FULL DB

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

STK568116
Synonyms: (5Z)-2,6-dihydroxy-5-[(1-propyl-1H-indol-3-yl)methylidene]pyrimidin-4(5H)-one
Smiles: CCCn1cc(c2c1cccc2)/C=C\1/C(=NC(=NC1=O)O)O

STK568118
Synonyms: N-[(2E)-3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-nitrobenzamide
Smiles: CCCCCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK568119
Synonyms: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
Smiles: COc1ccc(cc1)N1CCN(CC1)c1nc2ccccn2c(=O)c1C=O

STK568121
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-bicyclo[2.2.1]hept-5-en-2-ylmethylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)N/N=C/C1CC2CC1C=C2

STK568135
Synonyms: 7-chloro-1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1cccc(c1)C1N(c2scnn2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK568137
Synonyms: (2Z)-3-(4-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1ccc(cc1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STK568144
Synonyms: N-(4-{[(1E)-1-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propylidene]amino}phenyl)acetamide
Smiles: CC/C(=N\c1ccc(cc1)NC(=O)C)/c1c(O)n(C)c(=O)n(c1=O)C

STK568152
Synonyms: N-[(3Z)-1-ethyl-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]tetrahydrofuran-2-carboxamide
Smiles: CCn1[nH]/c(=N\C(=O)C2CCCO2)/c2c1nc1ccc(cc1c2)C

STK568154
Synonyms: 3-[7-(2,4-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]naphthalen-2-ol
Smiles: Cc1ccc(c(c1)C)n1ncc2c1ncn1c2nc(n1)c1cc2ccccc2cc1O

STK568166
Synonyms: 2-[4-(4-bromo-2-chlorophenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: Brc1ccc(c(c1)Cl)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK568180
Synonyms: 2-phenyl-4-(4-phenylpiperazin-1-yl)[1]benzofuro[3,2-d]pyrimidine
Smiles: c1ccc(cc1)N1CCN(CC1)c1nc(nc2c1oc1c2cccc1)c1ccccc1

STK568185
Synonyms: 3-{[(E)-(5-tert-butyl-2-hydroxy-3-nitrophenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one
Smiles: [O-][N+](=O)c1cc(cc(c1O)/C=N/n1c(C)nc2c(c1=O)cccc2)C(C)(C)C

STK568188
Synonyms: 5-cyano-6-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)c1ccccc1

STK568192
Synonyms: 6-(4-bromophenyl)-3-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Brc1ccc(cc1)C1=Nn2c(SC1)nnc2c1[nH]nc2c1CCC2

STK568195
Synonyms: ethyl4-[(2-{(2,4-dichlorophenyl)[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindol-7-yl)carbonyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)C1C2C=CC3(C1C(=O)N(C3)C(c1nnnn1c1c(C)cccc1C)c1ccc(cc1Cl)Cl)O2

STK568197
Synonyms: N-[(2,3-dichlorophenyl)carbamoyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)Nc1cccc(c1Cl)Cl)C

STK847328
Synonyms: 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1nc(N)ncc1Oc1ccccc1OC

STK847330
Synonyms: 2-oxo-2-(thiophen-2-yl)ethyl2-oxo-1,2-dihydroquinoline-4-carboxylate
Smiles: O=C(c1cc(=O)[nH]c2c1cccc2)OCC(=O)c1cccs1

STK847331
Synonyms: 7-(2,5-dimethoxyphenyl)-2-hydroxy-9-(trifluoromethyl)thieno[2,3-b:4,5-b']dipyridin-4(1H)-one
Smiles: COc1ccc(cc1c1nc2sc3c(c2c(c1)C(F)(F)F)[nH]c(cc3=O)O)OC

STK568220
Synonyms: (2Z)-2-(2,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl4-nitrobenzoate
Smiles: COc1ccc(c(c1)OC)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK568222
Synonyms: methyl(5E)-2,2-dimethyl-4,6-dioxo-5-{1-[2-(phenanthridin-6-yl)hydrazinyl]dodecylidene}cyclohexanecarboxylate
Smiles: CCCCCCCCCCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NNc1nc2ccccc2c2c1cccc2

STK568223
Synonyms: (4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-6-[(2-methylpiperidin-1-yl)methyl]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: CC1CCCCN1Cc1nc(N)n/c(=N/c2ccc3c(c2)OCCO3)/[nH]1

STK568227
Synonyms: 6-hydroxy-5-(2-methoxybenzyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccccc1CC1C(=O)NC(=O)N=C1O

STK568231
Synonyms: 2-(3-methyl-4-phenyl-1H-pyrazol-5-yl)-5-[(4-nitrobenzyl)oxy]phenol
Smiles: Oc1cc(ccc1c1[nH]nc(c1c1ccccc1)C)OCc1ccc(cc1)[N+](=O)[O-]

STK568234
Synonyms: 2-{[(2E)-6-ethoxy-4-methylquinazolin-2(1H)-ylidene]amino}-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one
Smiles: CCOc1ccc2c(c1)c(C)n/c(=N/c1ncc3c(n1)CC(CC3=O)c1cccs1)/[nH]2

STK847333
Synonyms: (2E)-7-(furan-2-yl)-2-[(4-methoxyphenyl)imino]-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: COc1ccc(cc1)/N=c\1/ncc2c([nH]1)CC(CC2=O)c1ccco1

STK568256
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-[(1E)-1-(4-methoxy-3-nitrophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(c(c1)[N+](=O)[O-])OC)\C

STK568259
Synonyms: (2S)-2-amino-N'-[(E)-quinoxalin-6-ylmethylidene]propanehydrazide(non-preferredname)
Smiles: O=C([C@@H](N)C)N/N=C/c1ccc2c(c1)nccn2

STK568263
Synonyms: 6-amino-3-(propan-2-yl)-4-(pyridin-3-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccnc1)c([nH]n2)C(C)C

STK568264
Synonyms: N-[1-(4-chlorophenyl)-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-2-carboxamide
Smiles: Clc1ccc(cc1)n1c(=O)nc(c2c1NC(=O)C2(NC(=O)c1cccs1)C(F)(F)F)O

STK568266
Synonyms: ethyl(2Z)-10-methyl-5-oxo-1-[3-(propan-2-yloxy)propyl]-2-{[(3,4,5-triethoxyphenyl)carbonyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cc(OCC)c(c(c1)OCC)OCC)CCCOC(C)C)nc1n(c2=O)cccc1C

STK568269
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxycarbonyl)-6-ethyl-4-oxo-8-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]oct-6-yl)methyl]-4H-chromen-7-olate
Smiles: CCOC(=O)c1oc2c(C[NH+]3CC4(CC3CC(C4)(C)C)C)c([O-])c(cc2c(=O)c1c1ccc2c(c1)OCCO2)CC

STK847334
Synonyms: 3-[4-(methoxycarbonyl)phenoxy]-4-oxo-4H-chromen-7-ylmorpholine-4-carboxylate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)N1CCOCC1

STK568282
Synonyms: 5-[(2-fluorobenzyl)oxy]-2-(3-methyl-4-phenyl-1H-pyrazol-5-yl)phenol
Smiles: Fc1ccccc1COc1ccc(c(c1)O)c1[nH]nc(c1c1ccccc1)C

STK568287
Synonyms: 6-hydroxy-7-(2-hydroxyethyl)-3-methyl-8-(propylamino)-3,7-dihydro-2H-purin-2-one
Smiles: OCCn1c(NCCC)nc2c1c(O)nc(=O)n2C

STK847335
Synonyms: 3-(4-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: Clc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)O

STK568297
Synonyms: 4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc2c(c1/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1)cccc2

STK568305
Synonyms: (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(naphthalen-1-yl)prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1cccc2c1cccc2)/Sc1[nH]nc([nH+]1)C

STK568306
Synonyms: 3-methyl-N-[(2Z)-3-[(3-methylbutyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: CC(CCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc(c1)C)C

STK568308
Synonyms: (5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-6-hydroxy-3-(3-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cccc(c1)N1C(=O)N=C(/C(=C/NCc2ccc3c(c2)OCO3)/C1=O)O

STK568311
Synonyms: N-[1-benzyl-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclopropanecarboxamide
Smiles: O=C(C1CC1)NC1(C(=O)Nc2c1c(O)nc(=O)n2Cc1ccccc1)C(F)(F)F

STK847339
Synonyms: 7-ethoxy-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: CCOc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F

STK568317
Synonyms: 6-(4-benzylpiperidin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CC1CC(C)CN(C1)c1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK568318
Synonyms: N'-{(Z)-[1-(3,4-dimethylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}pyridine-4-carbohydrazide
Smiles: O=C1N=C(O)/C(=C/NNC(=O)c2ccncc2)/C(=O)N1c1ccc(c(c1)C)C

STK568327
Synonyms: 5-chloro-2-methoxy-N-[(4Z)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-ylidene]aniline
Smiles: COc1ccc(cc1/N=c/1\nc[nH]c2c1c1CCCCc1s2)Cl

STK847341
Synonyms: N-[(2Z)-3-[(3-methoxypropyl)amino]quinoxalin-2(1H)-ylidene]-2,4-dimethylbenzenesulfonamide
Smiles: COCCCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1C)C

STK568334
Synonyms: 1,3-benzodioxol-5-ol
Smiles: Oc1ccc2c(c1)OCO2

STK568336
Synonyms: 7-[(4-fluorobenzyl)oxy]-2-methyl-3-phenyl-4H-chromen-4-one
Smiles: Fc1ccc(cc1)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C

STK568345
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1cc(OC)ccc1OC)C

STK568358
Synonyms: 5-(2,6-dimethylmorpholin-4-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CC(C)OC(C1)C)c1ccco1

STK568360
Synonyms: 2-(3-methylpiperidin-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine
Smiles: CC1CCCN(C1)c1nc(N2CCCC2)c(c(n1)N)[N+](=O)[O-]

STK568367
Synonyms: {2-[(E)-{[3-(5-methyl-1H-pyrazol-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccccc1/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)C

STK568369
Synonyms: 3-(3-nitrophenyl)-3-[(phenylcarbonyl)amino]propanoicacid
Smiles: OC(=O)CC(c1cccc(c1)[N+](=O)[O-])NC(=O)c1ccccc1

STK568381
Synonyms: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2ccc(cc2)F)/s1)C

STK568384
Synonyms: 2-{[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Smiles: NCCc1nnc(o1)SCC(=O)N

STK568386
Synonyms: (5E)-5-{[1-(3-chloropropyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione
Smiles: ClCCCN1CCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1)O

STK568393
Synonyms: 2-(2-methoxyphenyl)-12-phenyl-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: COc1ccccc1c1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]

STK568395
Synonyms: 1-azabicyclo[2.2.2]oct-3-yl[4-(propan-2-yl)phenyl]methanone
Smiles: CC(c1ccc(cc1)C(=O)C1CN2CCC1CC2)C

STK847344
Synonyms: 8-[(dimethylammonio)methyl]-3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CCOc1ccccc1Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+](C)C)[O-]

STK568399
Synonyms: N~4~-(3-chlorophenyl)-N~2~-methyl-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
Smiles: Clc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(c1ccccc1)C

STK568401
Synonyms: (5E)-1-cyclopropyl-5-{[(4-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)C1CC1)S

STK568409
Synonyms: 2-({5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(2,3-dimethylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nnc(o1)[C@H](C(C)C)N

STK568412
Synonyms: 4-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STK568415
Synonyms: (1S)-1-{5-[(2,4-dichlorobenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}-2-methylpropan-1-amine
Smiles: CC([C@@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1Cl)Cl)N)C

STK568417
Synonyms: 2-({(2Z)-6-amino-2-[(3-methoxyphenyl)imino]-5-nitro-2,3-dihydropyrimidin-4-yl}amino)ethanol
Smiles: OCCNc1[nH]/c(=N/c2cccc(c2)OC)/nc(c1[N+](=O)[O-])N

STK568422
Synonyms: 2-({5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(2,6-dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STK568429
Synonyms: 4-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)/s1

STK847346
Synonyms: N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
Smiles: Cc1ccc2c(c1)oc(c2C)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)N(C)C

STK568440
Synonyms: (8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl4-fluorobenzoate
Smiles: Fc1ccc(cc1)C(=O)OCc1cc2cccc(c2[nH]c1=O)C

STK568444
Synonyms: 3-(2,4-dimethylphenyl)-6-hydroxy-1',6'-dimethyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O

STK568451
Synonyms: 10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ol
Smiles: CC1CCc2c(C1)c1c(s2)nc(n2c1ncn2)O

STK568456
Synonyms: 7-(3-chlorophenyl)-2-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1cccc(c1)n1ncc2c1ncn1c2nc(n1)CCc1ccccc1

STK568463
Synonyms: 3-{[(1E)-1-(4-hydroxy-2,6-dioxo-1-phenyl-1,6-dihydropyrimidin-5(2H)-ylidene)propyl]amino}benzoicacid
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)O)/Nc1cccc(c1)C(=O)O

STK568464
Synonyms: 4-[2-({(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}amino)ethyl]-N-methylpiperazine-1-carbothioamide
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCCN2CCN(CC2)C(=S)NC)/C)/C1=O)O

STK568466
Synonyms: 2-chloro-N-(2-methylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]acetamide
Smiles: ClCC(=O)N(c1ccccc1C)Cc1cc(=O)[nH]c2c1cccc2

