,3,3,4,4,4-heptafluoro-N-(3,4,5-trimethoxybenzyl)butanamide
Smiles: COc1cc(CNC(=O)C(C(C(F)(F)F)(F)F)(F)F)cc(c1OC)OC

STK833828
Synonyms: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(4-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)[N+](=O)[O-])/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK833831
Synonyms: (2Z)-3-[(2,4-dimethoxyphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1OC)OC)/c1scc(n1)c1ccc(cc1)F

STK527466
Synonyms: 2-({(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}amino)ethanesulfonicacid
Smiles: C=CCc1cccc(c1O)/C=N/CCS(=O)(=O)O

STK527471
Synonyms: 3-[(2-fluoro-5-methylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1cc(C)ccc1F

STK833835
Synonyms: 2-(4-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
Smiles: COc1ccc(cc1)C1CC(=Nc2c(S1)cccc2)c1ccccc1

STK833836
Synonyms: 3-(1H-benzimidazol-2-yl)-4-hydroxyquinolin-2(1H)-one
Smiles: O=c1[nH]c2ccccc2c(c1c1nc2c([nH]1)cccc2)O

STK527477
Synonyms: N-(2-fluorophenyl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)Nc1ccccc1F

STK833839
Synonyms: 2-(methylsulfanyl)-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(SC)NC(=O)CC1c1ccc(cc1)[N+](=O)[O-]

STK833840
Synonyms: 9-(prop-2-en-1-yl)-2-(thiophen-2-yl)-9H-imidazo[1,2-a]benzimidazole
Smiles: C=CCn1c2nc(cn2c2c1cccc2)c1cccs1

STK833841
Synonyms: 3-(morpholin-4-yl)-1-phenylpropan-1-one
Smiles: O=C(c1ccccc1)CCN1CCOCC1

STK527479
Synonyms: 1-(5-methylthiophen-2-yl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Smiles: O=C(c1ccc(s1)C)CC12CC3CC(C2)CC(C1)C3

STK527481
Synonyms: 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-phenylbenzenesulfonamide
Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)Nc1ccccc1)C

STK527487
Synonyms: methyl3-{[3-(4-cyclohexylpiperazin-1-yl)propanoyl]amino}-5-methyl-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)C1CCCCC1)cc(cc2)C

STK527489
Synonyms: 2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]-N'-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]acetohydrazide
Smiles: N#Cc1c(SCC(=O)N/N=C/c2c3c(oc4c3CCCC4)cc(c2O)[N+](=O)[O-])nc(cc1c1ccccc1)c1ccccc1

STK833845
Synonyms: (2E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(3-methoxyphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)OC)/c1scc(n1)c1cccc(c1)Br

STK833847
Synonyms: 4-hydroxy-N-(4-iodophenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: Ic1ccc(cc1)NC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK527495
Synonyms: ethyl3-({[4-(ethoxycarbonyl)piperazin-1-yl]acetyl}amino)-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CC(=O)Nc1c([nH]c2c1cc(OC)cc2)C(=O)OCC

STK527497
Synonyms: 3-fluoro-N-[(1Z)-4,4,7-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline
Smiles: Cc1ccc2c(c1)NC(c1c2/c(=N/c2cccc(c2)F)/ss1)(C)C

STK527499
Synonyms: ethyl1-(2,3-dimethoxybenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Smiles: CCOC(=O)c1cc(n(c1C)Cc1cccc(c1OC)OC)C

STK527500
Synonyms: 6-fluoro-1,2,4-triazine-3,5(2H,4H)-dione
Smiles: Fc1n[nH]c(=O)[nH]c1=O

STK833849
Synonyms: methyl6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate
Smiles: COC(=O)C1(NC(=Nc2c1cc(Cl)cc2)C(F)(F)F)C(F)(F)F

STK527502
Synonyms: 2-{[3-(ethylamino)-3-oxopropanoyl]amino}benzoicacid
Smiles: CCNC(=O)CC(=O)Nc1ccccc1C(=O)O

STK833850
Synonyms: 9-oxo-7-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile
Smiles: N#CC1C(=O)NC(=C(C21CCCC2)C#N)SCC(=O)c1cc2ccccc2oc1=O

STK527503
Synonyms: 8-{4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl}-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)CC(=O)c1c[nH]c2c1cccc2

STK833851
Synonyms: 8-{(2E)-2-[(2E)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C=C/Cn1c(N/N=C/C(=C\c2ccccc2)/Br)nc2c1c(=O)[nH]c(=O)n2C

STK527504
Synonyms: [5-(thiophen-2-ylcarbonyl)thiophen-2-yl]aceticacid
Smiles: OC(=O)Cc1ccc(s1)C(=O)c1cccs1

STK527506
Synonyms: 2-{[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]amino}-1-(5-methoxy-1H-indol-3-yl)ethanone
Smiles: CCOCc1cnc(nc1NCC(=O)c1c[nH]c2c1cc(OC)cc2)C

STK527507
Synonyms: 8-(dimethylamino)-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N(C)C

STK833853
Synonyms: 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol
Smiles: ON1C2CCCCC2N(C1c1ccc(cc1)O)O

STK833854
Synonyms: 1-(3,6-dibromo-9H-carbazol-9-yl)-3-[(4-methoxyphenyl)amino]propan-2-ol
Smiles: COc1ccc(cc1)NCC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)O

STK833855
Synonyms: (2E)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-{[4-(propan-2-yl)phenyl]amino}prop-2-enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccc(cc1)C(C)C)/C#N

STK527510
Synonyms: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3,4-dimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1ccc(cc1)Cl

STK527511
Synonyms: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCSc1nc2c(n1CC(COc1ccc(cc1)CC)O)c(=O)[nH]c(=O)n2C

STK833856
Synonyms: 5-[(E)-phenyldiazenyl]-2,1,3-benzoxadiazol-4-amine
Smiles: Nc1c(/N=N/c2ccccc2)ccc2c1non2

STK527512
Synonyms: methyl5-chloro-3-({[(3S)-3-(2-ethoxy-2-oxoethyl)-2-oxopiperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)C[C@@H]1NCCN(C1=O)CC(=O)Nc1c([nH]c2c1cc(Cl)cc2)C(=O)OC

STK833857
Synonyms: 1-(3,4-dichlorophenyl)-2-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanone
Smiles: Cc1ccc(cc1)Cn1c2ccccc2n(c1=N)CC(=O)c1ccc(c(c1)Cl)Cl

STK527516
Synonyms: 6-hydroxy-2-imino-1,3-diphenyl-2,3-dihydropyrimidin-4(1H)-one
Smiles: Oc1cc(=O)n(c(=N)n1c1ccccc1)c1ccccc1

STK527517
Synonyms: dibutyl2,2'-(5-methyl-2-oxo-1H-benzimidazole-1,3(2H)-diyl)diacetate
Smiles: CCCCOC(=O)Cn1c2cc(C)ccc2n(c1=O)CC(=O)OCCCC

STK527520
Synonyms: (2Z)-3-[(4-ethylphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)CC)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK833861
Synonyms: 7-ethyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK833862
Synonyms: 4-ethyl-5,5-dimethyl-2-phenyl-2,5-dihydro-1H-imidazol-1-ol3-oxide
Smiles: CCC1=[N+]([O-])C(N(C1(C)C)O)c1ccccc1

STK833863
Synonyms: (2E)-3-[(3,4-dimethylphenyl)amino]-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C/Nc1ccc(c(c1)C)C)/C#N

STK833865
Synonyms: (2E)-3-[(2-methoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1OC)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK527532
Synonyms: 3-[(2-methyl-1,3-oxathiolan-2-yl)methyl]-1H-indole
Smiles: CC1(OCCS1)Cc1c[nH]c2c1cccc2

STK833866
Synonyms: 8-methyl-4,5-dihydro[1,2,5]oxadiazolo[3,4-f]cinnoline
Smiles: Cc1nnc2c(c1)c1nonc1CC2

STK833867
Synonyms: (2Z)-3-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(OC)c(cc1OC)Cl)/c1scc(n1)c1ccccc1

STK833870
Synonyms: 2-amino-4-[5-(4-bromophenyl)furan-2-yl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1ccc(o1)c1ccc(cc1)Br)C(=O)CCC2

STK833876
Synonyms: (2E)-3-[(4-ethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCOc1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)[N+](=O)[O-])\C#N

STK527545
Synonyms: {[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanyl}aceticacid
Smiles: COc1ccc(cc1)c1nc(SCC(=O)O)c(c(c1)c1ccc(cc1)OC)C#N

STK527546
Synonyms: (2Z)-2-(3,5-dimethylcyclopent-2-en-1-ylidene)hydrazinecarbothioamide
Smiles: CC1CC(=C/C/1=N\NC(=S)N)C

STK527549
Synonyms: (2Z)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)C)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK833879
Synonyms: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2,4-diethoxyphenyl)prop-2-enenitrile
Smiles: CCOc1cc(OCC)ccc1/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/C#N

STK527551
Synonyms: methyl3-[(N,N-dimethylglycyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN(C)C)cccc2

STK833881
Synonyms: (2Z,4E)-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile
Smiles: N#C/C(=C/C=C/c1ccccc1)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK833883
Synonyms: (2E)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-3-[(3-bromophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK527557
Synonyms: (2E)-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(propan-2-yl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1C(C)C)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK833885
Synonyms: N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(n1cnnc1)c1nc(nc(n1)N(C)C)N(C)C

STK833886
Synonyms: (2E)-3-[(3,4-dimethylphenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK833891
Synonyms: (5E)-5-(hydroxyimino)-4-[(2E)-2-(hydroxyimino)propyl]-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
Smiles: O/N=C(/CC1(O)/C(=N/O)/CCc2c1non2)\C

STK833892
Synonyms: 8-bromo-7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)C(=O)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C

STK527563
Synonyms: (2E)-3-[(4-butoxyphenyl)amino]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCCCOc1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(c(c1)C)C)\C#N

STK833895
Synonyms: 1-butyl-3-pyridin-2-ylurea
Smiles: CCCCNC(=O)Nc1ccccn1

STK527567
Synonyms: (1Z)-N-(oxiran-2-ylmethoxy)acenaphthylen-1(2H)-imine
Smiles: O(/N=C\1/Cc2c3c1cccc3ccc2)CC1CO1

STK527568
Synonyms: 3-methyl-7-(3-methylbutyl)-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCNCC1)C

STK527570
Synonyms: (ethoxycarbonyl)(3-methoxy-4-methyl-1,2,3-thiadiazol-3-ium-5-yl)azanide
Smiles: CCOC(=O)[N-]c1sn[n+](c1C)OC

STK527572
Synonyms: methyl4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)C(C1C(=O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

STK833900
Synonyms: 8-bromo-7-butyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C

STK527575
Synonyms: 4-(4-benzylpiperidin-1-yl)-2-(2-chlorophenyl)quinazoline
Smiles: Clc1ccccc1c1nc2ccccc2c(n1)N1CCC(CC1)Cc1ccccc1