STK568477
Synonyms: N-[(2Z)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(2-methoxyphenoxy)acetamide
Smiles: COc1ccccc1OCC(=O)/N=c\1/[nH]nc(s1)c1ccco1

STK568479
Synonyms: N-(propan-2-ylcarbamoyl)-L-phenylalanine
Smiles: CC(NC(=O)N[C@H](C(=O)O)Cc1ccccc1)C

STK568485
Synonyms: (2Z,4E)-2-(1H-benzimidazol-2-yl)-3-hydroxy-5-phenylpenta-2,4-dienenitrile
Smiles: N#C/C(=C(\C=C\c1ccccc1)/O)/c1nc2c([nH]1)cccc2

STK568487
Synonyms: 4-{4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: Cc1ccc(cc1)OCCN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STK568490
Synonyms: 4-{[(E)-(3,4-dichlorophenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Clc1ccc(cc1Cl)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STK568495
Synonyms: ethyl6-tert-butyl-2-({(E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N/C=C(/c2scc(n2)c2cccc(c2)[N+](=O)[O-])\C#N)sc2c1CCC(C2)C(C)(C)C

STK568516
Synonyms: (1S)-1-{5-[(3-methylbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine
Smiles: Cc1cccc(c1)CSc1nnc(o1)[C@H](Cc1ccccc1)N

STK568521
Synonyms: 2,6-bis(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CC1CC(C)CN(C1)c1nc(N)c(c(n1)N1CC(C)CC(C1)C)[N+](=O)[O-]

STK568533
Synonyms: N-{(2S)-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-1-oxobutan-2-yl}-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
Smiles: CC([C@@H](C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C

STK568537
Synonyms: 5-methoxy-2-(7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol
Smiles: COc1ccc(c(c1)O)c1nn2c(n1)c1cnn(c1nc2)c1ccccc1

STK568538
Synonyms: (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1ccc(o1)c1cccc(c1)C(F)(F)F)/Sc1[nH]nc([nH+]1)C

STK568539
Synonyms: 4-{[4-(3-chlorophenyl)piperazin-4-ium-1-yl]carbonothioyl}-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])C(=S)N1CC[NH+](CC1)c1cccc(c1)Cl

STK568541
Synonyms: 2-{4-[5-methyl-2-(propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate
Smiles: Cc1ccc(c(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])C(C)C

STK568548
Synonyms: 5-[(4-chlorobenzyl)oxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccccc1Oc1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1)Cl

STK568549
Synonyms: N-(biphenyl-4-yl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
Smiles: OC1=C(C(=O)Nc2ccc(cc2)c2ccccc2)c2n(CC1)c1c(n2)cccc1

STK568552
Synonyms: 3-(5-methyl-1H-pyrazol-3-yl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1[nH]nc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK568556
Synonyms: (2S)-2-amino-N'-[(E)-quinoxalin-5-ylmethylidene]propanehydrazide(non-preferredname)
Smiles: O=C([C@@H](N)C)N/N=C/c1cccc2c1nccn2

STK568560
Synonyms: 2-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
Smiles: NCCc1nnc(o1)SCc1ccccc1Cl

STK568579
Synonyms: (2Z)-2-[(4,6-dimethylpyrimidin-2-yl)imino]-6-hydroxy-3-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyrimidine-4-carboxylicacid
Smiles: OC(=O)C1CC(=N/C(=N\c2nc(C)cc(n2)C)/N1c1cccc(c1)C(F)(F)F)O

STK568600
Synonyms: (4E)-5-(2,3-dimethoxyphenyl)-4-[hydroxy(3-methoxyphenyl)methylidene]-1-(pyridin-2-yl)pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1OC)OC)c1ccccn1)/O

STK568615
Synonyms: N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxobutanamide
Smiles: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1

STK568620
Synonyms: (2E)-3-{4-[2-(4-chlorophenyl)-2-oxoethoxy]-3-methoxyphenyl}-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCC(=O)c1ccc(cc1)Cl)/c1scc(n1)c1cc2ccccc2oc1=O

STK568621
Synonyms: N-[(2-methoxybenzyl)carbamoyl]-L-leucine
Smiles: COc1ccccc1CNC(=O)N[C@H](C(=O)O)CC(C)C

STK568629
Synonyms: 3-{[(3,4-dimethoxyphenyl)sulfonyl]amino}-1H-indole-2-carboxylicacid
Smiles: COc1cc(ccc1OC)S(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)O

STK568633
Synonyms: (2E,5Z)-2-{[4-chloro-2-(trifluoromethyl)phenyl]imino}-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one
Smiles: COc1cc(ccc1O)/C=C/1\S/C(=N/c2ccc(cc2C(F)(F)F)Cl)/NC1=O

STK568635
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-L-alanine
Smiles: O=C(N[C@H](C(=O)O)C)Nc1ccc2c(c1)OCCO2

STK568640
Synonyms: methyl{(5Z)-5-[(phenylcarbonyl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetate
Smiles: COC(=O)Cc1n[nH]/c(=N/C(=O)c2ccccc2)/s1

STK568644
Synonyms: 3-[(tert-butylamino)methyl]-6-methylquinolin-2(1H)-one
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CNC(C)(C)C

STK847356
Synonyms: N-{(2E)-3-cyano-10-methyl-5-oxo-1-[3-(propan-2-yloxy)propyl]-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-])CCCOC(C)C)nc1n(c2=O)cccc1C

STK568652
Synonyms: 7-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccc(cc1)n1ncc2c1ncn1c2nnc1c1ccc(c(c1)Cl)Cl

STK568653
Synonyms: N-[(2E)-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-phenoxyacetamide
Smiles: COc1ccc(cc1)c1n[nH]/c(=N\C(=O)COc2ccccc2)/s1

STK847359
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-[(2-fluorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1ccccc1F)N

STK568659
Synonyms: 1-cyclohexyl-4-(2-methoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
Smiles: COc1ccccc1C1SCC(=Nc2c1c(O)nn2C1CCCCC1)O

STK568661
Synonyms: methyl[(2E)-5-(3-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Smiles: COc1cccc(c1)c1n[nH]/c(=N\C(=O)OC)/s1

STK568662
Synonyms: (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cccn2C(C)(C)C)/C1=O)O

STK847360
Synonyms: methyl4-[(5-{2-hydroxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)oxy]benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1cn[nH]c1c1ccc(cc1O)OCC(=C)C

STK847361
Synonyms: 2-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenol
Smiles: Oc1ccccc1/N=c\1/[nH]cnc2c1oc1c2cccc1

STK568682
Synonyms: 2-[4-(4-tert-butyl-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: Cc1cc(ccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])C(C)(C)C

STK568685
Synonyms: 4-{[(E)-(2,4-dihydroxyphenyl)methylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1ccc(c(c1)O)/C=N/n1c(=S)[nH]nc1c1[nH]nc2c1CCC2

STK568686
Synonyms: methyl[(2Z)-5-(4-chlorobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Smiles: COC(=O)/N=c\1/[nH]nc(s1)Cc1ccc(cc1)Cl

STK568694
Synonyms: (2E)-3-phenyl-N-[(2Z)-5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide
Smiles: O=C(/N=c\1/[nH]nc(s1)/C=C/c1ccccc1)/C=C/c1ccccc1

STK568702
Synonyms: 2-[4-(4-propoxyphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: CCCOc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK568709
Synonyms: 2-{4-[(4-chlorobenzyl)oxy]phenyl}-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CCOCC1)c1ccc(cc1)OCc1ccc(cc1)Cl

STK568716
Synonyms: N-[(2Z)-3-[(2-ethylphenyl)amino]quinoxalin-2(1H)-ylidene]-3,4-dimethylbenzenesulfonamide
Smiles: CCc1ccccc1Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(c(c1)C)C

STK568721
Synonyms: (2-{(Z)-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}phenoxy)aceticacid
Smiles: C=CCN1C(=O)N=C(/C(=C/c2ccccc2OCC(=O)O)/C1=O)O

STK568732
Synonyms: (3S,3a'R,8a'S,8b'S)-5-methoxy-2'-(2-methoxy-5-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: COc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1OC)[N+](=O)[O-]

STK568734
Synonyms: 2-({5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-bromophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STK568739
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCc1ccc(cc1)F)C

STK568743
Synonyms: N-(butan-2-yl)-2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: CCC(Nc1nc(nc2c1oc1c2cccc1)c1ccccc1)C

STK847368
Synonyms: ethyl4-[4-(4-methoxyphenyl)-3-methyl-6-oxo-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1c1ccc(cc1)OC)c([nH]n2)C

STK568746
Synonyms: 12-(3,4-dimethoxyphenyl)-2-[(4-methylphenoxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)COc1ccc(cc1)C)[O-]

STK568749
Synonyms: N-[(2E)-3-cyano-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-methyl-3-nitrobenzamide
Smiles: CCCn1/c(=N/C(=O)c2cccc(c2C)[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK568750
Synonyms: 2-[(2,6-dichlorobenzyl)sulfanyl]pyrimidin-4-ol
Smiles: Oc1ccnc(n1)SCc1c(Cl)cccc1Cl

STK568754
Synonyms: [(8-chloro[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]aceticacid
Smiles: OC(=O)CSc1ncnc2c1oc1c2cc(cc1)Cl

STK568755
Synonyms: N-(propylcarbamoyl)-L-phenylalanine
Smiles: CCCNC(=O)N[C@H](C(=O)O)Cc1ccccc1

STK568756
Synonyms: 4-methyl-N-[(2Z)-3-[(tetrahydrofuran-2-ylmethyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1NCC1CCCO1

STK568760
Synonyms: N-[(2Z)-3-[(3-chloro-4-fluorophenyl)amino]quinoxalin-2(1H)-ylidene]-3-methylbenzenesulfonamide
Smiles: Cc1cccc(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(c(c1)Cl)F

STK568761
Synonyms: N-butyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-2-carboxamide
Smiles: CCCCN(C(=O)c1ccccn1)Cc1cc2cc(C)ccc2[nH]c1=O

STK568763
Synonyms: 2-amino-10-hydroxy-4-methyl-11-(thiophen-2-yl)-7,8,9,11-tetrahydropyrido[2',3':4,5]thieno[2,3-b]quinoline-3-carbonitrile
Smiles: N#Cc1c(N)nc2c(c1C)sc1c2C(c2cccs2)C2=C(O)CCCC2=N1

STK568778
Synonyms: (E)-[2-(4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)Cc1ccc[nH+]c1)/[O-]

STK568784
Synonyms: (2-benzyl-1H-3,1-benzimidazol-3-ium-1-yl)acetate
Smiles: [O-]C(=O)Cn1c(Cc2ccccc2)[nH+]c2c1cccc2

STK568789
Synonyms: 1-(4-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}piperazin-1-yl)ethanone
Smiles: CC(=O)N1CCN(CC1)c1ccc(cc1)/N=c\1/[nH]cnc2c1oc1c2cccc1

STK568790
Synonyms: (5E)-5-[1-(2,3-dihydro-1H-inden-5-ylamino)propylidene]-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/Nc1ccc2c(c1)CCC2

STK568793
Synonyms: N-(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)-L-methionine
Smiles: CSCC[C@H](C(=O)O)Nc1nc(CC)nc2c1oc1c2cccc1

STK568808
Synonyms: (1S)-2-phenyl-1-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethanamine
Smiles: N[C@H](c1nnc(o1)SC/C=C/c1ccccc1)Cc1ccccc1

STK568813
Synonyms: 2-ethyl-N-(2-methylpropyl)[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: CCc1nc(NCC(C)C)c2c(n1)c1ccccc1o2

STK568826
Synonyms: 4-ethyl2-prop-2-en-1-yl5-({(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate
Smiles: C=CCOC(=O)c1sc(c(c1C)C(=O)OCC)N/C=C(\c1scc(n1)c1ccc(cc1)[N+](=O)[O-])/C#N

STK568839
Synonyms: 6-(3,5-dimethylpiperidin-1-yl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4-diamine
Smiles: CC1CC(C)CN(C1)c1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK568842
Synonyms: N-[1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(2-methylpropoxy)benzamide(non-preferredname)
Smiles: NNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c1ccc(cc1)OCC(C)C

STK568843
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)NCc1ccco1)C

STK568848
Synonyms: 2-(3,4-dimethoxyphenyl)-5-{[2-(4-methoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile
Smiles: COc1ccc(cc1)CCNc1oc(nc1C#N)c1ccc(c(c1)OC)OC

STK568851
Synonyms: 6-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoicacid
Smiles: OC(=O)CCCCCN1C(=S)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O

STK568868
Synonyms: (2Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl2-chlorobenzoate
Smiles: O=C1/C(=C/c2cccc(c2)[N+](=O)[O-])/Oc2c1ccc(c2)OC(=O)c1ccccc1Cl

STK568872
Synonyms: 2-[(E)-{[3-(6-chloro-4-phenylquinolin-2-yl)phenyl]imino}methyl]benzonitrile
Smiles: N#Cc1ccccc1/C=N/c1cccc(c1)c1nc2ccc(cc2c(c1)c1ccccc1)Cl