STK833903
Synonyms: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCc1ccc(cc1)OCC(Cn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C)O

STK527581
Synonyms: 1-(4-acetylphenyl)-2-amino-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(N)N(C(=CC1(C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)C(=O)C

STK527583
Synonyms: 6-(2,6-dimethoxyphenoxy)-N-(tetrahydrofuran-2-ylmethyl)hexan-1-amine
Smiles: COc1cccc(c1OCCCCCCNCC1CCCO1)OC

STK527586
Synonyms: (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(4-iodophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)I)/c1scc(n1)c1ccc(cc1)Br

STK527590
Synonyms: N,N-diethyl-2-[2-(4-methylphenyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]ethanamine
Smiles: CCN(CCn1c(cn2c1nc1c2cccc1)c1ccc(cc1)C)CC

STK527594
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(3-nitrobenzyl)ethanamine
Smiles: CC(C1COc2c(O1)cccc2)NCc1cccc(c1)[N+](=O)[O-]

STK527602
Synonyms: (2E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(ccc1Cl)C(F)(F)F)/c1scc(n1)c1cccc(c1)Br

STK527604
Synonyms: methyl3,3,3-trifluoro-N-(furan-2-ylcarbonyl)-2-hydroxyalaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccco1)O

STK527610
Synonyms: 4,4'-sulfanediylbis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate)
Smiles: [O-]c1on[n+](c1Sc1c([O-])on[n+]1c1ccccc1)c1ccccc1

STK833911
Synonyms: (2Z)-3-[(2,5-dimethoxyphenyl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Smiles: COc1ccc(c(c1)N/C=C(\c1scc(n1)c1ccccc1)/C#N)OC

STK527611
Synonyms: 3-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoicacid
Smiles: CCc1ccc(cc1)OCC(Cn1c(SCCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C)O

STK527619
Synonyms: methyl3-{[N-(1,3-benzodioxol-5-yl)-N-ethylglycyl]amino}-5-methyl-1H-indole-2-carboxylate
Smiles: CCN(c1ccc2c(c1)OCO2)CC(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC

STK833917
Synonyms: N-[(E)-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
Smiles: COc1ccc(cc1COc1cc(C)c(cc1C(C)C)Cl)/C=N/n1cnnc1

STK527620
Synonyms: 2-[(7-heptyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Smiles: CCCCCCCn1c(SCC(=O)N)nc2c1c(=O)[nH]c(=O)n2C

STK527632
Synonyms: (2E)-3-[(4-nitrophenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK833920
Synonyms: (2Z)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)C)/c1scc(n1)c1ccc(cc1C)C

STK833921
Synonyms: (2E)-3-[(2-chlorophenyl)amino]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1Cl)/c1scc(n1)c1ccc(c(c1)C)C

STK527634
Synonyms: ethyl(2E)-2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate
Smiles: CCOC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/C(=O)C

STK833922
Synonyms: (2E)-3-[(2-iodophenyl)amino]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1I)/c1scc(n1)c1ccc(cc1)C

STK833923
Synonyms: (2E)-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)C(F)(F)F)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

STK527639
Synonyms: (2E)-3-[(3,4-dimethylphenyl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1ccccc1

STK527640
Synonyms: N-(3-chlorophenyl)-2-(2,4-dichlorophenyl)quinazolin-4-amine
Smiles: Clc1ccc(c(c1)Cl)c1nc(Nc2cccc(c2)Cl)c2c(n1)cccc2

STK527641
Synonyms: 4-({N-[(4-ethoxyphenyl)carbonyl]-beta-alanyl}amino)butanoicacid
Smiles: CCOc1ccc(cc1)C(=O)NCCC(=O)NCCCC(=O)O

STK833925
Synonyms: (2E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(3-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)OC

STK833926
Synonyms: 3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK833927
Synonyms: ethyl2-{[7-(3-bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoate
Smiles: CCOC(=O)C(Sc1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=O)n2C)C

STK527646
Synonyms: 5-(furan-2-yl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Smiles: O=C1CC(C)(C)CC2=C1c1c(NC2c2ccco2)ccc2c1cccc2

STK527648
Synonyms: 6,7-dimethoxy-3-(naphthalen-2-ylamino)-2-benzofuran-1(3H)-one
Smiles: COc1ccc2c(c1OC)C(=O)OC2Nc1ccc2c(c1)cccc2

STK527649
Synonyms: (2E)-3-[(4-chlorophenyl)amino]-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Cl)/c1scc(n1)c1ccc(cc1Cl)Cl

STK527650
Synonyms: methyl[(6-methyl-1,3-benzothiazol-2-yl)amino](oxo)acetate
Smiles: COC(=O)C(=O)Nc1nc2c(s1)cc(cc2)C

STK833933
Synonyms: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

STK833934
Synonyms: 6-(morpholin-4-ylmethyl)-6H-indolo[2,3-b]quinoxaline
Smiles: O1CCN(CC1)Cn1c2ccccc2c2c1nc1ccccc1n2

STK833935
Synonyms: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(cc1)C)/c1scc(n1)c1ccc2c(c1)OCO2

STK527651
Synonyms: (2E)-3-[(4-chlorophenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Cl)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK833936
Synonyms: 8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2c(n1C)c(=O)[nH]c(=O)n2C

STK833937
Synonyms: 1-(4-ethoxyphenyl)-2-[2-imino-3-(prop-2-en-1-yl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
Smiles: C=CCn1c(=N)n(c2c1cccc2)CC(c1ccc(cc1)OCC)O

STK527655
Synonyms: (2Z)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(cc1)C(C)C)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK527661
Synonyms: chloro(dipiperidin-1-ylphosphoryl)acetaldehyde
Smiles: O=CC(P(=O)(N1CCCCC1)N1CCCCC1)Cl

STK527668
Synonyms: 10-aminodecahydroacridine-4a,10a(2H,10H)-dicarbonitrile
Smiles: N#CC12CCCCC1CC1C(N2N)(C#N)CCCC1

STK527672
Synonyms: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol
Smiles: COc1ccccc1N1CCN(CC1)CC(c1c(C)[nH]c2c1cccc2)O

STK527675
Synonyms: 1,5-dimethyl-2-phenyl-4-[phenyl(pyridin-2-ylamino)methyl]-1,2-dihydro-3H-pyrazol-3-one
Smiles: O=c1n(c2ccccc2)n(c(c1C(c1ccccc1)Nc1ccccn1)C)C

STK833945
Synonyms: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(4-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)Cl

STK833946
Synonyms: 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(N/N=C/C(=C/c2ccccc2)/Br)nc2c1c(=O)[nH]c(=O)n2C

STK833948
Synonyms: 3,5-di(morpholin-4-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: O=C1c2ccccc2c2c3c1c(cc(c3no2)N1CCOCC1)N1CCOCC1

STK527677
Synonyms: ethyl1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CC(=O)c1c(C)[nH]c2c1cccc2

STK833952
Synonyms: 1-(3,6-dichloro-9H-carbazol-9-yl)-3-[(2-methylphenyl)amino]propan-2-ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)CNc1ccccc1C

STK527683
Synonyms: 2-(2-chlorophenyl)-N-cyclohexylquinazolin-4-amine
Smiles: Clc1ccccc1c1nc(NC2CCCCC2)c2c(n1)cccc2

STK527684
Synonyms: 1,3-dimethyl-4-{[(E)-phenylmethylidene]amino}tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
Smiles: CN1C2C(N(C1=O)C)NC(=O)N2/N=C/c1ccccc1

STK833953
Synonyms: (2E)-3-[(2-iodophenyl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1I)/c1scc(n1)c1ccccc1

STK527688
Synonyms: N-(3,4-dimethoxybenzyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)NCc1ccc(c(c1)OC)OC

STK527689
Synonyms: (1Z)-3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropanimidamide
Smiles: NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N

STK527692
Synonyms: 2-methyl-3-(propan-2-yl)-6-(pyrrolidin-1-yl)hex-4-yn-3-ol
Smiles: CC(C(C(C)C)(C#CCN1CCCC1)O)C

STK833956
Synonyms: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-butoxyphenyl)prop-2-enenitrile
Smiles: CCCCOc1ccc(cc1)/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/C#N

STK833957
Synonyms: 1,1'-(1,3-dimethyl-2-oxoimidazolidine-4,5-diyl)bis(3-tert-butylurea)
Smiles: CN1C(NC(=O)NC(C)(C)C)C(N(C1=O)C)NC(=O)NC(C)(C)C

STK833958
Synonyms: 2-methyl-3-(4-methylpiperidin-1-yl)quinoxaline
Smiles: CC1CCN(CC1)c1nc2ccccc2nc1C

STK527698
Synonyms: 2-amino-1-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4,4-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile
Smiles: N#CC1=C(N)N(c2sc(c(c2C#N)CC)C)C2=C(C1(C(F)(F)F)C(F)(F)F)CCC2

STK527701
Synonyms: (2Z)-3-[(2,4-dichlorophenyl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1Cl)Cl)/c1scc(n1)c1ccccc1

STK527702
Synonyms: N-[3-(diethylamino)propyl]-N'-(1,3-thiazol-2-yl)ethanediamide
Smiles: CCN(CCCNC(=O)C(=O)Nc1nccs1)CC

STK527706
Synonyms: (2Z)-3-[(2,4-dichlorophenyl)amino]-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1Cl)Cl)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

STK527707
Synonyms: (2Z)-3-[(2,3-dichlorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1Cl)Cl)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK833961
Synonyms: 1,4-dimethoxy-4a-methyloctahydroquinoxaline-2,3-dione
Smiles: CON1C(=O)C(=O)N(C2(C1CCCC2)C)OC

STK833962
Synonyms: (2Z)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-(phenylamino)prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccccc1)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK833963
Synonyms: 3,3'-[benzene-1,4-diylbis(oxy)]bis[1-(phenylamino)propan-2-ol]
Smiles: OC(COc1ccc(cc1)OCC(CNc1ccccc1)O)CNc1ccccc1

STK527708
Synonyms: 8-(ethylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(SCC)nc2c1c(=O)[nH]c(=O)n2C

STK833967
Synonyms: 2-(4-ethoxyphenyl)-1-ethyl-8-methyl-5,6-dihydrodipyrrolo[1,2-a:2',1'-c]pyrazine
Smiles: CCOc1ccc(cc1)c1cn2c(c1CC)c1ccc(n1CC2)C

STK527710
Synonyms: (9E)-9-(2-carbamothioylhydrazinylidene)-9H-fluorene-4-carboxylicacid
Smiles: NC(=S)N/N=C/1\c2ccccc2c2c1cccc2C(=O)O

STK527712
Synonyms: 7-hydroxy-6-methyl-3-(4-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: Cc1ccc(cc1)Oc1c(=O)c2cc(C)c(cc2oc1C(F)(F)F)O

STK833972
Synonyms: (2Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-yl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cccc2c1cccc2)/c1scc(n1)c1ccc(cc1Cl)Cl