STK568875
Synonyms: 2-[4-(2-ethylphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: CCc1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK847375
Synonyms: 2-[(4-acetylphenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
Smiles: CC(=O)c1ccc(cc1)Nc1nc(=O)c2c(s1)nccc2

STK568877
Synonyms: 4-chloro-N-[(2Z)-5-[2-(morpholin-4-yl)ethyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: O=C(c1ccc(cc1)Cl)/N=c\1/[nH]nc(s1)CCN1CCOCC1

STK568887
Synonyms: 2-(4-fluorophenoxy)-N-[(2Z)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: Fc1ccc(cc1)OCC(=O)/N=c\1/[nH]nc(s1)c1ccco1

STK568888
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
Smiles: Cc1ccc(cc1)C1SCC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)O

STK568889
Synonyms: N-[(2Z)-3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide
Smiles: CCCC(=O)/N=C/1\SC2C(N1c1cccc(c1C)Cl)CS(=O)(=O)C2

STK568891
Synonyms: (4Z)-4-[(2-methoxyphenyl)imino]-6-[(4-methylpiperidin-1-yl)methyl]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN1CCC(CC1)C

STK568892
Synonyms: ethyl(2Z)-10-methyl-5-oxo-1-pentyl-2-{[(3,4,5-triethoxyphenyl)carbonyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCCCCn1/c(=N\C(=O)c2cc(OCC)c(c(c2)OCC)OCC)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK568893
Synonyms: ethyl(2Z)-10-methyl-2-{[(4-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC1CCCO1)nc1n(c2=O)cccc1C

STK568895
Synonyms: (8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl(4-methoxyphenyl)acetate
Smiles: COc1ccc(cc1)CC(=O)OCc1cc2cccc(c2[nH]c1=O)C

STK568903
Synonyms: 2-({5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
Smiles: CC(C[C@@H](c1nnc(o1)SCC(=O)Nc1cc(C)ccc1C)N)C

STK568905
Synonyms: [(2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-6-ium-7-yl)sulfanyl]acetate
Smiles: [O-]C(=O)CSc1[nH+]nc2n1c1sc3c(c1c1n2nc(n1)C)CC(OC3)(C)C

STK568910
Synonyms: (E)-2,3-dihydro-1,4-benzodioxin-6-yl[2-(3-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Oc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK568914
Synonyms: N-(2-{[(1E)-1-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propylidene]amino}phenyl)acetamide
Smiles: CC/C(=N\c1ccccc1NC(=O)C)/c1c(O)n(C)c(=O)n(c1=O)C

STK568923
Synonyms: 3-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]-8-methylquinolin-2(1H)-one
Smiles: O=c1[nH]c2c(C)cccc2cc1c1noc(n1)c1ccc(cc1)C(C)(C)C

STK568924
Synonyms: N-(2-bromo-4,6-difluorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(F)cc(cc1Br)F)CSc1nnc(n1Cc1ccco1)c1cccnc1

STK847380
Synonyms: (2Z)-2-[(4-ethylphenyl)imino]-7-methyl-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: CCc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)C

STK568928
Synonyms: 5-[(2-fluorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1cn[nH]c1c1ccc(cc1O)OCc1ccccc1F

STK568933
Synonyms: (4Z)-6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-4-(phenylimino)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Nc1nc(CN2CCc3c(C2)cccc3)[nH]/c(=N/c2ccccc2)/n1

STK568934
Synonyms: 4-[4-(diphenylmethyl)piperazin-1-yl]-N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)/s1

STK568941
Synonyms: N-[(2E)-5-(2-methoxyethyl)-1,3,4-thiadiazol-2(3H)-ylidene]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: COCCc1n[nH]/c(=N\C(=O)C23CC4CC(C3)CC(C2)C4)/s1

STK568950
Synonyms: 3-(4-ethoxyphenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1cccc(c1)[N+](=O)[O-]

STK568952
Synonyms: (E)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene)-1-(thiophen-2-ylcarbonyl)prolinamide
Smiles: O=C(C1CCCN1C(=O)c1cccs1)/N=c\1/sc2c([nH]1)CCCC2

STK568961
Synonyms: 2-[2-amino-5-(4-methoxyphenoxy)-6-methylpyrimidin-4-yl]-5-ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1nc(N)nc(c1Oc1ccc(cc1)OC)C

STK568971
Synonyms: 2-hydroxy-4-{(E)-[5-iminio-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenolate
Smiles: O=C1N=c2sc(nn2C(=[NH2+])/C/1=C\c1ccc(c(c1)O)[O-])c1cccnc1

STK568978
Synonyms: N-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-methylbenzamide
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1NC(=O)c1ccccc1C

STK568980
Synonyms: N-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-L-phenylalanine
Smiles: O=C(NC1CCCc2c1cccc2)N[C@H](C(=O)O)Cc1ccccc1

STK568985
Synonyms: 2-[4-(4-ethylphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: CCc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK568987
Synonyms: 1-(4-hydroxy-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-2-yl)-3-[2-(phenylsulfanyl)phenyl]guanidine
Smiles: N=C(Nc1ccccc1Sc1ccccc1)Nc1nc(O)cc(n1)CSc1nnc(s1)C

STK568989
Synonyms: ethyl(2Z)-5-oxo-1-pentyl-2-{[(3,4,5-triethoxyphenyl)carbonyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCCCCn1/c(=N\C(=O)c2cc(OCC)c(c(c2)OCC)OCC)/c(cc2c1nc1ccccn1c2=O)C(=O)OCC

STK847382
Synonyms: 1-(2-imino-3-propyl-2,3-dihydro-1H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
Smiles: CCCn1c(=N)n(c2c1cccc2)CC(COc1ccccc1C)O

STK568999
Synonyms: methyl3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoate
Smiles: COC(=O)c1cccc(c1)N/C(=C/1\C(=NC(=NC1=O)O)O)/C

STK569011
Synonyms: (2E)-2-[(4-bromophenyl)imino]-4-methyl-N-phenyl-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: Brc1ccc(cc1)/N=c\1/sc(c([nH]1)C)C(=O)Nc1ccccc1

STK569020
Synonyms: (5E)-3-tert-butyl-5-{[1-(3-chloropropyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: ClCCCN1CCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)C(C)(C)C)O

STK569023
Synonyms: 7-(3,4-dichlorophenyl)-3-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccc(cc1Cl)n1ncc2c1ncn1c2nnc1CCc1ccccc1

STK569028
Synonyms: 1-[4-(3-fluorophenyl)-6-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-5-yl]ethanone
Smiles: CC(=O)C1C(c2cccc(c2)F)c2c(CC1(C)O)[nH]nc2C

STK569030
Synonyms: 2-amino-1-{[(E)-(3-hydroxyphenyl)methylidene]amino}-N-[3-(propan-2-yloxy)propyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CC(OCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1cccc(c1)O)C

STK569032
Synonyms: 6-cyclohexyl-3-(5-phenyl-1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: C1CCC(CC1)c1nn2c(s1)nnc2c1n[nH]c(c1)c1ccccc1

STK569035
Synonyms: 3-(4-chloro-2-nitrophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])n1c(/C=C/c2ccco2)nc2c(c1=O)cccc2

STK569038
Synonyms: methylN-{[4-(trifluoromethoxy)phenyl]carbamoyl}-D-phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)OC(F)(F)F

STK569049
Synonyms: 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydroquinazolin-4-ol
Smiles: CCOc1cccc2c1nc(Nc1nc(O)c3c(n1)CCCC3)nc2C

STK847386
Synonyms: 7-methyl-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]quinolin-2(1H)-one
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)c1noc(n1)c1ccccc1C

STK569058
Synonyms: methyl{4-[bis(2,6-dioxo-4-phenylcyclohexyl)methyl]phenoxy}acetate
Smiles: COC(=O)COc1ccc(cc1)C(C1C(=O)CC(CC1=O)c1ccccc1)C1C(=O)CC(CC1=O)c1ccccc1

STK569061
Synonyms: 4-cyano-3-methyl-2-(4-methylbenzyl)pyrido[1,2-a][3,1]benzimidazol-5-ium-1-olate
Smiles: N#Cc1c(C)c(Cc2ccc(cc2)C)c(n2c1[nH+]c1c2cccc1)[O-]

STK569062
Synonyms: N-[(2Z)-3-[(3-chloro-4-methylphenyl)amino]quinoxalin-2(1H)-ylidene]-2,5-dimethylbenzenesulfonamide
Smiles: Cc1ccc(c(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(c(c1)Cl)C)C

STK569067
Synonyms: (2E)-3-[5-(2-cyanophenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: N#Cc1ccccc1c1ccc(o1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STK569069
Synonyms: (2Z)-N~6~-(3-chlorophenyl)-2-[(3-fluorophenyl)imino]-5-nitro-1,2-dihydropyrimidine-4,6-diamine
Smiles: Clc1cccc(c1)Nc1[nH]/c(=N/c2cccc(c2)F)/nc(c1[N+](=O)[O-])N

STK569074
Synonyms: 3-(2,4-dimethoxyphenyl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-imine5,5-dioxide
Smiles: COc1cc(OC)ccc1N1C(=N)SC2C1CS(=O)(=O)C2

STK569075
Synonyms: 8-(3-chlorophenyl)-1,3-dimethyl-7-(3-nitrophenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1cccc(c1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1cccc(c1)[N+](=O)[O-]

STK569076
Synonyms: methyl[(2E)-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Smiles: COc1ccc(cc1)c1n[nH]/c(=N\C(=O)OC)/s1

STK569081
Synonyms: (2E)-3-[4-(methoxycarbonyl)phenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COC(=O)c1ccc(cc1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STK569084
Synonyms: N,N-dimethyl-2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: CN(c1nc(nc2c1oc1c2cccc1)c1ccccc1)C

STK569088
Synonyms: butyl4-{[(3Z)-3-{[(4-fluorophenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)F

STK847387
Synonyms: 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yldimethylcarbamate
Smiles: COc1ccc(cc1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N(C)C

STK569092
Synonyms: N-[(2Z)-3-(butylamino)quinoxalin-2(1H)-ylidene]-4-fluorobenzenesulfonamide
Smiles: CCCCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)F

STK569093
Synonyms: ethyl(2Z)-10-methyl-2-{[(3-nitrophenyl)carbonyl]imino}-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cccc(c1)[N+](=O)[O-])CCC)nc1n(c2=O)cccc1C

STK569094
Synonyms: N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(propan-2-yl)acetamide
Smiles: CC(N(C(=O)C)Cc1cc2cccc(c2[nH]c1=O)C)C

STK569096
Synonyms: 2-[4-(3-chlorophenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: Clc1cccc(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK569097
Synonyms: (2E)-2-[(3-chlorophenyl)imino]-N~4~-(4-fluorophenyl)-5-nitro-1,2-dihydropyrimidine-4,6-diamine
Smiles: Fc1ccc(cc1)Nc1n/c(=N/c2cccc(c2)Cl)/[nH]c(c1[N+](=O)[O-])N

STK569098
Synonyms: 2-{[4-amino-6-(morpholin-4-yl)-5-nitropyrimidin-2-yl]amino}ethanol
Smiles: OCCNc1nc(N2CCOCC2)c(c(n1)N)[N+](=O)[O-]

STK569099
Synonyms: N-{(5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-2-nitrobenzamide
Smiles: S=C1S/C(=C\C=C\c2ccco2)/C(=O)N1NC(=O)c1ccccc1[N+](=O)[O-]

STK569111
Synonyms: N-[(2-ethylphenyl)carbamoyl]-L-alanine
Smiles: CCc1ccccc1NC(=O)N[C@H](C(=O)O)C

STK569114
Synonyms: ethyl(2Z)-10-methyl-2-{[(4-nitrophenyl)carbonyl]imino}-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCCCCn1/c(=N\C(=O)c2ccc(cc2)[N+](=O)[O-])/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK569117
Synonyms: 2-ethoxy-4-(4-{4-[2-(3-ethoxy-4-oxidophenyl)-4-phenyl-1H-imidazol-3-ium-5-yl]phenyl}-5-phenyl-1H-imidazol-3-ium-2-yl)phenolate
Smiles: CCOc1cc(ccc1[O-])c1[nH]c(c([nH+]1)c1ccc(cc1)c1[nH]c([nH+]c1c1ccccc1)c1ccc(c(c1)OCC)[O-])c1ccccc1

STK569131
Synonyms: 2-{[(2E)-2-[(2E)-(3,4-dichlorobenzylidene)hydrazinylidene]-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]oxy}-N,N-dimethylacetamide
Smiles: O=C(N(C)C)COn1/c(=N/N=C/c2ccc(c(c2)Cl)Cl)/[nH]c2c(c1=O)cccc2

STK569135
Synonyms: (4-benzylpiperazin-4-ium-1-yl)acetate
Smiles: [O-]C(=O)CN1CC[NH+](CC1)Cc1ccccc1

STK569138
Synonyms: 7-chloro-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole
Smiles: CN1CCN(CC1)c1cc(Cl)c2c(c1[N+](=O)[O-])non2

STK569151
Synonyms: 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STK569161
Synonyms:
Smiles: CCOc1ccc(cc1)NC(=O)N[C@@H](C(CC)C)C(=O)O

STK569162
Synonyms: N-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-bromobenzamide
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1NC(=O)c1ccccc1Br

STK569165
Synonyms: (4Z)-6-[(4-benzylpiperidin-1-yl)methyl]-4-(phenylimino)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Nc1nc(CN2CCC(CC2)Cc2ccccc2)[nH]/c(=N/c2ccccc2)/n1

STK569166
Synonyms: (4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-[4-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Smiles: CCCCCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)OCC)\O)/C(=O)C(=O)N1c1noc(c1)C

STK569168
Synonyms: N-ethyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-2-carboxamide
Smiles: CCN(C(=O)c1ccccn1)Cc1cc2ccccc2[nH]c1=O

STK569174
Synonyms: (2Z)-N~6~-(3-chlorophenyl)-2-[(2-fluorophenyl)imino]-5-nitro-1,2-dihydropyrimidine-4,6-diamine
Smiles: Clc1cccc(c1)Nc1[nH]/c(=N/c2ccccc2F)/nc(c1[N+](=O)[O-])N

STK569175
Synonyms: 2-[4-(4-bromophenyl)-1H-pyrazol-5-yl]-5-[(2,4-dichlorobenzyl)oxy]phenol
Smiles: Brc1ccc(cc1)c1cn[nH]c1c1ccc(cc1O)OCc1ccc(cc1Cl)Cl

STK844789
Synonyms: 6-(piperidin-1-yl)-9H-purine
Smiles: C1CCN(CC1)c1ncnc2c1nc[nH]2

STK845237
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-3-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cccnc1)/c1nc2c(o1)cccc2

STK845315
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccn1)/c1nc2c(s1)cccc2

STK845464
Synonyms: (1E)-N-hydroxy-9-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-imine
Smiles: O/N=C/1\CCCc2c1n(C)c1c2cccc1

STK845570
Synonyms: (2E)-2-(1-methyl-1H-benzimidazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccn1)/c1nc2c(n1C)cccc2

STK845699
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccncc1)/c1nc2c(o1)cccc2

STK569181
Synonyms: N-[4-(acetylamino)phenyl]-2-{[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nnc(n1Cc1ccco1)c1ccccc1Cl

STK569186
Synonyms: N-[(4E)-2-ethyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]-2,4-dimethoxyaniline
Smiles: COc1ccc(c(c1)OC)/N=c\1/[nH]c(CC)nc2c1oc1c2cccc1

STK569187
Synonyms: 5-nitro-N~2~-(prop-2-en-1-yl)-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine
Smiles: C=CCNc1nc(N2CCCC2)c(c(n1)N)[N+](=O)[O-]

STK569189
Synonyms: ethyl(2Z)-1-butyl-10-methyl-2-{[(4-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCCCn1/c(=N\C(=O)c2ccc(c(c2)[N+](=O)[O-])C)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK847392
Synonyms: (4E)-5-(2,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1ccc(c(c1)OC)C1NC(=O)C(=O)/C/1=C(\c1ccccc1)/O

STK569202
Synonyms: N-[(4E)-2-ethyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]quinoxalin-6-amine
Smiles: CCc1[nH]/c(=N/c2ccc3c(c2)nccn3)/c2c(n1)c1ccccc1o2

STK569204
Synonyms: ethyl4-[(2-chloro-4-nitrophenyl)amino]-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate
Smiles: CCOC(=O)c1cnc(nc1Nc1ccc(cc1Cl)[N+](=O)[O-])n1nc(cc1C)C

STK569206
Synonyms: (5E)-3-cycloheptyl-6-hydroxy-5-[(2-phenylhydrazinyl)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\NNc2ccccc2)/C(=O)N1C1CCCCCC1

STK569215
Synonyms: ethyl(2Z)-1-(3-ethoxypropyl)-10-methyl-2-{[(4-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1ccc(cc1)[N+](=O)[O-])CCCOCC)nc1n(c2=O)cccc1C

STK569216
Synonyms: (5Z)-5-({[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}methylidene)-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: OCC(N/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)(CO)CO

STK569222
Synonyms: 6-hydroxy-7-(2-hydroxyethyl)-3-methyl-8-[(3-methylphenyl)amino]-3,7-dihydro-2H-purin-2-one
Smiles: OCCn1c(Nc2cccc(c2)C)nc2c1c(O)nc(=O)n2C

STK569223
Synonyms: 3-amino-N-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cc(ccc1OC)c1ccc2c(n1)sc(c2N)C(=O)Nc1ccc(cc1)Br

STK569224
Synonyms: 2-(4-fluorophenyl)-12-phenyl-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: Fc1ccc(cc1)c1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]

STK569229
Synonyms: 3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methylquinolin-2(1H)-one
Smiles: Fc1ccc(cc1)c1onc(n1)c1cc2cccc(c2[nH]c1=O)C

STK569232
Synonyms: ethyl(2Z)-10-methyl-2-{[(4-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1ccc(c(c1)[N+](=O)[O-])C)CCC)nc1n(c2=O)cccc1C

STK847396
Synonyms: N,N-dimethyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: CN(c1ncnc2c1oc1c2cccc1)C

STK569240
Synonyms: 5-{[(2Z)-5,5-dioxido-3-(prop-2-en-1-yl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoicacid
Smiles: C=CCN1/C(=N/C(=O)CCCC(=O)O)/SC2C1CS(=O)(=O)C2

STK569241
Synonyms: methyl[(5Z)-5-{[(2-methylphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
Smiles: COC(=O)Cc1n[nH]/c(=N/C(=O)c2ccccc2C)/s1

STK569246
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCc1ccco1)C

STK847398
Synonyms: N-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CCCN(C1)c1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]

STK847399
Synonyms: 3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methylquinolin-2(1H)-one
Smiles: COc1cc(ccc1OC)c1onc(n1)c1cc2ccc(cc2[nH]c1=O)C

STK569254
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)Oc1ccccc1)C

STK569260
Synonyms: tert-butyl(2S)-2-({(2E)-2-[(2,4-dihydroxy-6-methylpyrimidin-5-yl)methylidene]hydrazinyl}carbonyl)pyrrolidine-1-carboxylate(non-preferredname)
Smiles: Oc1nc(C)c(c(n1)O)/C=N/NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

STK569265
Synonyms: 6-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-4-(trifluoromethyl)-2,4'-bipyridine-5-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc3c(c2)OCO3)nc(cc1C(F)(F)F)c1ccncc1

STK569269
Synonyms: 3-{5-[(E)-{2-[(4-ammonio-1,2,5-oxadiazol-3-yl)carbonyl]hydrazinylidene}methyl]furan-2-yl}benzoate
Smiles: O=C(c1nonc1[NH3+])N/N=C/c1ccc(o1)c1cccc(c1)C(=O)[O-]

STK569271
Synonyms: 3-tert-butyl-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC(c1nnc2n1cnc1c2cnn1c1ccccc1)(C)C

STK569276
Synonyms: (5Z)-1-(4-methylphenyl)-4,6-dioxo-5-{[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)hydrazinyl]methylidene}-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: Cc1ccc(cc1)N1C(=NC(=O)/C(=C/NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)[S-]

STK569282
Synonyms: N-{(2E)-3-cyano-10-methyl-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene}-4-nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)[N+](=O)[O-])CCCOC(C)C)nc1n(c2=O)cccc1C

STK569284
Synonyms: 2-{4-[4-(propan-2-yloxy)phenoxy]quinazolin-1-ium-2-yl}phenolate
Smiles: CC(Oc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])C

STK569287
Synonyms: (5Z)-5-[(1,2-dimethyl-1H-indol-3-yl)methylidene]-2-hydroxy-1,3-thiazol-4(5H)-one
Smiles: OC1=NC(=O)/C(=C/c2c(C)n(c3c2cccc3)C)/S1

STK569288
Synonyms: methyl4-[(E)-{[3-(5-phenyl-1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STK569289
Synonyms: 2,2-dimethyl-N-[(2Z)-5-(pyridin-3-yl)-1,3,4-thiadiazol-2(3H)-ylidene]propanamide
Smiles: O=C(C(C)(C)C)/N=c\1/[nH]nc(s1)c1cccnc1

STK569292
Synonyms: 4-{4-[2-(naphthalen-1-yloxy)ethyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)CCOc2cccc3c2cccc3)/s1

STK847402
Synonyms: 3-(4-chlorophenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole
Smiles: CCn1c(SCc2c(Cl)cccc2Cl)nnc1c1ccc(cc1)Cl

STK569295
Synonyms: 9-(ethylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7-ol
Smiles: CCSc1nnc2n1c(O)c1c(n2)c2ccccc2CC21CCCC2

STK569307
Synonyms: 2-(4-chlorophenyl)-7-(2,4-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1)c1nc2n(n1)cnc1c2cnn1c1ccc(cc1C)C

STK569313
Synonyms: (5E)-3-cycloheptyl-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C/NCCC1=CCCCC1)C1CCCCCC1

STK847403
Synonyms: (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl4-nitrobenzoate
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Oc1ccc2c(c1)O/C(=C\c1sccc1C)/C2=O

STK847404
Synonyms: propyl4-{[3-(2-hydroxy-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy}benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(C)[nH]nc1c1ccc(cc1O)OC

STK569322
Synonyms: (5E)-6-hydroxy-3-(4-methoxyphenyl)-5-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCCN2CCOCC2)/C)/C1=O)O

STK569323
Synonyms: 2-(naphthalen-2-yloxy)-N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
Smiles: O=C(Nc1[nH]c2=NC(=O)CC(n2n1)c1ccccc1)COc1ccc2c(c1)cccc2

STK569331
Synonyms: (5-hydroxy-2-methyl-1-benzofuran-3-yl)(4-nitrophenyl)methanone
Smiles: O=C(c1c(C)oc2c1cc(O)cc2)c1ccc(cc1)[N+](=O)[O-]

STK569342
Synonyms: 3-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O

STK569343
Synonyms: N-(3-methoxypropyl)[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: COCCCNc1ncnc2c1oc1c2cccc1

STK569351
Synonyms: methylN-[(2,5-dichlorophenyl)carbamoyl]-D-valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1cc(Cl)ccc1Cl

STK569365
Synonyms: N'-[(E)-(3,4-dihydroxyphenyl)methylidene]-2-[(2-methyl-4-oxoquinazolin-3(4H)-yl)oxy]acetohydrazide
Smiles: O=C(COn1c(C)nc2c(c1=O)cccc2)N/N=C/c1ccc(c(c1)O)O

STK569366
Synonyms: 2-({[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1nc2c([nH]1)cccc2

STK569370
Synonyms: (5E)-5-[1-(cyclopropylamino)ethylidene]-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C(\NC2CC2)/C)/C1=O)O

STK569372
Synonyms: (2Z)-2-[(4,6-dimethylpyrimidin-2-yl)imino]-6-hydroxy-3-(4-methylphenyl)-2,3,4,5-tetrahydropyrimidine-4-carboxylicacid
Smiles: OC1=N/C(=N\c2nc(C)cc(n2)C)/N(C(C1)C(=O)O)c1ccc(cc1)C

STK569379
Synonyms: 3-amino-N-[4-chloro-2-(phenylcarbonyl)phenyl]-5-hydroxy-4-(5-methylfuran-2-yl)-4,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Clc1ccc(c(c1)C(=O)c1ccccc1)NC(=O)c1sc2c(c1N)C(c1ccc(o1)C)C1=C(O)CCCC1=N2

STK847414
Synonyms: (5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
Smiles: SC1=NC(=O)/C(=C/C=C/c2ccco2)/S1

STK569384
Synonyms: 3-(4-bromophenyl)-5-(4-chloro-2-methoxy-5-methylphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(Cl)c(cc1N1C(=O)C2C(C1=O)C(=NO2)c1ccc(cc1)Br)C

STK569388
Synonyms: 5-(2-bromo-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(ccc1OC)C1=NOC2C1C(=O)N(C2=O)c1ccc(cc1Br)C

STK569389
Synonyms: N~4~-(3-chlorophenyl)-N~2~-cyclohexyl-5-nitropyrimidine-2,4,6-triamine
Smiles: Clc1cccc(c1)Nc1nc(NC2CCCCC2)nc(c1[N+](=O)[O-])N

STK569390
Synonyms: 2-({5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-bromophenyl)acetamide
Smiles: CC(C[C@@H](c1nnc(o1)SCC(=O)Nc1ccc(cc1)Br)N)C

STK569396
Synonyms: N-[(2Z)-3-{[2-(4-methoxyphenyl)ethyl]amino}quinoxalin-2(1H)-ylidene]-3-methylbenzenesulfonamide
Smiles: COc1ccc(cc1)CCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc(c1)C

STK569397
Synonyms: (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl5-ethoxy-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1c(Cl)cccc1Cl)/C3=O)c(o2)c1ccccc1

STK569402
Synonyms: methylN-[(2,2-diphenylethyl)carbamoyl]-D-alaninate
Smiles: COC(=O)[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)C

STK569415
Synonyms: 4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)OC)/s1

STK569417
Synonyms: (E)-[2-(4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)Cc1ccc[nH+]c1)/[O-]

STK569419
Synonyms: 2-({1-[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl]piperidin-4-yl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(N1CCC(CC1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK569420
Synonyms: 3-methoxy-N-[(4E)-2-methyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]aniline
Smiles: COc1cccc(c1)/N=c\1/[nH]c(C)nc2c1oc1c2cccc1