STK833974
Synonyms: (4E)-N-hydroxy-2,2-dimethyl-2,5,6,7-tetrahydro-4H-benzimidazol-4-imine1-oxide
Smiles: O/N=C/1\CCCC2=[N+](C(N=C12)(C)C)[O-]

STK527721
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)Cl)NC(=O)C(C21CCCCC2)C#N

STK527722
Synonyms: (2Z)-3-(2-bromophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccccc1Br)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK833976
Synonyms: (2Z)-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-[(4-fluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)F)/c1scc(n1)c1ccc(c(c1)C)C

STK527725
Synonyms: 1-(9H-carbazol-9-yl)-3-ethoxypropan-2-ol
Smiles: CCOCC(Cn1c2ccccc2c2c1cccc2)O

STK833977
Synonyms: 2,6-di-tert-butyl-4-[(2-hydroxyphenyl)(morpholin-4-yl)methyl]phenol
Smiles: Oc1ccccc1C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)N1CCOCC1

STK527726
Synonyms: 2-(8-methyl-3-oxo-8-pentylhexahydro-7H-[1,3]thiazolo[3,2-a]pyrazin-7-yl)acetohydrazide
Smiles: CCCCCC1(C)N(CCN2C1SCC2=O)CC(=O)NN

STK527728
Synonyms: methyl3-({[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1C)C)cccc2

STK527729
Synonyms: 2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)quinazolin-4-amine
Smiles: Cc1ccc(cc1C)Nc1nc(nc2c1cccc2)c1ccc(c(c1)Cl)Cl

STK527736
Synonyms: methyl6-(4-bromophenyl)-3,5,5-trimethyl-2,4-dioxotetrahydro-2H-pyran-3-carboxylate
Smiles: COC(=O)C1(C)C(=O)OC(C(C1=O)(C)C)c1ccc(cc1)Br

STK527746
Synonyms: 3-hexanoyl-1,3-benzoxazol-2(3H)-one
Smiles: CCCCCC(=O)n1c(=O)oc2c1cccc2

STK833992
Synonyms: N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-N-cyano-2-(2,4-dichlorophenoxy)acetamide
Smiles: N#CN(c1nc(nc(n1)N(C)C)N(C)C)C(=O)COc1ccc(cc1Cl)Cl

STK833998
Synonyms: 5-cyano-6-(ethylsulfanyl)-4-(4-hydroxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccc(cc1)O

STK527755
Synonyms: [(3R)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl](10H-phenothiazin-10-yl)methanone
Smiles: COc1cccc(c1)N1CCN(CC1C)C(=O)N1c2ccccc2Sc2c1cccc2

STK834003
Synonyms: 5,5,5',5'-tetramethyl-4,4',5,5'-tetrahydro-3,3'-bi-1,2,4-oxadiazole
Smiles: CC1(C)ON=C(N1)C1=NOC(N1)(C)C

STK527759
Synonyms: dipropyl(acetylcarbamoyl)phosphoramidate
Smiles: CCCOP(=O)(NC(=O)NC(=O)C)OCCC

STK527762
Synonyms: N-(naphthalen-1-ylcarbamoyl)phenylalanine
Smiles: O=C(Nc1cccc2c1cccc2)NC(C(=O)O)Cc1ccccc1

STK834004
Synonyms: N-ethyl-6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxamide
Smiles: CCNC(=O)c1ccc2c3c1noc3c1c(C2=O)cccc1

STK834005
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-[(E)-(3-nitrophenyl)methylidene]ethanamine
Smiles: CC(C1COc2c(O1)cccc2)/N=C/c1cccc(c1)[N+](=O)[O-]

STK527768
Synonyms: 4-{[(1E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Smiles: COc1cc(OC)ccc1C(=O)/C=C/Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)CC

STK834006
Synonyms: (2E)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(propan-2-yl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1C(C)C)/c1scc(n1)c1cc2ccccc2oc1=O

STK834008
Synonyms: (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-4-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)Br

STK527771
Synonyms: 1-(1,2-dimethyl-1H-indol-3-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone
Smiles: O=C(c1c(C)n(c2c1cccc2)C)CN1CCN(CC1)c1cccc(c1)C(F)(F)F

STK527772
Synonyms: 2-[3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol
Smiles: Clc1ccc(cc1)Cn1c2ccccc2n(c1=N)CC(c1ccc(c(c1)Cl)Cl)O

STK527773
Synonyms: 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(diphenylmethyl)piperazine
Smiles: COc1cccc(c1OCCCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)OC

STK527775
Synonyms: 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzenesulfonamide
Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)Nc1cccc(c1)C)C

STK527778
Synonyms: 4-({(E)-2-cyano-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)N)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK527779
Synonyms: (2Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(4-fluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)F)/c1scc(n1)c1ccc(cc1)Cl

STK527782
Synonyms: (2Z)-3-[(2,3-dichlorophenyl)amino]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1Cl)Cl)/c1scc(n1)c1ccc(cc1)OC

STK834013
Synonyms: (2E)-3-[(4-methylphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)C)/c1scc(n1)c1cc2ccccc2oc1=O

STK527784
Synonyms: N-(4-ethylphenyl)-2-{[4-hydroxy-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nc(O)cc(n1)C(F)(F)F

STK834018
Synonyms: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccccc1C)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK527788
Synonyms: N-[2,4-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylfuran-2-carboxamide
Smiles: CN(c1ccc(cc1C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O)C(=O)c1ccco1

STK834019
Synonyms: (2Z)-3-[(4-ethylphenyl)amino]-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)CC)/c1scc(n1)c1cccc(c1)OC

STK527790
Synonyms: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)F)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK527791
Synonyms: 7-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
Smiles: COc1ccc2c(c1)sc1n2cc(n1)c1ccccc1

STK527792
Synonyms: 2-(4-bromophenyl)-1-[3-(pyrrolidin-1-yl)propyl]-1H-imidazo[1,2-a]benzimidazole
Smiles: Brc1ccc(cc1)c1cn2c(n1CCCN1CCCC1)nc1c2cccc1

STK527795
Synonyms: 2-amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbothioamide
Smiles: NC(=S)C1=C(N)OC2=C(C1c1cccs1)C(=O)CCC2

STK527797
Synonyms: (2Z)-3-[(2,5-dichlorophenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)ccc1Cl)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK527801
Synonyms: (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)CC(C)C

STK527806
Synonyms: (2E)-3-[(2-ethylphenyl)amino]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1CC)/c1scc(n1)c1ccc(cc1)C

STK527809
Synonyms: (2Z)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])O)/c1scc(n1)c1ccc(c(c1)OC)OC

STK834029
Synonyms: (2E)-3-[(4-ethoxyphenyl)amino]-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCOc1ccc(cc1)N/C=C(/c1scc(n1)c1cccc(c1)OC)\C#N

STK527811
Synonyms: dimethyl1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
Smiles: COC(=O)c1c(C(=O)OC)c(n(c1C)CCc1ccc(c(c1)OC)OC)C

STK527812
Synonyms: 1-[(4-bromophenyl)amino]-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-ol
Smiles: Brc1ccc(cc1)NCC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)O

STK527818
Synonyms: (2Z)-3-(4-butoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCCCOc1ccc(cc1)/C=C(\c1scc(n1)c1ccc(c(c1)OC)OC)/C#N

STK527822
Synonyms: N-cyclohexyl-2-(3,4-dichlorophenyl)quinazolin-4-amine
Smiles: Clc1ccc(cc1Cl)c1nc(NC2CCCCC2)c2c(n1)cccc2

STK527823
Synonyms: 2-chloro-N-(5,6-diphenyl-1,2,4-triazin-3-yl)acetamide
Smiles: ClCC(=O)Nc1nnc(c(n1)c1ccccc1)c1ccccc1

STK527824
Synonyms: 4,4'-(phenylmethanediyl)bis[3-methyl-1-(pyridin-2-yl)-1H-pyrazol-5-ol]
Smiles: Cc1nn(c(c1C(c1c(C)nn(c1O)c1ccccn1)c1ccccc1)O)c1ccccn1

STK527826
Synonyms: 1-[(2E)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)-2-(4-methoxybenzylidene)hydrazinyl]propan-2-ol
Smiles: COc1ccc(cc1)/C=N/N(C1=NS(=O)(=O)c2c1cccc2)CC(O)C

STK834036
Synonyms: (2E)-3-[(2,4-dimethylphenyl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C)C)/c1scc(n1)c1ccccc1

STK527829
Synonyms: (2Z)-3-[(2,3-dimethylphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1C)C)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK834039
Synonyms: (2E)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-3-[(4-butoxyphenyl)amino]prop-2-enenitrile
Smiles: CCCCOc1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)c1ccccc1)\C#N

STK527831
Synonyms: (2E)-3-[(3-bromophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK834040
Synonyms: 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-ylacetate
Smiles: CC(=O)OC1N=C(c2ccccc2)c2c(NC1=O)ccc(c2)C

STK527834
Synonyms: 2-butyl-10-iminotetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
Smiles: CCCCC1OC23CCCCC3C(C1(C#N)C(=N)O2)(C#N)C#N

STK527835
Synonyms: (2E)-3-[(4-butoxyphenyl)amino]-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCCCOc1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)OCC)\C#N

STK834041
Synonyms: N-[4-({(E)-2-cyano-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)phenyl]acetamide
Smiles: N#C/C(=C\Nc1ccc(cc1)NC(=O)C)/c1scc(n1)c1ccc(c(c1)C)C

STK527838
Synonyms: (2E)-3-[(3-bromophenyl)amino]-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1ccc(cc1)CC(C)C

STK527841
Synonyms: (2E)-3-[(3-butoxyphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1cc2ccccc2oc1=O)\C#N

STK527843
Synonyms: 3-{[(1E,2Z)-2-benzylideneheptylidene]amino}-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: CCCCC/C(=C/c1ccccc1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)OC

STK527844
Synonyms: 2-(2-fluoro-4-methoxyphenyl)quinoline-4-carboxylicacid
Smiles: COc1ccc(c(c1)F)c1nc2ccccc2c(c1)C(=O)O

STK527845
Synonyms: (1E)-1-(2-oxodihydrofuran-3(2H)-ylidene)ethyltricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Smiles: C/C(=C\1/CCOC1=O)/OC(=O)C12CC3CC(C2)CC(C1)C3

STK527851
Synonyms: 7-(3-bromobenzyl)-3-methyl-8-[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1cccc(c1)Cn1c(N/N=C\2/C(=O)Nc3c2cccc3)nc2c1c(=O)[nH]c(=O)n2C

STK527852
Synonyms: N-{(E)-amino[(4,6,7-trimethylquinazolin-2-yl)amino]methylidene}-2-methylpropanamide
Smiles: N/C(=N\C(=O)C(C)C)/Nc1nc(C)c2c(n1)cc(c(c2)C)C

STK527853
Synonyms: ethyl1-[2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CC(=O)c1c(C)n(c2c1cc(OC)cc2)C