STK569425
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)Nc1cccc(c1C)C)C

STK569426
Synonyms: tert-butyl[(2S)-1-{(2E)-2-[(2,4-dihydroxy-6-methylpyrimidin-5-yl)methylidene]hydrazinyl}-3-methyl-1-oxobutan-2-yl]carbamate(non-preferredname)
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)N/N=C/c1c(C)nc(nc1O)O)C(C)C

STK569427
Synonyms: ethyl(2Z)-1-(furan-2-ylmethyl)-10-methyl-5-oxo-2-{[(3,4,5-trimethoxyphenyl)carbonyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cc(OC)c(c(c1)OC)OC)Cc1ccco1)nc1n(c2=O)cccc1C

STK569431
Synonyms: 6-hydroxy-3-methyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: C=CCn1c(nc2c1c(O)nc(=O)n2C)Sc1nncn1C

STK569433
Synonyms: [(3Z)-3-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C\1/c2ccccc2N(C1=O)CC(=O)[O-]

STK569442
Synonyms: (2Z)-2-[(4-chlorophenyl)imino]-7-(4-fluorophenyl)-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: Fc1ccc(cc1)C1CC(=O)c2c(C1)[nH]/c(=N/c1ccc(cc1)Cl)/nc2

STK847416
Synonyms: 6-(2,6-dimethylmorpholin-4-yl)-5-nitro-2-(piperidin-1-yl)pyrimidin-4-amine
Smiles: CC1OC(C)CN(C1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1

STK569453
Synonyms: 4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-[4-(pyridin-2-yl)piperazin-1-yl]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(C)C)CCC(=O)N1CCN(CC1)c1ccccn1

STK569459
Synonyms: 3-cyclohexyl-N-[4-hydroxy-2,6-dioxo-1-phenyl-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide
Smiles: O=C(NC1(C(=O)Nc2c1c(O)nc(=O)n2c1ccccc1)C(F)(F)F)CCC1CCCCC1

STK569465
Synonyms: N-[(2E)-3-cyano-10-methyl-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-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-])CC1CCCO1)nc1n(c2=O)cccc1C

STK569469
Synonyms: 2,6-di(furan-2-yl)-4-(prop-2-en-1-yl)-3-propylpiperidin-4-ol
Smiles: C=CCC1(O)CC(NC(C1CCC)c1ccco1)c1ccco1

STK569470
Synonyms: ethyl(2Z)-10-methyl-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-2-{[(3,4,5-trimethoxyphenyl)carbonyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cc(OC)c(c(c1)OC)OC)CC1CCCO1)nc1n(c2=O)cccc1C

STK569480
Synonyms: 6'-amino-3'-butyl-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: CCCCc1[nH]nc2c1C1(C(=O)Nc3c1cccc3)C(=C(O2)N)C#N

STK847417
Synonyms: N~2~-cyclohexyl-5-nitro-N~4~-phenylpyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)NC1CCCCC1

STK569484
Synonyms: 6-chloro-3-{[5-cyclopropyl-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol
Smiles: Cc1ccc(c(c1)C)n1c(nnc1C1CC1)Sc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STK569488
Synonyms: 9-chloro-3-[3-(1H-imidazol-1-yl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Clc1cccc2c1c1ncn(c(=O)c1[nH]2)CCCn1cncc1

STK569493
Synonyms: 3-(2-bromophenoxy)-7-[(2-chloro-4-fluorobenzyl)oxy]-4H-chromen-4-one
Smiles: Fc1ccc(c(c1)Cl)COc1ccc2c(c1)occ(c2=O)Oc1ccccc1Br

STK569496
Synonyms: 2-methoxy-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(propan-2-yl)benzamide
Smiles: COc1ccccc1C(=O)N(C(C)C)Cc1cc2ccccc2[nH]c1=O

STK569497
Synonyms: N~2~-benzyl-N~4~-(2,5-dimethoxyphenyl)-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(c(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(Cc1ccccc1)C)OC

STK569499
Synonyms: ethyl(2Z)-1-(3-ethoxypropyl)-10-methyl-2-{[(2-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOCCCn1/c(=N\C(=O)c2ccccc2[N+](=O)[O-])/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK569506
Synonyms: 2-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}quinazolin-4-olate
Smiles: OCCN1CC[NH+](CC1)Cc1nc([O-])c2c(n1)cccc2

STK569508
Synonyms: N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanehydrazide
Smiles: O=C(C(n1nc(c(c1C)[N+](=O)[O-])C)C)N/N=C/c1ccc(cc1)N(C)C

STK569512
Synonyms: 2-[(4-ethoxyphenyl)amino]-5,6,7,8-tetrahydroquinazolin-4-ol
Smiles: CCOc1ccc(cc1)Nc1nc(O)c2c(n1)CCCC2

STK801755
Synonyms: 3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol
Smiles: [O-][N+](=O)c1c(NCCCO)cc(c2c1non2)Cl

STK569520
Synonyms: ethyl6-tert-butyl-2-({(E)-2-cyano-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N/C=C(/c2scc(n2)c2cc3ccccc3oc2=O)\C#N)sc2c1CCC(C2)C(C)(C)C

STK569527
Synonyms: (E)-(5-methylfuran-2-yl){1-methyl-1'-[3-(morpholin-4-ium-4-yl)propyl]-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Smiles: Cc1ccc(o1)/C(=C/1\C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)C)CCC[NH+]1CCOCC1)/[O-]

STK569530
Synonyms: 2-ethyl-N-[3-(propan-2-yloxy)propyl][1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: CCc1nc(NCCCOC(C)C)c2c(n1)c1ccccc1o2

STK569532
Synonyms: 6'-amino-3'-butyl-5-chloro-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: CCCCc1[nH]nc2c1C1(C(=O)Nc3c1cc(Cl)cc3)C(=C(O2)N)C#N

STK569533
Synonyms: 4-[(E)-({2-amino-3-[(2,5-dimethylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}imino)methyl]benzene-1,2-diol
Smiles: Cc1ccc(c(c1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccc(c(c1)O)O)C

STK847422
Synonyms: ethyl4-[3-methyl-6-oxo-4-(pyridin-3-yl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1c1cccnc1)c([nH]n2)C

STK569539
Synonyms: 6-hydroxy-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-8-(piperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: Cc1nnc(s1)SCCn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1

STK569542
Synonyms: (2E)-3-(2-methoxy-5-nitrophenyl)-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C/c1cc(ccc1OC)[N+](=O)[O-])/C#N

STK569552
Synonyms: N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-2-[(2-methyl-4-oxoquinazolin-3(4H)-yl)oxy]acetohydrazide
Smiles: O=C(COn1c(C)nc2c(c1=O)cccc2)N/N=C/c1ccc(cc1O)O

STK569554
Synonyms: 2-[(E)-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-2-ium-1-yl)acetyl]hydrazinylidene}methyl]-6-methoxyphenolate
Smiles: COc1cccc(c1[O-])/C=N/NC(=O)Cn1[nH+]c(c(c1C)[N+](=O)[O-])C

STK569556
Synonyms: (3aR,6aS)-3-(2,4-dimethoxyphenyl)-5-(5-methoxy-2-methyl-4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1ccc(c(c1)OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(OC)c(cc1C)[N+](=O)[O-]

STK569567
Synonyms: 2',2'-dimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-5H-spiro[azepino[1,2-a]quinoline-6,5'-[1,3]dioxane]-4',6'-dione
Smiles: [O-][N+](=O)c1ccc2c(c1)CC1(C3N2CCCCC3)C(=O)OC(OC1=O)(C)C

STK569574
Synonyms: (5E)-1-(4-ethoxyphenyl)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cccn2c2ccc(cc2)O)/C1=O)S

STK569576
Synonyms: 2-({5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
Smiles: CC(C[C@@H](c1nnc(o1)SCC(=O)N)N)C

STK569585
Synonyms: (2Z)-3-[4-(benzyloxy)-3-bromophenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C/c1ccc(c(c1)Br)OCc1ccccc1)/Sc1[nH]nc([nH+]1)C

STK569587
Synonyms: 2-({5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-bromophenyl)acetamide
Smiles: N[C@H](c1nnc(o1)SCC(=O)Nc1ccc(cc1)Br)C(C)C

STK569591
Synonyms: 4-methoxy-N-[(2Z)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: COc1ccc(cc1)Cc1n[nH]/c(=N/C(=O)c2ccc(cc2)OC)/s1

STK847428
Synonyms: N-[(3Z)-1,8-dimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]thiophene-2-carboxamide
Smiles: O=C(c1cccs1)/N=c/1\[nH]n(c2c1cc1cccc(c1n2)C)C

STK569602
Synonyms: 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(4-fluorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cn[nH]c1c1ccc(cc1O)OCc1ccc(cc1)F

STK569603
Synonyms: N-[(3E)-7-methyl-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]tetrahydrofuran-2-carboxamide
Smiles: CC(Cn1[nH]/c(=N/C(=O)C2CCCO2)/c2c1nc1cc(C)ccc1c2)C

STK847429
Synonyms: 7-[(4-chlorobenzyl)oxy]-3-(2-methoxyphenoxy)-4H-chromen-4-one
Smiles: COc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)Cl

STK569613
Synonyms: (5E)-5-{1-[(4-ethoxyphenyl)amino]ethylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: CCOc1ccc(cc1)N/C(=C/1\C(=NC(=NC1=O)O)O)/C

STK569615
Synonyms: 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-6-hydroxy-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCn1c(N/N=C/C(=C/c2ccccc2)/Br)nc2c1c(O)nc(=O)n2C

STK847430
Synonyms: N-[(2Z)-5-tert-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-phenoxyacetamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(C)(C)C)COc1ccccc1

STK569625
Synonyms: 6'-amino-2-oxo-1-(propan-2-yl)-3'-propyl-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: CCCc1[nH]nc2c1C1(C(=C(O2)N)C#N)c2ccccc2N(C1=O)C(C)C

STK569627
Synonyms: N-1,3-benzodioxol-5-yl-1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-prolinamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)OCO2

STK569629
Synonyms: 2-chloro-N-(3-methylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]acetamide
Smiles: ClCC(=O)N(c1cccc(c1)C)Cc1cc(=O)[nH]c2c1cccc2

STK569634
Synonyms: 2-amino-4-(2,3-dimethoxyphenyl)-6-phenyl-4H-pyran-3,5-dicarbonitrile
Smiles: N#CC1=C(OC(=C(C1c1cccc(c1OC)OC)C#N)N)c1ccccc1

STK569636
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Oc1ccccc1)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

STK569638
Synonyms: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: Cc1nc(NCCC2=CCCCC2)c2c(n1)c1ccccc1o2

STK847432
Synonyms: 3-amino-N-[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1cccs1)/N=c\1/scc([nH]1)C

STK847433
Synonyms: 1,1-dibenzyl-3-[(2Z)-4,6-dimethylpyrimidin-2(1H)-ylidene]guanidine
Smiles: Cc1cc(C)[nH]/c(=N/C(=N)N(Cc2ccccc2)Cc2ccccc2)/n1

STK569647
Synonyms: (5Z)-5-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C(/Nc2cc(OC)ccc2OC)\C)/C1=O)O

STK569666
Synonyms: (6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl2,2-dimethylpropanoate
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)COC(=O)C(C)(C)C

STK569667
Synonyms: N~2~-[3-(dimethylamino)propyl]-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CN(CCCNc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-])C

STK569671
Synonyms: 4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-[4-(pyridin-2-yl)piperazin-1-yl]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2ccccn2)/s1

STK569675
Synonyms: N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
Smiles: CC1CCCN(C1)c1nc(NCc2ccc(cc2)Cl)nc(c1[N+](=O)[O-])N

STK569677
Synonyms: N-(2-ethylphenyl)-1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-prolinamide
Smiles: CCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK569679
Synonyms: 1-butyl-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Smiles: CCCCN1C(=O)N=C(C2(C1=O)C[NH+](C)c1c(C2)cc(cc1)C)[O-]

STK569680
Synonyms: N-{(2E)-3-cyano-10-methyl-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene}-4-methyl-3-nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(c(c1)[N+](=O)[O-])C)CCCOC(C)C)nc1n(c2=O)cccc1C

STK569683
Synonyms: ethyl(2Z)-10-methyl-2-{[(2-nitrophenyl)carbonyl]imino}-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1ccccc1[N+](=O)[O-])CCC)nc1n(c2=O)cccc1C

STK569684
Synonyms: (2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: Fc1ccc(cc1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STK847439
Synonyms: 6-amino-2-[(2-chloro-6-fluorobenzyl)sulfanyl]pyrimidin-4-ol
Smiles: Nc1nc(SCc2c(F)cccc2Cl)nc(c1)O

STK569700
Synonyms: 2-[4-(3-ethylphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: CCc1cccc(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK847440
Synonyms: N-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Smiles: O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)Nc1ccccc1Cl

STK847441
Synonyms: 2-(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)-N-[(2E)-4-phenyl-1,3-thiazol-2(3H)-ylidene]acetamide
Smiles: O=C(/N=c\1/scc([nH]1)c1ccccc1)CC1CC(OC1=O)(C)C

STK569705
Synonyms: N-[(3Z)-8-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]tetrahydrofuran-2-carboxamide
Smiles: CCCn1[nH]/c(=N\C(=O)C2CCCO2)/c2c1nc1c(C)cccc1c2