STK834045
Synonyms: (2Z,4E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile
Smiles: N#C/C(=C/C=C/c1ccccc1)/c1scc(n1)c1ccc2c(c1)OCO2

STK527854
Synonyms: 8-(2,5-dimethyl-1H-pyrrol-1-yl)-4-phenylquinoline
Smiles: Cc1ccc(n1c1cccc2c1nccc2c1ccccc1)C

STK527856
Synonyms: 1-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-ethylthiourea
Smiles: CCNc1nc(NCC)nc(n1)N(C(=S)N)CC

STK527858
Synonyms: 4-chloro-N-[4-(5-{[(4-chlorophenyl)carbonyl]amino}-1H-benzimidazol-2-yl)phenyl]benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1ccc(cc1)c1[nH]c2c(n1)cc(cc2)NC(=O)c1ccc(cc1)Cl

STK527861
Synonyms: [(3-methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]aceticacid
Smiles: CCCn1c(SCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C

STK834048
Synonyms: 3,3'-[(3-fluorophenyl)methanediyl]bis(4-hydroxy-2H-chromen-2-one)
Smiles: Fc1cccc(c1)C(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2

STK834053
Synonyms: 3,3'-[benzene-1,4-diylbis(oxy)]bis{1-[(4-methylphenyl)amino]propan-2-ol}
Smiles: OC(COc1ccc(cc1)OCC(CNc1ccc(cc1)C)O)CNc1ccc(cc1)C

STK527874
Synonyms: (2Z)-3-[(3,5-dimethylphenyl)amino]-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(C)cc(c1)C)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

STK834054
Synonyms: 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol
Smiles: Oc1ccccc1c1n[nH]c(n1)c1ccccc1O

STK527878
Synonyms: 6-amino-3-methyl-4-[5-(4-nitrophenyl)furan-2-yl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])c(C)n[nH]2

STK527880
Synonyms: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-5H-pyrimido[5,4-b]indole
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cccc(c1C)C

STK527883
Synonyms: 10-nonylacridin-9(10H)-one
Smiles: CCCCCCCCCn1c2ccccc2c(=O)c2c1cccc2

STK527886
Synonyms: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: CCn1cc(C(=O)Nc2nnc(s2)C)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F

STK527887
Synonyms: N-{2-[2-(4-methoxyphenyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]ethyl}-2-methylpropan-2-amine
Smiles: COc1ccc(cc1)c1cn2c(n1CCNC(C)(C)C)nc1c2cccc1

STK527891
Synonyms: furan-2-yl{4-[6-(naphthalen-1-yloxy)hexyl]piperazin-1-yl}methanone
Smiles: O=C(c1ccco1)N1CCN(CC1)CCCCCCOc1cccc2c1cccc2

STK527894
Synonyms: N-{(E)-2-[bis(propan-2-yloxy)phosphoryl]-2-chloroethenyl}glycine
Smiles: CC(OP(=O)(/C(=C\NCC(=O)O)/Cl)OC(C)C)C

STK527896
Synonyms: ethyl3,3,3-trifluoro-N-(pyridin-3-ylcarbonyl)-2-[(pyridin-2-ylmethyl)amino]alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(NC(=O)c1cccnc1)NCc1ccccn1

STK834067
Synonyms: (2Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(phenylamino)prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccccc1)/c1scc(n1)c1ccc(cc1)Cl

STK834070
Synonyms: (2E)-3-[(4-ethoxyphenyl)amino]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCOc1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)OC)\C#N

STK834071
Synonyms: (4R)-5-acetyl-6-methyl-4-(2-nitrophenyl)-2-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)C23CC4CC(C3)CC(C2)C4)NC(=C([C@H]1c1ccccc1[N+](=O)[O-])C(=O)C)C

STK527911
Synonyms: 2-(4-benzylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
Smiles: O=C(c1c[nH]c2c1cccc2)CN1CCN(CC1)Cc1ccccc1

STK834074
Synonyms: 8-(ethylamino)-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C

STK527914
Synonyms: (5E)-1-methyl-5-[1-(phenylamino)ethylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CN1C(=O)NC(=O)/C(=C(\Nc2ccccc2)/C)/C1=O

STK834076
Synonyms: N'-[(E)-furan-2-ylmethylidene]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
Smiles: O=C1CCCN1c1cccc(c1)C(=O)N/N=C/c1ccco1

STK834077
Synonyms: 3-(3-nitrophenyl)-3,4-dihydro-2H-benzo[f]chromeno[3,4-c]quinolin-2-one
Smiles: O=c1oc2ccccc2c2c1C(Nc1c2c2ccccc2cc1)c1cccc(c1)[N+](=O)[O-]

STK527920
Synonyms: (2E)-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1c(C)cc(cc1C)C)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK527924
Synonyms: N'-[(3E)-5-bromo-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]-4-methoxybenzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C/1\c2cc(Br)ccc2N(C1=O)CN1CCCCC1c1cccnc1

STK527928
Synonyms: ethyl2-(piperidin-1-yl)-6-(pyridin-3-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
Smiles: CCOC(=O)C1(N=C(OC(=N1)c1cccnc1)N1CCCCC1)C(F)(F)F

STK527930
Synonyms: 4-(furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile
Smiles: N#Cc1c(S)nc(cc1c1ccco1)C

STK527933
Synonyms: methyl1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Smiles: COC(=O)c1cc(n(c1C)c1ccc(c(c1)OC)OC)c1ccccc1

STK834084
Synonyms: 7-hexyl-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCOCC1

STK834085
Synonyms: 8-(ethylsulfanyl)-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCSc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]c(=O)n2C

STK527935
Synonyms: (7E)-N-hydroxy-4,4,6,6-tetramethyl-5-nitroso-5,6-dihydro[1,2,5]oxadiazolo[3,4-c]pyridin-7(4H)-imine
Smiles: O=NN1C(C)(C)/C(=N\O)/c2c(C1(C)C)non2

STK527938
Synonyms: 1-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCC(CC1)(O)c1cccc(c1)C(F)(F)F

STK527942
Synonyms: 3-(3-hydroxypropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: OCCCn1cnc2c(c1=O)[nH]c1c2cccc1

STK834093
Synonyms: 8-(azepan-1-yl)-7-benzyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(Cc1ccccc1)c(n2)N1CCCCCC1)C

STK527947
Synonyms: 2-[(1,1-dioxido-2,5-dihydrothiophen-3-yl)methyl]-1H-2lambda~4~,1,3-benzothiadiazole
Smiles: O=S1(=O)CC=C(C1)CS1=Nc2c(N1)cccc2

STK834094
Synonyms: (2Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(2-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccccc1C)/c1scc(n1)c1ccc(cc1)Cl

STK527948
Synonyms: 5-[(E)-(3,5-dimethyl-1,2-oxazol-4-yl)diazenyl]-2,1,3-benzoxadiazol-4-amine
Smiles: Cc1onc(c1/N=N/c1ccc2c(c1N)non2)C

STK527950
Synonyms: 4-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide
Smiles: N#CC1=C(N)N(c2ccc(cc2)S(=O)(=O)Nc2cc(C)nc(n2)C)C(=CC1(C(F)(F)F)C(F)(F)F)C

STK834095
Synonyms: (2Z)-3-[(2,3-dichlorophenyl)amino]-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1Cl)Cl)/c1scc(n1)c1cccc(c1)OC

STK527955
Synonyms: (2E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1c(C)cc(cc1C)C)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK527959
Synonyms: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylamino)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc2c1cccc2)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK527961
Synonyms: N-{1,1,1,3,3,3-hexafluoro-2-[(pyridin-2-ylmethyl)amino]propan-2-yl}furan-2-carboxamide
Smiles: O=C(c1ccco1)NC(C(F)(F)F)(C(F)(F)F)NCc1ccccn1

STK527964
Synonyms: 2-(4-propoxybenzyl)butanedioicacid
Smiles: CCCOc1ccc(cc1)CC(C(=O)O)CC(=O)O

STK527965
Synonyms: 3-[3-(4-chlorophenyl)benzo[f]quinolin-1-yl]-2H-chromen-2-one
Smiles: Clc1ccc(cc1)c1nc2ccc3c(c2c(c1)c1cc2ccccc2oc1=O)cccc3

STK527967
Synonyms: (2Z)-3-[(3-methylphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1)C)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK527969
Synonyms: (1Z,4E)-N,N'-dihydroxy-2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine
Smiles: O/N=C\1/C=C(C(C)C)/C(=N/O)/C=C1C

STK527970
Synonyms: N-[(E)-{4-methoxy-3-[(pyridin-2-yloxy)methyl]phenyl}methylidene]-1H-1,2,4-triazol-5-amine
Smiles: COc1ccc(cc1COc1ccccn1)/C=N/c1ncn[nH]1

STK527971
Synonyms: 1,4-bis(oxiran-2-ylmethyl)-1,4-dihydro-5H-tetrazol-5-one
Smiles: O=c1n(CC2OC2)nnn1CC1OC1

STK527972
Synonyms: (2Z)-3-(3-bromophenyl)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1cccc(c1)Br)/c1scc(n1)c1ccc(c(c1)OC)OC

STK527973
Synonyms: 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
Smiles: CCCC1OC23CCCCC3C(C1(C#N)C(=N)O2)(C#N)C#N

STK527974
Synonyms: ethyl1-(3,4-dimethoxybenzyl)-2,4,5-trimethyl-1H-pyrrole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c(c1C)C)Cc1ccc(c(c1)OC)OC

STK527975
Synonyms: methyl1-benzyl-5-bromo-6-oxo-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cn(Cc2ccccc2)c(=O)c(c1)Br

STK527977
Synonyms: N-(2-{(2E)-2-[4-methoxy-3-(morpholin-4-ylmethyl)benzylidene]hydrazinyl}-2-oxoethyl)benzamide(non-preferredname)
Smiles: COc1ccc(cc1CN1CCOCC1)/C=N/NC(=O)CNC(=O)c1ccccc1

STK527978
Synonyms: 1-methyl-5-(naphthalen-2-yloxy)-4-nitro-1H-imidazole
Smiles: Cn1cnc(c1Oc1ccc2c(c1)cccc2)[N+](=O)[O-]

STK834106
Synonyms: (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(3,4-dimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1ccc(c(c1)OC)OC

STK527981
Synonyms: 9-methyl-10-[2-(trifluoromethyl)benzyl]decahydroacridine-4a,10a(2H,10H)-dicarbonitrile
Smiles: N#CC12CCCCC1C(C)C1C(N2Cc2ccccc2C(F)(F)F)(C#N)CCCC1

STK527982
Synonyms: (2Z)-3-[(2,3-dichlorophenyl)amino]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1Cl)Cl)/c1scc(n1)c1ccc(cc1)C

STK527984
Synonyms: N-[(E)-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}methylidene]morpholin-4-amine
Smiles: COc1ccc(cc1CSc1ccccn1)/C=N/N1CCOCC1