STK569708
Synonyms: 2-{4-[3-(propan-2-yloxy)phenoxy]quinazolin-1-ium-2-yl}phenolate
Smiles: CC(Oc1cccc(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])C

STK569709
Synonyms: ethyl2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrole-3-carboxylate
Smiles: CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1OC)OC)c1ccc(cc1)S(=O)(=O)N

STK569716
Synonyms: 2-[9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-1-ium-2-yl]naphthalen-1-olate
Smiles: CC(N1CCc2c(C1)sc1c2c2[nH+]c(nn2cn1)c1ccc2c(c1[O-])cccc2)C

STK569720
Synonyms: N-[(3Z)-6-methoxy-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-3-methylbutanamide
Smiles: CCCn1[nH]/c(=N\C(=O)CC(C)C)/c2c1nc1ccc(cc1c2)OC

STK569745
Synonyms: N-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-N'-[4-(propan-2-yl)phenyl]butanediamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CCC(=O)/N=c/1\[nH]nc(s1)CC(C)C

STK569753
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CC1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CC(C)CC(C1)C

STK569754
Synonyms: (5E)-6-hydroxy-3-(prop-2-en-1-yl)-5-{1-[(tetrahydrofuran-2-ylmethyl)amino]ethylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCC2CCCO2)/C)/C1=O)O

STK569756
Synonyms: (2Z)-N~6~-(3-chlorophenyl)-2-[(3-chlorophenyl)imino]-5-nitro-1,2-dihydropyrimidine-4,6-diamine
Smiles: Clc1cccc(c1)Nc1[nH]/c(=N/c2cccc(c2)Cl)/nc(c1[N+](=O)[O-])N

STK569757
Synonyms: 5-(2,4-dichlorophenyl)-3-(2,3-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cccc(c1OC)C1=NOC2C1C(=O)N(C2=O)c1ccc(cc1Cl)Cl

STK847444
Synonyms: ethyl{[3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}acetate
Smiles: CCOC(=O)COc1ccc2c(c1)occ(c2=O)c1ccc(cc1)Cl

STK569768
Synonyms: (5Z)-1-(2-methylphenyl)-4,6-dioxo-5-{[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)hydrazinyl]methylidene}-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: O=C1N=C([S-])N(C(=O)/C/1=C\NNc1[nH+]c2c(n1C)c(=O)n(c(=O)n2C)C)c1ccccc1C

STK569771
Synonyms: 8-bromo-N-cyclohexyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: Brc1ccc2c(c1)c1ncnc(c1o2)NC1CCCCC1

STK569773
Synonyms: 5-{[(E)-(2-methoxyphenyl)methylidene]amino}pyrimidine-2,4-diol
Smiles: COc1ccccc1/C=N/c1cnc(nc1O)O

STK569779
Synonyms: 6-(3,5-dimethylpiperidin-1-yl)-N~2~-(3-methylbutyl)-5-nitropyrimidine-2,4-diamine
Smiles: CC(CCNc1nc(N2CC(C)CC(C2)C)c(c(n1)N)[N+](=O)[O-])C

STK569781
Synonyms: 4-[(E)-{2-[(4-ammonio-1,2,5-oxadiazol-3-yl)carbonyl]hydrazinylidene}methyl]-2-methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)c2nonc2[NH3+])ccc1[O-]

STK801756
Synonyms: 6-chloro-7H-purin-2-amine
Smiles: Nc1nc(Cl)c2c(n1)nc[nH]2

STK569785
Synonyms: 3-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]-5,6,7,8-tetrahydronaphthalen-2-ol
Smiles: Oc1cc2CCCCc2cc1/N=c\1/[nH]cnc2c1oc1c2cccc1

STK569786
Synonyms: 4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)/s1

STK569793
Synonyms: 2-{[4-amino-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino}ethanol
Smiles: OCCNc1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK569794
Synonyms: 3-{(2Z)-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-2,3-dihydro-1,3-thiazol-4-yl}-N,N-dimethylbenzenesulfonamide
Smiles: CN(S(=O)(=O)c1cccc(c1)c1cs/c(=N\N=C\c2ccco2)/[nH]1)C

STK847445
Synonyms: 2-(4-nitrophenyl)-1-(prop-2-en-1-yl)-1H-imidazo[4,5-b]quinoxaline
Smiles: C=CCn1c(nc2c1nc1ccccc1n2)c1ccc(cc1)[N+](=O)[O-]

STK569799
Synonyms: 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)phenolate
Smiles: [O-]c1cccc(c1)c1[nH]c2c([nH+]1)n(C)c(=O)n(c2=O)C

STK569803
Synonyms: 4-{[4-(2-cyanoethyl)piperazin-4-ium-1-yl]carbonothioyl}-2-methoxyphenolate
Smiles: N#CCC[NH+]1CCN(CC1)C(=S)c1ccc(c(c1)OC)[O-]

STK569807
Synonyms: (3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-2-ium-4-yl)acetate
Smiles: [O-]C(=O)CC1C(=[NH+]NC1=O)C

STK847446
Synonyms: (2Z)-2-[(4-fluorophenyl)imino]-7-(furan-2-yl)-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: Fc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccco1

STK569822
Synonyms: 3-nitro-2',6'-dioxo-1',6',6a,7,8,9,10,11-octahydro-2'H,5H-spiro[azepino[1,2-a]quinolinium-6,5'-pyrimidin]-4'-olate
Smiles: O=C1NC(=O)C2(C(=N1)[O-])Cc1cc(ccc1[NH+]1C2CCCCC1)[N+](=O)[O-]

STK569823
Synonyms: N-[(2E)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(2-methylphenoxy)acetamide
Smiles: COc1ccccc1c1n[nH]/c(=N\C(=O)COc2ccccc2C)/s1

STK569831
Synonyms: (2Z)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl4-nitrobenzoate
Smiles: COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1ccc(cc1)[N+](=O)[O-])OC

STK569833
Synonyms: 6-(4-benzylpiperidin-1-yl)-2-(morpholin-4-yl)-5-nitropyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)N1CCOCC1

STK569835
Synonyms: N-[(3Z)-6-methyl-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]tetrahydrofuran-2-carboxamide
Smiles: CC(Cn1[nH]/c(=N\C(=O)C2CCCO2)/c2c1nc1ccc(cc1c2)C)C

STK569836
Synonyms: {2-(2-fluorophenyl)-1-(4-methylphenyl)-4-[(4-methylphenyl)ammonio]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}acetate
Smiles: Cc1ccc(cc1)[NH2+]C1=C(CC(=O)[O-])C(N(C1=O)c1ccc(cc1)C)c1ccccc1F

STK569842
Synonyms: 2-[(4-fluorophenyl)amino]-6-methyl-5-(3-methylbutyl)pyrimidin-4-ol
Smiles: CC(CCc1c(C)nc(nc1O)Nc1ccc(cc1)F)C

STK569847
Synonyms: 4-{[(E)-anthracen-9-ylmethylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1c2ccccc2cc2c1cccc2)c1[nH]nc2c1CCC2

STK569849
Synonyms: N-[(2E)-3-cyano-1-(3-ethoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-methyl-3-nitrobenzamide
Smiles: CCOCCCn1/c(=N/C(=O)c2cccc(c2C)[N+](=O)[O-])/c(C#N)cc2c1nc1ccccn1c2=O

STK569853
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]-3,4,5-triethoxybenzamide
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)/N=c/1\c(C#N)cc2c(n1Cc1ccco1)nc1n(c2=O)cccc1C

STK569854
Synonyms: ethyl(2Z)-5-oxo-1-[3-(propan-2-yloxy)propyl]-2-{[(3,4,5-triethoxyphenyl)carbonyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cc(OCC)c(c(c1)OCC)OCC)CCCOC(C)C)nc1n(c2=O)cccc1

STK569858
Synonyms: 2-[(furan-2-ylmethyl)amino]-6-methyl-5-pentylpyrimidin-4-ol
Smiles: CCCCCc1c(C)nc(nc1O)NCc1ccco1

STK569860
Synonyms: 4-(4-methylpiperidin-1-yl)-2-phenyl[1]benzofuro[3,2-d]pyrimidine
Smiles: CC1CCN(CC1)c1nc(nc2c1oc1c2cccc1)c1ccccc1

STK569876
Synonyms: 2-(4-benzylpiperidin-1-yl)-6-(morpholin-4-yl)-5-nitropyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCOCC1)N1CCC(CC1)Cc1ccccc1

STK569878
Synonyms: N-[(2Z)-5-[2-(piperidin-1-yl)ethyl]-1,3,4-thiadiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)/N=c\1/[nH]nc(s1)CCN1CCCCC1

STK569884
Synonyms: 3-(4-bromophenyl)-7-[(2,4-dichlorobenzyl)oxy]-4H-chromen-4-one
Smiles: Brc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OCc1ccc(cc1Cl)Cl

STK569885
Synonyms: 2-[4-(4-chloro-3-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Oc2ccc(c(c2)C)Cl)c2c(n1)cccc2

STK569886
Synonyms: N-(1,3-benzodioxol-5-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1COc1ccc(cc1)C

STK569891
Synonyms: ethyl(2Z)-10-methyl-5-oxo-1-pentyl-2-{[(3,4,5-trimethoxyphenyl)carbonyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCCCCn1/c(=N\C(=O)c2cc(OC)c(c(c2)OC)OC)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK569893
Synonyms: (2Z)-3-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1cc(ccc1OCc1ccc(cc1)Br)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STK569896
Synonyms: 2-(4-chlorophenoxy)-N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
Smiles: O=C(Nc1nn2c(=NC(=O)CC2c2ccccc2)[nH]1)COc1ccc(cc1)Cl

STK569907
Synonyms: 2-ethyl-4-(4-ethylpiperazin-1-yl)[1]benzofuro[3,2-d]pyrimidine
Smiles: CCN1CCN(CC1)c1nc(CC)nc2c1oc1c2cccc1

STK569921
Synonyms: 4-{[(E)-(3-hydroxyphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)c1ccccc1

STK569925
Synonyms: (2E)-N~4~-(3,4-dimethylphenyl)-2-[(3-fluorophenyl)imino]-5-nitro-1,2-dihydropyrimidine-4,6-diamine
Smiles: Fc1cccc(c1)/N=c\1/nc(Nc2ccc(c(c2)C)C)c(c([nH]1)N)[N+](=O)[O-]

STK569927
Synonyms: (5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-3-(morpholin-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)N1CCOCC1

STK569944
Synonyms: N-[(3Z)-1,8-dimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]furan-2-carboxamide
Smiles: O=C(c1ccco1)/N=c/1\[nH]n(c2c1cc1cccc(c1n2)C)C

STK569946
Synonyms: tert-butyl(3-{(2E)-2-[(2,4-dihydroxy-6-methylpyrimidin-5-yl)methylidene]hydrazinyl}-3-oxopropyl)carbamate(non-preferredname)
Smiles: O=C(N/N=C/c1c(C)nc(nc1O)O)CCNC(=O)OC(C)(C)C

STK569952
Synonyms: ethyl(2Z)-2-{[(4-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1ccc(c(c1)[N+](=O)[O-])C)CCCOC(C)C)nc1n(c2=O)cccc1

STK569955
Synonyms: 3-[5-(4-methoxybenzyl)-1,2,4-oxadiazol-3-yl]-7-methylquinolin-2(1H)-one
Smiles: COc1ccc(cc1)Cc1onc(n1)c1cc2ccc(cc2[nH]c1=O)C

STK569958
Synonyms: (2E,5Z)-2-{[4-chloro-2-(trifluoromethyl)phenyl]imino}-5-(3-ethoxy-4-hydroxybenzylidene)-1,3-thiazolidin-4-one
Smiles: CCOc1cc(ccc1O)/C=C/1\S/C(=N/c2ccc(cc2C(F)(F)F)Cl)/NC1=O

STK847450
Synonyms: 6-{[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}pyridazin-3(2H)-one
Smiles: O=c1ccc(n[nH]1)Oc1nc(nc(n1)N1CCOCC1)N1CCOCC1

STK569965
Synonyms: (2Z)-2-[(3,5-dimethylphenyl)imino]-7-(furan-2-yl)-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: Cc1cc(C)cc(c1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccco1

STK569968
Synonyms: 4-(4-benzylpiperazin-1-yl)-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)Cc2ccccc2)/s1)C

STK569975
Synonyms: 2-({5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
Smiles: NC(=O)CSc1nnc(o1)[C@@H](N)C

STK569976
Synonyms: N-tert-butyl-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]acetamide
Smiles: CC(=O)N(C(C)(C)C)Cc1cc2cccc(c2[nH]c1=O)C

STK847451
Synonyms: N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(propan-2-yl)propanamide
Smiles: CCC(=O)N(C(C)C)Cc1cc2ccccc2[nH]c1=O

STK569980
Synonyms: 3-{[(2Z)-6-[(3-carboxyphenyl)amino]pyrimidin-2(1H)-ylidene]amino}benzoicacid
Smiles: OC(=O)c1cccc(c1)Nc1ccn/c(=N\c2cccc(c2)C(=O)O)/[nH]1

STK569986
Synonyms: (5E)-2,6-dioxo-1-phenyl-5-{1-[(pyridinium-3-ylmethyl)amino]propylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)[O-])/NCc1ccc[nH+]c1