STK527986
Synonyms: (2E)-3-[(4-iodophenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)I)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK527989
Synonyms: ethyl{10-[N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-beta-alanyl]-10H-phenothiazin-2-yl}carbamate
Smiles: CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCNC13CC4CC(C3)CC(C1)C4)c1c(S2)cccc1

STK527991
Synonyms: methyl2-(4-{[({[(1E)-1-chloropropylidene]amino}oxy)carbonyl](methyl)amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Smiles: CC/C(=N\OC(=O)N(c1ccc(cc1)C(C(F)(F)F)(C(=O)OC)O)C)/Cl

STK834114
Synonyms: diethyl[1-(phenylamino)cyclohexyl]phosphonate
Smiles: CCOP(=O)(C1(CCCCC1)Nc1ccccc1)OCC

STK527994
Synonyms: (2E)-3-[(4-chlorophenyl)amino]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Cl)/c1scc(n1)c1ccc(cc1)Cl

STK527995
Synonyms: (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(4-fluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)F)/c1scc(n1)c1ccc(cc1)Br

STK528000
Synonyms: 1,1''-dichloro-1,1':3',1''-ter(cyclohexan)-2'-one
Smiles: O=C1C(CCCC1C1(Cl)CCCCC1)C1(Cl)CCCCC1

STK528003
Synonyms: 2-(4-chlorophenyl)-1-(cyclopropylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)C(c2ccc(cc2)Cl)C(N2C1C=Cc1c2cccc1)C(=O)C1CC1

STK528004
Synonyms: 2-{(E)-[(6-methylpyridin-2-yl)imino]methyl}-4-nitronaphthalen-1-ol
Smiles: Cc1cccc(n1)/N=C/c1cc([N+](=O)[O-])c2c(c1O)cccc2

STK834118
Synonyms: 5-cyano-4-(furan-2-yl)-2-methyl-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C

STK528005
Synonyms: (2Z)-2-{[4-(dimethylamino)phenyl]imino}-6-methoxybenzo[de]chromen-3(2H)-one
Smiles: COc1ccc2c3c1cccc3O/C(=N\c1ccc(cc1)N(C)C)/C2=O

STK528006
Synonyms: 2-(3,4-dichlorophenyl)-N-(propan-2-yl)quinazolin-4-amine
Smiles: CC(Nc1nc(nc2c1cccc2)c1ccc(c(c1)Cl)Cl)C

STK834122
Synonyms: N-(3-chlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-amine
Smiles: Clc1cccc(c1)Nc1nc2ccccc2nc1n1nc(cc1C)C

STK528010
Synonyms: 2-[(1,3-dioxolan-2-ylmethyl)(methyl)amino]-1-(5-methoxy-1H-indol-3-yl)ethanone
Smiles: COc1ccc2c(c1)c(c[nH]2)C(=O)CN(CC1OCCO1)C

STK528017
Synonyms: 2-methyl-6-(4-methylphenyl)imidazo[1,2-b][1,2,4]triazin-3(4H)-one
Smiles: Cc1ccc(cc1)c1nc2n(c1)nc(c(=O)[nH]2)C

STK528018
Synonyms: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2-chlorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1Cl)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK528020
Synonyms: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(pyridin-4-ylmethyl)-1,4-dihydroquinoline-3-carboxamide
Smiles: CCn1cc(C(=O)NCc2ccncc2)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F

STK528024
Synonyms: N-(4-acetylphenyl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)Nc1ccc(cc1)C(=O)C

STK528025
Synonyms: ethyl5-fluoro-3-({[(3R)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(C(C1)C)c1cccc(c1)OC)cc(cc2)F

STK528026
Synonyms: (2Z)-3-[(5-chloro-2-methoxyphenyl)amino]-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)ccc1OC)/c1scc(n1)c1ccc(cc1)CC(C)C

STK528028
Synonyms: 3-(3,5-dimethoxybenzyl)-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1cc(cc(c1)OC)Cn1cnc2c(c1=O)[nH]c1c2cc(cc1)C

STK528030
Synonyms: 1,1-dioxido-4,5-dihydrothiophen-3-ylhexylsulfoxide
Smiles: CCCCCCS(=O)C1=CS(=O)(=O)CC1

STK834131
Synonyms: 8-(butan-2-ylsulfanyl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C=C/Cn1c(SC(CC)C)nc2c1c(=O)[nH]c(=O)n2C

STK834132
Synonyms: (2Z)-3-[(3-methylphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1)C)/c1scc(n1)c1cc2ccccc2oc1=O

STK528033
Synonyms: ethylN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(propanoylamino)alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCC2)NC(=O)CC

STK528044
Synonyms: 5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
Smiles: O=c1[nH]c(=O)n(cc1F)C1CCCO1

STK528045
Synonyms: (2Z)-3-[(4-fluorophenyl)amino]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)F)/c1scc(n1)c1ccc(cc1)C

STK834136
Synonyms: 1-(cyclopropylcarbonyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)C2C=Cc3c(N2C(C1c1ccco1)C(=O)C1CC1)cccc3

STK528048
Synonyms: 2-methoxy-6-{(E)-[2-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)hydrazinylidene]methyl}phenol
Smiles: COc1cccc(c1O)/C=N/Nc1nc2ccccc2n2c1nnc2

STK528049
Synonyms: (2Z)-3-(naphthalen-1-yl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1cccc2c1cccc2)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK528054
Synonyms: 1,1':3',1''-ter(cyclohexane)-1,1''-dien-2'-one
Smiles: O=C1C(CCCC1C1=CCCCC1)C1=CCCCC1

STK528060
Synonyms: (2E)-3-[(3-butoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1ccc(cc1)[N+](=O)[O-])\C#N

STK528062
Synonyms: 2,2'-ethane-1,2-diylbis[1-(oxiran-2-ylmethyl)-1H-benzimidazole]
Smiles: c1ccc2c(c1)n(CC1CO1)c(n2)CCc1nc2c(n1CC1CO1)cccc2

STK834144
Synonyms: 1-(3,6-dibromo-9H-carbazol-9-yl)-3-[(4-methylphenyl)amino]propan-2-ol
Smiles: Cc1ccc(cc1)NCC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)O

STK834147
Synonyms: 1,7-dibenzyl-8-[(2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1)O

STK834150
Synonyms: N-ethyl-N'-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]ethanediamide
Smiles: CCNC(=O)C(=O)Nc1scc(n1)C12CC3CC(C2)CC(C1)C3

STK834151
Synonyms: 1,3-dibenzyl-4,6-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Smiles: Cc1cc(C)c2c(c1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1

STK528067
Synonyms: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)[N+](=O)[O-])/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK528068
Synonyms: 4H,8H-benzo[1,2-c:4,5-c']bis[1,2,5]oxadiazole-4,8-dione
Smiles: O=C1c2nonc2C(=O)c2c1non2

STK528071
Synonyms: 7-[(2E)-but-2-en-1-yl]-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C=C/Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCNCC1

STK528078
Synonyms: (2E)-3-[(4-bromophenyl)amino]-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Br)/c1scc(n1)c1cccc(c1)Br

STK834158
Synonyms: 1-(3,6-dibromo-9H-carbazol-9-yl)-3-[(4-ethoxyphenyl)amino]propan-2-ol
Smiles: CCOc1ccc(cc1)NCC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)O

STK528080
Synonyms: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1)C)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK834159
Synonyms: 3-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1,3-benzoxazol-2(3H)-one
Smiles: O=c1oc2c(n1CSC1=NCCS1)cccc2

STK834161
Synonyms: (2E)-3-[(2-methoxyphenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1OC)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK528084
Synonyms: benzo[1,2-d:3,4-d']bis[1,2,3]triazole-1,6-diol
Smiles: On1nnc2c1ccc1c2n(O)nn1

STK528086
Synonyms: 1,2,5-trimethyl-4-phenylpiperidin-4-ylbenzoate
Smiles: CC1CC(OC(=O)c2ccccc2)(C(CN1C)C)c1ccccc1

STK528089
Synonyms: 5-[bis(2,6-dioxo-4-phenylcyclohexyl)methyl]-2-methoxybenzylacetate
Smiles: COc1ccc(cc1COC(=O)C)C(C1C(=O)CC(CC1=O)c1ccccc1)C1C(=O)CC(CC1=O)c1ccccc1

STK528090
Synonyms: N-(2-chlorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
Smiles: COc1nc(nc(n1)OC)Nc1ccccc1Cl

STK528094
Synonyms: 1,1-dioxido-2,3-dihydrothiophen-3-ylhexylsulfoxide
Smiles: CCCCCCS(=O)C1C=CS(=O)(=O)C1

STK528098
Synonyms: 8-methyl-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cccc(c1)C(F)(F)F

STK528099
Synonyms: (2E)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1c(C)cc(cc1C)C)/c1scc(n1)c1cc2ccccc2oc1=O

STK528100
Synonyms: methyl3-methyl-6-(morpholin-4-yl)-1-phenyl-4-(trifluoromethyl)-1,4-dihydropyrazolo[4,3-e][1,3]oxazine-4-carboxylate
Smiles: COC(=O)C1(N=C(Oc2c1c(C)nn2c1ccccc1)N1CCOCC1)C(F)(F)F

STK834167
Synonyms: 2,2'-(1,2,4-thiadiazole-3,5-diyldisulfanediyl)bis[N-(3-chlorophenyl)acetamide]
Smiles: O=C(Nc1cccc(c1)Cl)CSc1snc(n1)SCC(=O)Nc1cccc(c1)Cl

STK528102
Synonyms: (2E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Cl)/c1scc(n1)c1cccc(c1)Br

STK528103
Synonyms: 2-(5'-formyl-2,2'-bithiophen-5-yl)quinoline-4-carboxylicacid
Smiles: O=Cc1ccc(s1)c1ccc(s1)c1nc2ccccc2c(c1)C(=O)O

STK834170
Synonyms: 2,2,3,3,4,4,4-heptafluoro-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)butanamide
Smiles: O=C(C(C(C(F)(F)F)(F)F)(F)F)Nc1ccc2c(c1)C(=O)N(C2=O)C

STK528106
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(=O)[nH]c2c(c1O)cccc2)NCc1ccc2c(c1)OCO2

STK528107
Synonyms: methyl3-({[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1C)C)cc(cc2)C

STK528108
Synonyms: (2Z)-3-[(2,5-dichlorophenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)ccc1Cl)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK528110
Synonyms: 4-[4-(diphenylmethyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Smiles: c1ccc(cc1)C(c1ccccc1)N1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1

STK834173
Synonyms: (2E)-3-[(3-chloro-4-methylphenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)C)/c1scc(n1)c1ccc(c(c1)OC)OC

STK834174
Synonyms: 7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCC1)COC(C)C

STK528112
Synonyms: N-dodecyl-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: CCCCCCCCCCCCNC(=O)c1cn(CC)c2c(c1=O)cc(c(c2)N1CCN(CC1)C)F

STK528113
Synonyms: 2-(dimethylamino)-3-[methyl(nitroso)amino]naphthalene-1,4-dione
Smiles: O=NN(C1=C(N(C)C)C(=O)c2c(C1=O)cccc2)C