STK569990
Synonyms: ethyl(2Z)-1-(2-methoxyethyl)-10-methyl-5-oxo-2-{[(3,4,5-triethoxyphenyl)carbonyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: COCCn1/c(=N\C(=O)c2cc(OCC)c(c(c2)OCC)OCC)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK569991
Synonyms: 4-(1,3-dimethyl-2,4-dioxo-7-phenyl-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-9-ium-8-yl)phenolate
Smiles: [O-]c1ccc(cc1)n1c(cn2c1[nH+]c1c2c(=O)n(c(=O)n1C)C)c1ccccc1

STK569994
Synonyms: 2-(furan-2-yl)-12-(4-methoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: COc1ccc(cc1)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)c1ccco1)[O-]

STK569995
Synonyms: N-[(2Z)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-methylbutanamide
Smiles: COc1ccc(cc1)Cc1n[nH]/c(=N/C(=O)CC(C)C)/s1

STK569996
Synonyms: ethyl(2Z)-2-{[(2-bromophenyl)carbonyl]imino}-1-(3-ethoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOCCCn1/c(=N\C(=O)c2ccccc2Br)/c(cc2c1nc1ccccn1c2=O)C(=O)OCC

STK570003
Synonyms: N-(3-methylphenyl)-N'-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: CC(Cc1n[nH]/c(=N\C(=O)CCC(=O)Nc2cccc(c2)C)/s1)C

STK570007
Synonyms: 4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3-[2-(morpholin-4-yl)ethyl]-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one
Smiles: COc1ccc(cc1)C1C2=C(Oc3c1c(=N)n(cn3)CCN1CCOCC1)CC(CC2=O)(C)C

STK570017
Synonyms: 2-methyl-7-(morpholin-4-yl)hepta-3,5-diyn-2-ol
Smiles: CC(C#CC#CCN1CCOCC1)(O)C

STK570024
Synonyms: (5Z)-1-cyclopropyl-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)C1CC1)S

STK570028
Synonyms: ethyl5-(acetyloxy)-6-bromo-1-(4-bromophenyl)-2-[(carbamimidoylsulfanyl)methyl]-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(CSC(=N)N)n(c2c1cc(OC(=O)C)c(c2)Br)c1ccc(cc1)Br

STK570030
Synonyms: (5E)-5-{[(2-hydroxyethyl)amino]methylidene}-1-(naphthalen-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: OCCN/C=C/1\C(=O)N=C(N(C1=O)c1cccc2c1cccc2)S

STK570035
Synonyms: ethyl1-({(6Z)-4-amino-6-[(4-methoxyphenyl)imino]-1,6-dihydro-1,3,5-triazin-2-yl}methyl)piperidine-3-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)Cc1nc(N)n/c(=N\c2ccc(cc2)OC)/[nH]1

STK801757
Synonyms: 7-chloro-5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole
Smiles: CC1CCN(CC1)c1cc(Cl)c2c(c1[N+](=O)[O-])non2

STK570055
Synonyms: 3-{[(3-methylphenyl)amino]methyl}quinolin-2(1H)-one
Smiles: Cc1cccc(c1)NCc1cc2ccccc2[nH]c1=O

STK570057
Synonyms: tert-butyl(6-{(2E)-2-[(2-methyl-2H-chromen-3-yl)methylidene]hydrazinyl}-6-oxohexyl)carbamate
Smiles: O=C(N/N=C/C1=Cc2ccccc2OC1C)CCCCCNC(=O)OC(C)(C)C

STK570062
Synonyms: 3-(3,5-dimethyl-1H-pyrazol-2-ium-4-yl)propanoate
Smiles: [O-]C(=O)CCc1c(C)[nH][nH+]c1C

STK570065
Synonyms: 11-hydroxy-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-9H-indeno[1,2-b]quinolin-9-one
Smiles: COc1ccc(c(c1OC)OC)C1C2=C(CCCC2=O)N=C2C1=C(O)c1c2cccc1

STK570070
Synonyms: (2Z)-6-[(4-chlorobenzyl)oxy]-2-(pyridin-4-ylmethylidene)-1-benzofuran-3(2H)-one
Smiles: Clc1ccc(cc1)COc1ccc2c(c1)O/C(=C\c1ccncc1)/C2=O

STK570071
Synonyms: 3-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-8-methylquinolin-2(1H)-one
Smiles: COc1cc(OC)cc(c1)c1onc(n1)c1cc2cccc(c2[nH]c1=O)C

STK570077
Synonyms: 6-hydroxy-7-(2-hydroxyethyl)-8-[(3-hydroxypropyl)amino]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCn1c(NCCCO)nc2c1c(O)nc(=O)n2C

STK570078
Synonyms: N-[(2E)-3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-methyl-3-nitrobenzamide
Smiles: CCCCCn1/c(=N/C(=O)c2ccc(c(c2)[N+](=O)[O-])C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK570081
Synonyms: 4-(azepan-1-yl)-2-(pyridin-2-yl)quinazoline
Smiles: C1CCCN(CC1)c1nc(nc2c1cccc2)c1ccccn1

STK570083
Synonyms: 5-(2-methoxyphenyl)-4-{[(E)-(3-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1cccc(c1)[N+](=O)[O-]

STK570085
Synonyms: 7-(3,4-dichlorophenyl)-3-(3-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1cccc(c1)c1nnc2n1cnc1c2cnn1c1ccc(c(c1)Cl)Cl

STK570087
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
Smiles: Clc1ccc(cc1)CSc1nnc(o1)[C@@H]1CCCN1

STK801758
Synonyms: 6'-fluoro-4'-methyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline]
Smiles: Fc1ccc2c(c1)C(C)CC1(N2)CCCC1

STK570091
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: c1ccc(cc1)c1nc(NCCCn2cncc2)c2c(n1)c1ccccc1o2

STK570094
Synonyms: 4-(3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoate
Smiles: [O-]C(=O)c1ccc(cc1)N1C(=O)CC(C1=O)[NH+]1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

STK570105
Synonyms: 2-(benzylsulfanyl)-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
Smiles: C1CN[C@@H](C1)c1nnc(o1)SCc1ccccc1

STK570114
Synonyms: 2-bromo-6-methoxy-4-{(E)-[2-(morpholin-4-ium-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}phenolate
Smiles: COc1cc(/C=C\2/SC(=NC2=O)[NH+]2CCOCC2)cc(c1[O-])Br

STK570115
Synonyms: 4-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(ccc1O)/C=N/n1c(=S)[nH]nc1c1[nH]nc2c1CCC2

STK570116
Synonyms: 2-({5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(2,3-dimethylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nnc(o1)[C@H](Cc1ccccc1)N

STK570126
Synonyms: (E)-[4-(dimethylsulfamoyl)phenyl]{2-(2-fluorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccccc1F)CCC[NH+]1CCOCC1)/c1ccc(cc1)S(=O)(=O)N(C)C

STK570129
Synonyms: ethyl(2Z)-5-oxo-1-[3-(propan-2-yloxy)propyl]-2-{[(3,4,5-trimethoxyphenyl)carbonyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cc(OC)c(c(c1)OC)OC)CCCOC(C)C)nc1n(c2=O)cccc1

STK570137
Synonyms: methylN-[(4-phenylpiperazin-1-yl)carbonyl]-L-phenylalaninate
Smiles: COC(=O)[C@@H](NC(=O)N1CCN(CC1)c1ccccc1)Cc1ccccc1

STK847460
Synonyms: 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methylquinolin-2(1H)-one
Smiles: CCc1onc(n1)c1cc2cc(C)ccc2[nH]c1=O

STK847461
Synonyms: 2-ethyl-N-(pyridin-3-ylmethyl)[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: CCc1nc(NCc2cccnc2)c2c(n1)c1ccccc1o2

STK847462
Synonyms: 3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-7-methylquinolin-2(1H)-one
Smiles: COCc1onc(n1)c1cc2ccc(cc2[nH]c1=O)C

STK570158
Synonyms: 2-methyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]-1H-benzimidazol-1-amine
Smiles: [O-][N+](=O)c1ccc(s1)/C=N/n1c(C)nc2c1cccc2

STK570161
Synonyms: (2E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: Clc1ccc(c(c1)c1ccc(o1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C)C

STK570178
Synonyms: 2,3-dihydro-1H-indol-1-yl(6-fluoro-2-methylquinolin-4-yl)methanone
Smiles: Fc1ccc2c(c1)c(cc(n2)C)C(=O)N1CCc2c1cccc2

STK570185
Synonyms: (1Z,2E)-1-{2-[4-(methoxycarbonyl)phenyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(\C=C\c2ccccc2)/[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

STK570187
Synonyms: 4-methyl-1-(pentan-3-yl)-1H-pyrazolo[3,4-b]pyridine-3,6-diol
Smiles: CCC(n1nc(c2c1nc(O)cc2C)O)CC

STK570193
Synonyms: N-cyclohexyl-1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-prolinamide
Smiles: O=C([C@@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)NC1CCCCC1

STK570194
Synonyms: N-[(2Z)-3-[(3-acetylphenyl)amino]quinoxalin-2(1H)-ylidene]-4-fluorobenzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc(c1)C(=O)C

STK570200
Synonyms: N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-(4-cyclopentylpiperazin-1-yl)-4-oxobutanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C1CCCCC1)CCC(=O)N1CCN(CC1)C1CCCC1

STK570208
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)N/N=C/C=C/c1ccccc1

STK570222
Synonyms: 4-{(5Z)-4-oxo-2-thioxo-5-[4-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C\c2ccc(cc2)C(F)(F)F)/C1=O

STK570233
Synonyms: 8-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-6-hydroxy-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(N/N=C/c2ccc(cc2)F)nc2c1c(O)nc(=O)n2C)COc1ccccc1

STK570238
Synonyms: 4-(2-{(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoicacid
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cccn2c2ccc(cc2)C(=O)O)/C1=O)S

STK570240
Synonyms: 2-methoxy-6-[(E)-{2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]hydrazinylidene}methyl]phenylacetate
Smiles: COc1cccc(c1OC(=O)C)/C=N/NC(=O)Cn1nc(cc1C)[N+](=O)[O-]

STK570241
Synonyms: (5E)-1-(4-chlorophenyl)-2,6-dioxo-5-{1-[(pyridinium-3-ylmethyl)amino]ethylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCc2ccc[nH+]c2)/C)/C1=O)[O-]

STK570245
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: COc1cc(CCNC(=O)CCC(=O)/N=c/2\[nH]nc(s2)C(C)C)ccc1OC

STK570247
Synonyms: N-(4-methylphenyl)-1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-prolinamide
Smiles: Cc1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK570249
Synonyms: 4-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STK570251
Synonyms: N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]naphthalene-1-carboxamide
Smiles: Cc1n[nH]/c(=N\C(=O)c2cccc3c2cccc3)/s1

STK570261
Synonyms: 4-{[(E)-(3-hydroxyphenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)C

STK570268
Synonyms: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
Smiles: O=C(CN1C(=O)c2c(C1=O)cccc2)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccccc1

STK570278
Synonyms: methylN-[(2,5-dimethoxyphenyl)carbamoyl]-D-alaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1cc(OC)ccc1OC)C

STK570279
Synonyms: N-[(2E)-6-(morpholin-4-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: O=C(C1CCCO1)/N=c/1\[nH]c2c(s1)cc(cc2)S(=O)(=O)N1CCOCC1

STK570281
Synonyms: (5E)-5-{[1-(3-chloropropyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-1-cyclopropyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: ClCCCN1CCc2c1ccc(c2)/C=C/1\C(=O)N=C(N(C1=O)C1CC1)S

STK570287
Synonyms: ethyl{6-hydroxy-2-[N'-(naphthalen-2-yl)carbamimidamido]pyrimidin-4-yl}acetate
Smiles: CCOC(=O)Cc1nc(NC(=N)Nc2ccc3c(c2)cccc3)nc(c1)O

STK847468
Synonyms: (5Z)-5-(2,4-dimethoxybenzylidene)-3-(morpholin-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)N1CCOCC1

STK570292
Synonyms: 5-(benzyloxy)-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1cn[nH]c1c1ccc(cc1O)OCc1ccccc1

STK570314
Synonyms: 3-(3,4-dimethoxyphenyl)-5-(5-methoxy-2-methyl-4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1ccc(cc1OC)C1=NOC2C1C(=O)N(C2=O)c1cc(OC)c(cc1C)[N+](=O)[O-]

STK570315
Synonyms: 3-(2-chlorophenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
Smiles: Nn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccccc1Cl

STK847471
Synonyms: 2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N)nnc1c1cccc(c1)C

STK570317
Synonyms: methyl4-[(5-{2-hydroxy-4-[(4-nitrobenzyl)oxy]phenyl}-1H-pyrazol-4-yl)oxy]benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1cn[nH]c1c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]

STK570319
Synonyms: 2-{[(2E)-6-ethyl-4-methylquinazolin-2(1H)-ylidene]amino}-7-(furan-2-yl)-7,8-dihydroquinazolin-5(6H)-one
Smiles: CCc1ccc2c(c1)c(C)n/c(=N/c1ncc3c(n1)CC(CC3=O)c1ccco1)/[nH]2

STK570321
Synonyms: (5Z)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccncc2)C)/C1=O)S