STK528116
Synonyms: N-[1-(2-methylbenzyl)-1H-benzimidazol-2-yl]acetamide
Smiles: CC(=O)Nc1nc2c(n1Cc1ccccc1C)cccc2

STK528118
Synonyms: N-{2-[(3-bromophenyl)(5-methylfuran-2-yl)methyl]-4,5-dimethoxyphenyl}acetamide
Smiles: COc1cc(NC(=O)C)c(cc1OC)C(c1ccc(o1)C)c1cccc(c1)Br

STK528119
Synonyms: 3-(diethylamino)propyldiphenylacetate
Smiles: CCN(CCCOC(=O)C(c1ccccc1)c1ccccc1)CC

STK834176
Synonyms: (2E)-3-[(2-ethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCOc1ccccc1N/C=C(/c1scc(n1)c1ccc(cc1)[N+](=O)[O-])\C#N

STK528122
Synonyms: methyl3-[(azepan-1-ylacetyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCCCCC1)cccc2

STK528126
Synonyms: 1-(diphenylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperazine
Smiles: Fc1ccc(cc1)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1

STK834179
Synonyms: 3-benzyl-7-{[(2Z)-2-(hydroxyimino)-2-(4-methylphenyl)ethyl]oxy}-4,8-dimethyl-2H-chromen-2-one
Smiles: O/N=C(/c1ccc(cc1)C)\COc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1

STK834180
Synonyms: 4-hydroxy-N-(3-iodophenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: Ic1cccc(c1)NC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK834181
Synonyms: N-[4-({(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)phenyl]acetamide
Smiles: N#C/C(=C\Nc1ccc(cc1)NC(=O)C)/c1scc(n1)c1ccc2c(c1)OCO2

STK834182
Synonyms: 2-(2,2-dimethyltetrahydro-2H-thiopyran-4-yl)-4-(4-methoxyphenyl)-1,3-thiazole
Smiles: COc1ccc(cc1)c1csc(n1)C1CCSC(C1)(C)C

STK528133
Synonyms: 7-benzyl-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)c1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C

STK528134
Synonyms: 5-[2-ethoxy-5-(piperidin-1-ylsulfonyl)phenyl]-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCCCC1)C

STK834185
Synonyms: (5E)-5-(furan-2-ylmethylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccco2)/C1=O

STK834186
Synonyms: (2E)-3-[(2-ethoxyphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCOc1ccccc1N/C=C(/c1scc(n1)c1ccc(cc1)F)\C#N

STK834187
Synonyms: dimethyl{[(2,5-dimethylphenyl)amino](phenyl)methyl}phosphonate
Smiles: COP(=O)(C(c1ccccc1)Nc1cc(C)ccc1C)OC

STK528141
Synonyms: N-cyclohexyl-2-(2,4-dichlorophenyl)quinazolin-4-amine
Smiles: Clc1ccc(c(c1)Cl)c1nc(NC2CCCCC2)c2c(n1)cccc2

STK834192
Synonyms: 3-[(2-chlorophenyl)carbonyl]-2-methyl-4H-chromen-4-one
Smiles: Clc1ccccc1C(=O)c1c(C)oc2c(c1=O)cccc2

STK528143
Synonyms: 4-{[(4E)-1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-oxopent-4-en-1-yl]amino}benzoicacid
Smiles: COc1ccc(cc1)/C=C/C(=O)CC(c1ccc(cc1)Cl)Nc1ccc(cc1)C(=O)O

STK528145
Synonyms: (2Z)-3-[(2,3-dimethylphenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1C)C)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK834195
Synonyms: ethyl6-hydroxy-7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole-8-carboxylate3-oxide
Smiles: CCOC(=O)c1c(C)n(c2c1c1no[n+](c1cc2)[O-])O

STK528147
Synonyms: (2E)-1-(2,4-dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
Smiles: COc1ccc(c(c1)OC)C(=O)/C=C/c1ccc(cc1)N(C)C

STK528148
Synonyms: (2Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-fluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)F)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK834196
Synonyms: [3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl](4-chlorophenyl)methanone
Smiles: Clc1ccc(cc1)C(=O)c1sc2c(c1N)c(c1ccc(o1)C)c1c(n2)CCCC1

STK528149
Synonyms: 2-hydroxy-N'-[(E)-(3-phenyl-1H-pyrazol-4-yl)methylidene]benzohydrazide
Smiles: O=C(c1ccccc1O)N/N=C/c1c[nH]nc1c1ccccc1

STK528150
Synonyms: 1-cyclohexyl-3-[(1S,2R)-2-phenylcyclopropyl]urea
Smiles: O=C(NC1CCCCC1)N[C@H]1C[C@@H]1c1ccccc1

STK528151
Synonyms: (2E)-3-[(3-chloro-4-methylphenyl)amino]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)C)/c1scc(n1)c1ccc(cc1)OC

STK528161
Synonyms: 8-(ethylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCCn1c(SCC)nc2c1c(=O)[nH]c(=O)n2C

STK528162
Synonyms: (2Z)-3-(4-bromophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(cc1)Br)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK528163
Synonyms: N-[2-(dimethylamino)ethyl]-N'-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]ethanediamide
Smiles: CN(CCNC(=O)C(=O)Nc1scc(n1)C12CC3CC(C2)CC(C1)C3)C

STK528165
Synonyms: 2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1)F)NNc1nc2c([nH]1)cccc2

STK528167
Synonyms: 4,6-dimethyl-5-(morpholin-4-ylcarbonyl)-2H-pyran-2-one
Smiles: O=c1cc(C)c(c(o1)C)C(=O)N1CCOCC1

STK528169
Synonyms: 3-({7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoicacid
Smiles: OC(Cn1c(SCCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

STK528171
Synonyms: bis(2-ethoxyethyl)9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate
Smiles: CCOCCOC(=O)C1C(C(=O)OCCOCC)C2c3c(C1c1c2cccc1)cccc3

STK834202
Synonyms: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)C(F)(F)F)/c1scc(n1)c1ccc2c(c1)OCO2

STK528174
Synonyms: [(2E)-2-{(2Z)-[1-(4-butoxyphenyl)ethylidene]hydrazinylidene}-4-oxo-1,3-thiazolidin-5-yl]aceticacid
Smiles: CCCCOc1ccc(cc1)/C(=N\N=C\1/NC(=O)C(S1)CC(=O)O)/C

STK834203
Synonyms: 2-(4-methylphenyl)-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CCOCC1)c1ccc(cc1)C

STK528178
Synonyms: methyl3-({[3-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)CC(=O)Nc1c([nH]c2c1cccc2)C(=O)OC

STK834205
Synonyms: 7-phenyl-4,5-dihydro-6H-imidazo[4,5-e][2,1,3]benzoxadiazol-6-ol
Smiles: On1c(nc2c1CCc1c2non1)c1ccccc1

STK834207
Synonyms: N'-(2-hydroxy-2-propylpentanoyl)-5-methyl-N-phenylthiophene-3-carbohydrazide
Smiles: CCCC(C(=O)NN(C(=O)c1csc(c1)C)c1ccccc1)(CCC)O

STK528180
Synonyms: 4-{[(1E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
Smiles: COc1ccc(c(c1)OC)C(=O)/C=C/Nc1ccc(cc1)S(=O)(=O)Nc1cc(OC)nc(n1)OC

STK528187
Synonyms: (2E)-3-[(2-chlorophenyl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1Cl)/c1scc(n1)c1ccccc1

STK528188
Synonyms: (2Z)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)prop-2-enenitrile
Smiles: COc1cccc(c1)/C=C(\c1scc(n1)c1ccc(c(c1)OC)OC)/C#N

STK528189
Synonyms: 1-(2-methoxyphenyl)-4-[4-(naphthalen-1-yloxy)butyl]piperazine
Smiles: COc1ccccc1N1CCN(CC1)CCCCOc1cccc2c1cccc2

STK834210
Synonyms: 8-(butylsulfanyl)-3-methyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCSc1nc2c(n1C(C)C)c(=O)[nH]c(=O)n2C

STK528192
Synonyms: 8-bromo-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C=C/Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C

STK834213
Synonyms: 1-(3,6-dibromo-9H-carbazol-9-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)Cn1nc(cc1C)C

STK528195
Synonyms: (2E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(3,4-dimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK834214
Synonyms: (2E)-3-[(2-iodophenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1I)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK834215
Synonyms: N-[(1E)-3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Smiles: COc1ccccc1/C=C(\C(=O)NCCc1c[nH]c2c1cccc2)/NC(=O)c1ccccc1

STK834216
Synonyms: (2E)-3-[(3,5-dimethylphenyl)amino]-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1cc(C)cc(c1)C)/C#N

STK528196
Synonyms: 6,7-dimethoxy-3-(quinolin-6-ylamino)-2-benzofuran-1(3H)-one
Smiles: COc1ccc2c(c1OC)C(=O)OC2Nc1ccc2c(c1)cccn2

STK528198
Synonyms: 3-(1-methyl-5-oxo-2-thioxoimidazolidin-4-yl)propanoicacid
Smiles: CN1C(=O)C(NC1=S)CCC(=O)O

STK528199
Synonyms: 4-({3-[(3-methylbutyl)amino]-3-oxopropanoyl}amino)benzoicacid
Smiles: CC(CCNC(=O)CC(=O)Nc1ccc(cc1)C(=O)O)C

STK528204
Synonyms: N-({2-[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]hydrazinyl}carbonothioyl)-3-methylbenzamide
Smiles: N#C/C(=C\c1ccc(cc1)OC)/C(=O)NNC(=S)NC(=O)c1cccc(c1)C

STK834219
Synonyms: N-(pyridin-2-ylmethyl)-N'-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]ethanediamide
Smiles: O=C(C(=O)Nc1scc(n1)C12CC3CC(C2)CC(C1)C3)NCc1ccccn1

STK528205
Synonyms: N-[2-(diethylamino)ethyl]-N'-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]ethanediamide
Smiles: CCN(CCNC(=O)C(=O)Nc1scc(n1)C12CC3CC(C2)CC(C1)C3)CC

STK528206
Synonyms: 6-{2-[(3-bromobenzyl)amino]phenoxy}-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Smiles: Brc1cccc(c1)CNc1ccccc1Oc1cc(=O)n(c(=O)n1C)C

STK834223
Synonyms: 1-ethyl-N-(2-fluorophenyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCn1c(=O)c(C(=O)Nc2ccccc2F)c(c2c1cccc2)O

STK528214
Synonyms: 2-[(Z)-{[(1E)-1-(hydroxyimino)-2-methylpropan-2-yl](oxido)-lambda~5~-azanylidene}methyl]-4,5-dimethyl-1H-imidazol-1-ol
Smiles: O/N=C/C(/[N+](=C/c1nc(c(n1O)C)C)/[O-])(C)C

STK528221
Synonyms: (2E)-3-(3,5-dibromo-2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
Smiles: Cc1ccc(o1)C(=O)/C=C/c1cc(Br)cc(c1O)Br