STK847473
Synonyms: 5-phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-imine
Smiles: N=C1SCC(=NN1)c1ccccc1

STK847474
Synonyms: 1-(2,1,3-benzothiadiazol-4-yl)-3-phenylurea
Smiles: O=C(Nc1cccc2c1nsn2)Nc1ccccc1

STK847475
Synonyms: 4-oxo-3-[4-(propoxycarbonyl)phenoxy]-4H-chromen-7-ylmorpholine-4-carboxylate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)N1CCOCC1

STK570341
Synonyms: 2-ethoxy-4-{(E)-[5-iminio-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenolate
Smiles: CCOc1cc(ccc1[O-])/C=C\1/C(=O)N=c2n(C1=[NH2+])nc(s2)C(CC)CC

STK570345
Synonyms: N-butyl-4-chloro-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: CCCCN(C(=O)c1ccc(cc1)Cl)Cc1cc2cc(C)ccc2[nH]c1=O

STK847476
Synonyms: N-[(2E)-6-(ethylsulfamoyl)-1,3-benzothiazol-2(3H)-ylidene]pyridine-3-carboxamide
Smiles: CCNS(=O)(=O)c1ccc2c(c1)s/c(=N/C(=O)c1cccnc1)/[nH]2

STK570360
Synonyms: 4-{[(3Z)-3-{[(4-fluorophenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}benzoicacid
Smiles: Fc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(cc1)C(=O)O

STK570363
Synonyms: 2-[4-(3,4-dimethylphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: [O-]c1ccccc1c1nc(Oc2ccc(c(c2)C)C)c2c([nH+]1)cccc2

STK570375
Synonyms: N-ethyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-2-carboxamide
Smiles: CCN(C(=O)c1ccccn1)Cc1cc2cc(C)ccc2[nH]c1=O

STK570381
Synonyms: 2-(4-benzylpiperazin-1-yl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-amine
Smiles: CC1OC(C)CN(C1)c1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1

STK847479
Synonyms: 6-(2,6-dimethylmorpholin-4-yl)-N~2~-(3-methylbutyl)-5-nitropyrimidine-2,4-diamine
Smiles: CC(CCNc1nc(N2CC(C)OC(C2)C)c(c(n1)N)[N+](=O)[O-])C

STK570382
Synonyms: 2,2'-{[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methanediyl}bis(5,5-dimethylcyclohexane-1,3-dione)
Smiles: COc1ccc(cc1CN1CCOCC1)C(C1C(=O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

STK847480
Synonyms: (2E)-2-(4-hydroxyquinazolin-2-yl)-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(o1)c1cccc(c1)C(F)(F)F)/c1nc(O)c2c(n1)cccc2

STK570387
Synonyms: 3-(2-ethoxyphenoxy)-7-[(4-methoxybenzyl)oxy]-4H-chromen-4-one
Smiles: CCOc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)OC

STK570398
Synonyms: 3-chloro-N-[(2Z)-3-[(4-methoxyphenyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: COc1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc(c1)Cl

STK570406
Synonyms: 4-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)Cc2ccc(cc2C)C)/s1

STK570408
Synonyms: 4-hydroxy-1-methyl-9-(4-phenoxyphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2(1H)-one
Smiles: Oc1nc(=O)n(c2c1n1CCCN(c1n2)c1ccc(cc1)Oc1ccccc1)C

STK570409
Synonyms: 4-[3-(4-methoxyphenoxy)prop-1-yn-1-yl]-1-methylpiperidin-4-ylpropanoate
Smiles: CCC(=O)OC1(CCN(CC1)C)C#CCOc1ccc(cc1)OC

STK570411
Synonyms: N-[(2E)-3-cyano-1-(3-ethoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-methyl-3-nitrobenzamide
Smiles: CCOCCCn1/c(=N/C(=O)c2ccc(c(c2)[N+](=O)[O-])C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK570412
Synonyms: N-[(2Z)-3-(benzylamino)quinoxalin-2(1H)-ylidene]-3-chlorobenzenesulfonamide
Smiles: Clc1cccc(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1NCc1ccccc1

STK570419
Synonyms: (5E)-5-(1-{[3-(morpholin-4-ium-4-yl)propyl]amino}propylidene)-2,6-dioxo-1-phenyl-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)[O-])/NCCC[NH+]1CCOCC1

STK570422
Synonyms: 1-cycloheptyl-4-(3-nitrophenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
Smiles: OC1=Nc2c(C(SC1)c1cccc(c1)[N+](=O)[O-])c(nn2C1CCCCCC1)O

STK570424
Synonyms:
Smiles: O=S(=O)(c1cccc2c1nsn2)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(cc1)OCc1ccccc1

STK570430
Synonyms: 5-{1-[(3,5-dimethoxybenzyl)amino]ethylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(CNC(=C2C(=O)N(C)C(=O)N(C2=O)C)C)cc(c1)OC

STK570431
Synonyms: N-{(2E)-3-cyano-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene}-4-nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)[N+](=O)[O-])CCCOC(C)C)nc1n(c2=O)cccc1

STK570437
Synonyms: 2-tert-butyl4-ethyl5-({(Z)-2-cyano-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2cc3ccccc3oc2=O)/C#N)sc(c1C)C(=O)OC(C)(C)C

STK570439
Synonyms: 3-{[(3Z)-3-{[(2,5-dimethylphenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}benzoicacid
Smiles: Cc1ccc(c(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc(c1)C(=O)O)C

STK570443
Synonyms: 3-amino-N-(5-chloro-2-methoxyphenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1NC(=O)c1sc2c(c1N)ccc(n2)c1ccco1)Cl

STK570452
Synonyms: N-(4-methylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]thiophene-2-carboxamide
Smiles: Cc1ccc(cc1)N(C(=O)c1cccs1)Cc1cc2ccccc2[nH]c1=O

STK570455
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCCn1c[nH+]cc1)/[O-]

STK570456
Synonyms: 3-(4-fluorophenyl)-6-hydroxy-6'-methoxy-1'-methyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: COc1ccc2c(c1)CC1(CN2C)C(=NC(=O)N(C1=O)c1ccc(cc1)F)O

STK570468
Synonyms: N-{4-amino-6-[(4-chlorophenyl)amino]-5-nitropyrimidin-2-yl}glycine
Smiles: OC(=O)CNc1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-]

STK570471
Synonyms: (1S)-1-{5-[(3-chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-(1H-indol-3-yl)ethanamine
Smiles: Clc1cccc(c1)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STK570477
Synonyms: 3-(6,6-dimethyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-1-ium-3-yl)phenolate
Smiles: [O-]c1cccc(c1)c1n[nH+]c2n1CC(S2)(C)C

STK570479
Synonyms: 5-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(Cl)c(cc1N1C(=O)C2C(C1=O)C(=NO2)c1ccc(cc1)Cl)C

STK570480
Synonyms: N'-[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]-2-hydroxybenzohydrazide
Smiles: CC/C(=C/1\C(=NC(=NC1=O)O)O)/NNC(=O)c1ccccc1O

STK570487
Synonyms: (1S)-1-{5-[(3,4-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-(1H-indol-3-yl)ethanamine
Smiles: N[C@H](c1nnc(o1)SCc1ccc(c(c1)Cl)Cl)Cc1c[nH]c2c1cccc2

STK570489
Synonyms: 4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoicacid
Smiles: OC1=NC(=O)/C(=C(\Nc2ccc(cc2)C(=O)O)/C)/C(=N1)O

STK570491
Synonyms: 1-(3,4-dihydroxyphenyl)-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: CCn1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1cccc(c1)C

STK570494
Synonyms: (5E)-1-ethyl-5-[(1-ethyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)CC)/C1=O)S

STK570495
Synonyms: methyl2-[(3E)-3-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(c2cccnc2)/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\O)/C(=O)C1=O

STK570501
Synonyms: 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone
Smiles: CCn1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1ccc(cc1)C(C)(C)C

STK847485
Synonyms: 8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)Oc1ccc(cc1)OC)C(F)(F)F

STK570505
Synonyms: 6-hydroxy-8-[(2E)-2-(3-hydroxybenzylidene)hydrazinyl]-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCn1c(N/N=C/c2cccc(c2)O)nc2c1c(O)nc(=O)n2C

STK570524
Synonyms: N-[(3Z)-1-ethyl-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-3,4-dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)/N=c/1\[nH]n(c2c1cc1cc(C)ccc1n2)CC

STK847490
Synonyms: 2-ethyl-4-(morpholin-4-yl)[1]benzofuro[3,2-d]pyrimidine
Smiles: CCc1nc(N2CCOCC2)c2c(n1)c1ccccc1o2

STK570528
Synonyms: 2-methyl-N-(propan-2-yl)[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: CC(Nc1nc(C)nc2c1oc1c2cccc1)C

STK570529
Synonyms: tert-butyl[4-(5-{[(2,4-dihydroxy-6-methylpyrimidin-5-yl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)butyl]carbamate
Smiles: O=C(OC(C)(C)C)NCCCCc1nnc(o1)SCc1c(C)nc(nc1O)O

STK570531
Synonyms: 2-(1',2,3'-trioxo-1,1',2,3',3a',6',7',8',8a',8b'-decahydro-2'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizin]-2'-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cccc2

STK570535
Synonyms: (2Z)-3-(4-bromophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: Brc1ccc(cc1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STK570539
Synonyms: ethyl3-({[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl}amino)benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)N[C@H](C(=O)OC)C

STK570542
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethylphenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCc1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N

STK570548
Synonyms: 3-{[(2E,5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoicacid
Smiles: COc1ccc(c(c1)/C=C\1/S/C(=N/c2cccc(c2)C(=O)O)/NC1=O)OC

STK570552
Synonyms: 4-methoxy-N-[(6E)-8-methyl[1,3]dioxolo[4,5-g]quinazolin-6(5H)-ylidene]aniline
Smiles: COc1ccc(cc1)/N=c\1/nc(C)c2c([nH]1)cc1c(c2)OCO1

STK570555
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCC(c1ccccc1)c1ccccc1)C

STK570556
Synonyms: 4-ethyl2-methyl5-({(Z)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2cccc(c2)[N+](=O)[O-])/C#N)sc(c1C)C(=O)OC

STK570559
Synonyms: (5E)-5-{1-[(2,4-dimethoxyphenyl)amino]ethylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: COc1ccc(c(c1)OC)N/C(=C/1\C(=NC(=NC1=O)O)O)/C

STK570560
Synonyms: N-[(2Z)-3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}quinoxalin-2(1H)-ylidene]-3,4-dimethylbenzenesulfonamide
Smiles: Cc1ccc(cc1C)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1NCCC1=CCCCC1

STK570563
Synonyms: (2-oxo-1,2-dihydroquinolin-3-yl)methyl3,4,5-trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)OCc1cc2ccccc2[nH]c1=O

STK570564
Synonyms: methylN-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)NCCc1ccccc1F

STK570566
Synonyms: (2Z)-2-(2-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl3-nitrobenzoate
Smiles: O=C1/C(=C/c2ccccc2F)/Oc2c1ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK570567
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NC1CCCc2c1cccc2)C

STK847493
Synonyms: N-[(2Z)-5-(4-chlorobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]furan-2-carboxamide
Smiles: Clc1ccc(cc1)Cc1n[nH]/c(=N/C(=O)c2ccco2)/s1

STK570570
Synonyms: 4-tert-butyl-N-ethyl-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: CCN(C(=O)c1ccc(cc1)C(C)(C)C)Cc1cc2cccc(c2[nH]c1=O)C

STK570573
Synonyms: 7-[(2-chloro-4-fluorobenzyl)oxy]-3-(3,4-dimethoxyphenyl)-2-methyl-4H-chromen-4-one
Smiles: COc1cc(ccc1OC)c1c(C)oc2c(c1=O)ccc(c2)OCc1ccc(cc1Cl)F

STK570589
Synonyms: (5E)-5-(1-{[3-(morpholin-4-ium-4-yl)propyl]amino}ethylidene)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCCC[NH+]2CCOCC2)/C)/C1=O)[O-]

STK570595
Synonyms: 2-{5-[(2,6-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
Smiles: NCCc1nnc(o1)SCc1c(Cl)cccc1Cl

STK570601
Synonyms: N-[(3E)-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]tetrahydrofuran-2-carboxamide
Smiles: CC(Cn1[nH]/c(=N/C(=O)C2CCCO2)/c2c1nc1ccccc1c2)C

STK570604
Synonyms: ethyl(2Z)-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCCCCn1/c(=N\C(=O)c2cccc(c2C)[N+](=O)[O-])/c(cc2c1nc1ccccn1c2=O)C(=O)OCC

STK570612
Synonyms: {[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)[O-])[nH+]nc1c1ccc(cc1)OC

STK570613
Synonyms: 8-(benzylamino)-6-hydroxy-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCn1c(NCc2ccccc2)nc2c1c(O)nc(=O)n2C

STK570615
Synonyms: 4-chloro-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]-N-phenylbenzamide
Smiles: Clc1ccc(cc1)C(=O)N(c1ccccc1)Cc1cc(=O)[nH]c2c1cccc2

STK570618
Synonyms: (5E)-5-{1-[(4-fluorophenyl)amino]ethylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C(/Nc2ccc(cc2)F)\C)/C(=N1)O