STK528222
Synonyms: methyl4-{[(4-chlorophenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(c1c(=O)n(n(c1C)C)c1ccccc1)c1ccc(cc1)Cl

STK834227
Synonyms: N-(3,4-difluorophenyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(=O)[nH]c2c(c1O)cccc2)Nc1ccc(c(c1)F)F

STK528227
Synonyms: (2Z)-3-[(4-fluorophenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)F)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK834231
Synonyms: (2Z)-3-(3-bromophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1cccc(c1)Br)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK528234
Synonyms: 5-[(E)-(2-carbamoylhydrazinylidene)methyl]-2-oxo-4-(pyridinium-1-yl)-1,3-thiazol-3-ide
Smiles: NC(=O)N/N=C/c1sc(=O)[n-]c1[n+]1ccccc1

STK834235
Synonyms: (2E)-3-[(4-methoxyphenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)OC)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK528237
Synonyms: 4-ethoxy-N-(2-hydroxyethyl)-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide
Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)NCCO)C

STK834238
Synonyms: 8-(benzylamino)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK528241
Synonyms: (2E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)C)/c1scc(n1)c1cccc(c1)Br

STK528244
Synonyms: (2Z)-3-(4-methoxy-3-nitrophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])OC)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK834242
Synonyms: 6',7'-dihydro-4,4'-bi-2,1,3-benzoxadiazol-7-amine
Smiles: Nc1ccc(c2c1non2)C1=CCCc2c1non2

STK834243
Synonyms: (2E)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)amino]prop-2-enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1cccc(c1)F)/C#N

STK528246
Synonyms: diethyl{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino}propanedioate
Smiles: CCOC(=O)C(N(c1nc(nc(n1)N(C)C)N(C)C)C#N)C(=O)OCC

STK528249
Synonyms: 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine
Smiles: N#C/N=C(\NCCSCc1nc[nH]c1C)/NC

STK834246
Synonyms: (2E)-3-[(4-bromophenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Br)/c1scc(n1)c1ccc(c(c1)OC)OC

STK528250
Synonyms: (2Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(2,5-dimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(C)ccc1C)/c1scc(n1)c1ccc(cc1)Br

STK528251
Synonyms: ethyl3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-fluoro-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)Cc1ccc3c(c1)OCO3)cc(cc2)F

STK528252
Synonyms: (2E)-3-[(4-ethoxyphenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCOc1ccc(cc1)N/C=C(/c1scc(n1)c1cccc(c1)[N+](=O)[O-])\C#N

STK834247
Synonyms: 3-(2-hydroxyphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4,5-dihydro-1,2-oxazol-5-ol
Smiles: FC(C(C1(O)ON=C(C1)c1ccccc1O)(F)F)F

STK528253
Synonyms: ethyl6,7-dimethyl-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate
Smiles: CCOC(=O)C1(NC(=Nc2c1cc(C)c(c2)C)C(F)(F)F)C(F)(F)F

STK528254
Synonyms: bis[2-(morpholin-4-yl)ethyl]nonanedioate
Smiles: O=C(OCCN1CCOCC1)CCCCCCCC(=O)OCCN1CCOCC1

STK528260
Synonyms: 2-ethyl-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCc1nc2c3ccccc3CC3(c2c(=O)n1C)CCCCC3

STK834249
Synonyms: (2Z)-3-(4-butoxyphenyl)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCCCOc1ccc(cc1)/C=C(\c1scc(n1)c1ccc(cc1Cl)Cl)/C#N

STK528263
Synonyms: 6a-(morpholin-4-yl)-4,5,6a,7,8,9,10,10a-octahydro-10bH-[1,2,5]oxadiazolo[3,4-c]carbazol-10b-ol6-oxide
Smiles: [O-][N+]1=C2CCc3c(C2(C2C1(CCCC2)N1CCOCC1)O)non3

STK834251
Synonyms: (2E)-3-[(4-methylphenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)C)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK834253
Synonyms: (2Z)-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-3-(phenylamino)prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccccc1)/c1scc(n1)c1ccc(cc1)CC(C)C

STK528268
Synonyms: 4-{[(dipropoxyphosphoryl)(phenyl)methyl]amino}benzoicacid
Smiles: CCCOP(=O)(C(c1ccccc1)Nc1ccc(cc1)C(=O)O)OCCC

STK528272
Synonyms: 6-amino-3-methyl-4-(2-methylpropyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1CC(C)C)c(C)n[nH]2

STK528278
Synonyms: 7-(3-bromobenzyl)-8-[(2-hydroxyethyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCSc1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=O)n2C

STK834259
Synonyms: (2Z)-3-[(3,5-dichlorophenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)cc(c1)Cl)/c1scc(n1)c1ccc(c(c1)OC)OC

STK528281
Synonyms: 2-methoxy-4-{(E)-[2-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)hydrazinylidene]methyl}phenol
Smiles: COc1cc(/C=N/Nc2nc3ccccc3n3c2nnc3)ccc1O

STK834262
Synonyms: 8-{(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl}-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(N/N=C(/c2ccccc2O)\C)nc2c1c(=O)[nH]c(=O)n2C

STK528284
Synonyms: {[3-methyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}aceticacid
Smiles: OC(=O)CSc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]c(=O)n2C

STK834264
Synonyms: ethyl4-{[(E)-(4-nitrophenyl)methylidene]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=C/c1ccc(cc1)[N+](=O)[O-]

STK834265
Synonyms: 3-chloro-6-nitro-9H-carbazole
Smiles: Clc1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-]

STK528288
Synonyms: 3-(hexylsulfanyl)-2,3-dihydrothiophene1,1-dioxide
Smiles: CCCCCCSC1C=CS(=O)(=O)C1

STK528290
Synonyms: (2Z)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(2,4-dichlorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1Cl)Cl)/c1scc(n1)c1cccc(c1)Br

STK834267
Synonyms: 1-(5-methyl-1,2-oxazol-3-yl)-3-naphthalen-1-ylurea
Smiles: O=C(Nc1cccc2c1cccc2)Nc1noc(c1)C

STK834268
Synonyms: 2-[3-(3,6-dibromo-9H-carbazol-9-yl)-2-hydroxypropyl]-1H-isoindole-1,3(2H)-dione
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CN1C(=O)c2c(C1=O)cccc2

STK528291
Synonyms: 1-methyl[1]benzothieno[2,3-c]pyridin-3-ol
Smiles: Oc1nc(C)c2c(c1)c1ccccc1s2

STK528297
Synonyms: ethyl1-(4-butoxyphenyl)-2,4,5-trimethyl-1H-pyrrole-3-carboxylate
Smiles: CCCCOc1ccc(cc1)n1c(C)c(c(c1C)C(=O)OCC)C

STK528300
Synonyms: 2-(2,4-dichlorophenyl)-4-(pyrrolidin-1-yl)quinazoline
Smiles: Clc1ccc(c(c1)Cl)c1nc2ccccc2c(n1)N1CCCC1

STK528305
Synonyms: decyl(2E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate
Smiles: CCCCCCCCCCOC(=O)/C(=C/c1ccc(o1)c1ccccc1)/C#N

STK528307
Synonyms: 3-(cyanomethyl)-2,2-dimethylcyclopropanecarbonitrile
Smiles: N#CCC1C(C1(C)C)C#N

STK528308
Synonyms: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCSc1nc2c(n1CC(COc1ccccc1)O)c(=O)[nH]c(=O)n2C

STK528311
Synonyms: 5-{1-[(4-chlorophenyl)amino]ethylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CC(=C1C(=O)NC(=O)NC1=O)Nc1ccc(cc1)Cl

STK834281
Synonyms: 2-[(7-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Smiles: CCCCn1c(SCC(=O)N)nc2c1c(=O)[nH]c(=O)n2C

STK528314
Synonyms: 2-{[3-(methylamino)-3-oxopropanoyl]amino}benzoicacid
Smiles: CNC(=O)CC(=O)Nc1ccccc1C(=O)O

STK528318
Synonyms: methyl{[6-amino-3,5-dicyano-4-(propan-2-yl)pyridin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc(N)c(c(c1C#N)C(C)C)C#N

STK834284
Synonyms: 3,5-diphenyl-1H-pyrazol-4-amine
Smiles: Nc1c([nH]nc1c1ccccc1)c1ccccc1

STK528322
Synonyms: 7-ethyl-8-{4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)CC(=O)c1c[nH]c2c1cccc2

STK834285
Synonyms: (5E)-1-[2-(4-fluorophenyl)ethyl]-5-(1H-pyrrol-2-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Fc1ccc(cc1)CCN1C(=O)NC(=O)/C(=C\c2[nH]ccc2)/C1=O

STK834286
Synonyms: 6-(benzylsulfanyl)-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCc2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK528324
Synonyms: 2-{[(4R)-4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl]amino}butanoicacid
Smiles: CCC(C(=O)O)NC1CS(=O)(=O)C[C@@H]1O

STK834287
Synonyms: 2-(6-methoxypyrimidin-4-yl)phenol
Smiles: COc1ncnc(c1)c1ccccc1O

STK834289
Synonyms: N-[4-({(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)phenyl]acetamide
Smiles: N#C/C(=C\Nc1ccc(cc1)NC(=O)C)/c1scc(n1)c1cccc(c1)Br

STK528326
Synonyms: (2Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(2-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccccc1C)/c1scc(n1)c1ccc(cc1Cl)Cl

STK528328
Synonyms: 2-(4-methylphenyl)-1-[3-(pyrrolidin-1-yl)propyl]-1H-imidazo[1,2-a]benzimidazole
Smiles: Cc1ccc(cc1)c1cn2c(n1CCCN1CCCC1)nc1c2cccc1

STK528330
Synonyms: (2E)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-3-{[4-(propan-2-yl)phenyl]amino}prop-2-enenitrile
Smiles: CC(c1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)c1ccccc1)\C#N)C

STK528336
Synonyms: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2,3-dimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1C)C)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK834291
Synonyms: (2Z)-3-[(2,5-dimethoxyphenyl)amino]-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(OC)ccc1OC)/c1scc(n1)c1ccc(cc1C)C

STK834292
Synonyms: 1,3,4-trimethyl-3a,6a-diphenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
Smiles: O=C1NC2(C(N1C)(c1ccccc1)N(C(=O)N2C)C)c1ccccc1

STK834293
Synonyms: (2Z)-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-[(3-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1)C)/c1scc(n1)c1ccc(c(c1)C)C

STK528339
Synonyms: 4-(4-cyclohexylpiperazin-1-yl)-8-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)C1CCCCC1

STK834294
Synonyms: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-bromophenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1ccccc1Br)/c1scc(n1)c1ccc2c(c1)OCO2

STK528340
Synonyms: (2E)-3-[(3-methoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: COc1cccc(c1)N/C=C(/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-])\C#N

STK834295
Synonyms: 1-(3,6-dibromo-9H-carbazol-9-yl)-3-[(3-methoxyphenyl)amino]propan-2-ol
Smiles: COc1cccc(c1)NCC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)O

STK528343
Synonyms: (2E)-3-[(3-chloro-4-methylphenyl)amino]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)C)/c1scc(n1)c1ccc(cc1)Cl

STK834299
Synonyms: 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione
Smiles: O=C1CCC2C(C1)C(=O)N(C2=O)Cc1ccccc1

STK528345
Synonyms: 2',2',7-trimethyl-2,3,3a,6-tetrahydro-4H-spiro[1-benzothiophene-5,5'-[1,3]dioxane]-4',6'-dione1,1-dioxide
Smiles: CC1=C2C(CC3(C1)C(=O)OC(OC3=O)(C)C)CCS2(=O)=O

STK528348
Synonyms: N-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(C)cc(=O)oc1C

STK834303
Synonyms: 5-tert-butyl-2-(2-methylprop-2-en-1-yl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC(=C)CN1N=C(CC1=O)C(C)(C)C

STK834304
Synonyms: 3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1cnc2c1c(=O)[nH]c(=O)n2C

STK528349
Synonyms: (2E)-3-[(3-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)[N+](=O)[O-])/c1scc(n1)c1cc2ccccc2oc1=O

STK528351
Synonyms: (1-methyl-5-oxo-2-thioxoimidazolidin-4-yl)aceticacid
Smiles: CN1C(=O)C(NC1=S)CC(=O)O

STK834306
Synonyms: 6-(biphenyl-4-yloxy)-3-methyl[1,2,4]triazolo[4,3-b]pyridazine
Smiles: Cc1nnc2n1nc(cc2)Oc1ccc(cc1)c1ccccc1

STK528356
Synonyms: piperazine-1,4-diylbis{[2-(oxiran-2-ylmethoxy)phenyl]methanone}
Smiles: O=C(c1ccccc1OCC1CO1)N1CCN(CC1)C(=O)c1ccccc1OCC1CO1

STK528357
Synonyms: (2E)-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-[(4-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)[N+](=O)[O-])/c1scc(n1)c1ccc(c(c1)C)C

STK528360
Synonyms: 4-(4-benzylpiperazin-1-yl)-8-methyl-5H-pyrimido[5,4-b]indole
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)Cc1ccccc1

STK528361
Synonyms: (2E)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-nitrophenyl)amino]prop-2-enenitrile
Smiles: CCc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccc(cc1)[N+](=O)[O-])/C#N

STK834315
Synonyms: 1-ethyl-6,7-dimethoxy-3-methylisoquinoline-4-carbonitrile
Smiles: COc1cc2c(cc1OC)c(CC)nc(c2C#N)C

STK834317
Synonyms: 2-({7-[(2E)-but-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-phenylacetamide
Smiles: C/C=C/Cn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK528367
Synonyms: 3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: Clc1ccccc1/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cccc1

STK528368
Synonyms: 3-[2-(piperidin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: O=c1n(CCN2CCCCC2)cnc2c1[nH]c1c2cccc1

STK834319
Synonyms: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2-methyl-4-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C)[N+](=O)[O-])/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK834321
Synonyms: 2-{3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione
Smiles: O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)CCN1C(=O)c2c(C1=O)cccc2

STK834322
Synonyms: (5E)-1-tert-butyl-5-(1H-pyrrol-2-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C/c1[nH]ccc1)C(C)(C)C

STK528376
Synonyms: {[(2E)-3-(4-fluorophenyl)-2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}prop-2-enoyl]amino}(phenyl)aceticacid
Smiles: COc1c(OC)cc(cc1OC)C(=O)N/C(=C/c1ccc(cc1)F)/C(=O)NC(c1ccccc1)C(=O)O

STK834323
Synonyms: 2-(4-chlorophenyl)-4-(piperidin-1-yl)quinazoline
Smiles: Clc1ccc(cc1)c1nc(N2CCCCC2)c2c(n1)cccc2

STK528377
Synonyms: (2Z)-3-[(2,5-dichlorophenyl)amino]-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)ccc1Cl)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

STK528387
Synonyms: (2Z)-3-[(3-chloro-4-methylphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)Cl)C)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK528389
Synonyms: methyl11-(diethylamino)-10-hydroxyundecanoate
Smiles: CCN(CC(CCCCCCCCC(=O)OC)O)CC

STK834335
Synonyms: 8-(ethylsulfanyl)-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCSc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C

STK528391
Synonyms: (5E)-1-(4-methoxyphenyl)-5-[(2E)-3-phenylprop-2-en-1-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)N1C(=O)NC(=O)/C(=C\C=C\c2ccccc2)/C1=O

STK834339
Synonyms: (2Z)-3-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(OC)c(cc1OC)Cl)/c1scc(n1)c1ccc(c(c1)C)C

STK528393
Synonyms: 3,3'-[hexane-1,6-diylbis(oxybenzene-4,1-diyl)]dipyrrolidine-2,5-dione
Smiles: O=C1NC(=O)CC1c1ccc(cc1)OCCCCCCOc1ccc(cc1)C1CC(=O)NC1=O

STK528399
Synonyms: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)C)/c1scc(n1)c1ccc2c(c1)OCO2

STK528400
Synonyms: 3-methyl-8-nitro-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)[N+](=O)[O-]

STK528404
Synonyms: N-(4-methoxyphenyl)-1-methyl-1H-[1,2,3]triazolo[4,5-c]pyridin-4-amine
Smiles: COc1ccc(cc1)Nc1nccc2c1nnn2C

STK528406
Synonyms: ethyl2-({7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate
Smiles: CCOC(=O)C(Sc1nc2c(n1C/C=C(\Cl)/C)c(=O)[nH]c(=O)n2C)CC

STK528410
Synonyms: (2Z)-3-[(3,5-dimethylphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(C)cc(c1)C)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK528414
Synonyms: N-hydroxy-2,5-dimethylpiperidin-4-imine
Smiles: O/N=C\1/CC(C)NCC1C

STK528418
Synonyms: (2Z)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-3-[(2,3-dimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1C)C)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK834350
Synonyms: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CSc1nc2c(n1CC(COc1ccccc1C)O)c(=O)[nH]c(=O)n2C

STK834353
Synonyms: (2E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-{[2-(propan-2-yl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1C(C)C)/c1scc(n1)c1ccc(cc1)OC

STK834354
Synonyms: 8-(ethylsulfanyl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCSc1nc2c(n1CC(COc1ccccc1)O)c(=O)[nH]c(=O)n2C

STK528420
Synonyms: (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C)[N+](=O)[O-])/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK834355
Synonyms: 2,2-dimethyl-5-nitro-2H-benzimidazole1,3-dioxide
Smiles: [O-][N+](=O)c1ccc2=[N+](C([N+](=c2c1)[O-])(C)C)[O-]

STK834356
Synonyms: (2Z)-3-[(3,5-dimethylphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(C)cc(c1)C)/c1scc(n1)c1cc2ccccc2oc1=O

STK834357
Synonyms: (2E)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)amino]prop-2-enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1c(C)cc(cc1C)C)/C#N

STK528425
Synonyms: (2E)-3-[(2-chlorophenyl)amino]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1Cl)/c1scc(n1)c1ccc(cc1)OC

STK528431
Synonyms: ethyl1,3-dioxo-3,3a,7,7a-tetrahydro-4,7-ethano-2-benzofuran-4(1H)-carboxylate
Smiles: CCOC(=O)C12CCC(C=C1)C1C2C(=O)OC1=O

STK528433
Synonyms: (2E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1c(C)cc(cc1C)C)/c1scc(n1)c1ccc(cc1)OC

STK528434
Synonyms: 1,6-bis(4-ethoxyphenyl)hexane-1,6-diol
Smiles: CCOc1ccc(cc1)C(CCCCC(c1ccc(cc1)OCC)O)O

STK528435
Synonyms: (2Z)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(3-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1)C)/c1scc(n1)c1ccc(cc1)OC

STK528438
Synonyms: ethyl4-{[2-(dimethylamino)ethyl]amino}-2-oxo-1,2-dihydroquinoline-3-carboxylate
Smiles: CCOC(=O)c1c(=O)[nH]c2c(c1NCCN(C)C)cccc2

STK528439
Synonyms: N-benzyl-1-methyl-4-nitro-1H-imidazol-5-amine
Smiles: Cn1cnc(c1NCc1ccccc1)[N+](=O)[O-]

STK528440
Synonyms: 1-{2-[2-(naphthalen-1-yloxy)ethoxy]ethyl}-4-[3-(trifluoromethyl)phenyl]piperazine
Smiles: FC(c1cccc(c1)N1CCN(CC1)CCOCCOc1cccc2c1cccc2)(F)F

STK528443
Synonyms:
Smiles: S=C(Nc1ccc(cc1)F)NNC(=O)C1[C@@H]2[C@H]1CCCC2

STK528445
Synonyms: 1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol
Smiles: OC(c1c[nH]c2c1cccc2)CN1CCN(CC1)c1ccccc1

STK834361
Synonyms: (2Z)-3-[(5-chloro-2-methoxyphenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)ccc1OC)/c1scc(n1)c1ccc(c(c1)OC)OC

STK528449
Synonyms: 1-ethyl-3-methyl[1]benzothieno[2,3-c]pyridine
Smiles: CCc1nc(C)cc2c1sc1c2cccc1

STK834363
Synonyms: methyl(1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate
Smiles: COC(=O)CC1(c2ccccc2)C(=O)c2c(C1=O)cccc2

STK528450
Synonyms: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-methoxyphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)OC)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK528459
Synonyms: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)ccc1OC)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK528461
Synonyms: (2Z)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-3-[(3,5-dichlorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)cc(c1)Cl)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK834372
Synonyms: 4-(4,5-diphenyl-1H-imidazol-2-yl)-N,N-dimethylaniline
Smiles: CN(c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1)C

STK834373
Synonyms: 8-(butan-2-ylsulfanyl)-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SC(CC)C)nc2c1c(=O)[nH]c(=O)n2C

STK834374
Synonyms: 4-({3-[butyl(dimethyl)ammonio]propanoyl}amino)-4-methyltetrahydrothiophene-3-sulfonate1,1-dioxide
Smiles: CCCC[N+](CCC(=O)NC1(C)CS(=O)(=O)CC1S(=O)(=O)[O-])(C)C

STK528468
Synonyms: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoicacid
Smiles: [O-][N+](=O)c1ccc(c2c1non2)Nc1ccccc1C(=O)O

STK834375
Synonyms: 1,7-dibenzyl-8-[(2-hydroxyethyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1

STK528469
Synonyms: (2E)-1-[2,4-bis(benzyloxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one
Smiles: COc1ccccc1/C=C/C(=O)c1ccc(cc1OCc1ccccc1)OCc1ccccc1

STK528472
Synonyms: diethyl{cyano[4-(dimethylamino)-6-(methylsulfanyl)-1,3,5-triazin-2-yl]amino}propanedioate
Smiles: CCOC(=O)C(N(c1nc(SC)nc(n1)N(C)C)C#N)C(=O)OCC