Chemical compounds for High-Throughput screening and
Building Blocks for Combinatorial chemistry

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STK529262
Synonyms: 8- methoxy- 4- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cccc(c1)C(F)(F)F

STK834747
Synonyms: (2E)- 3- [(3- butoxyphenyl)amino]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1cccc(c1)[N+](=O)[O-])\C#N

STK529265
Synonyms: ethyl3- [(E)- (3,3- dimethylpiperidin- 1- yl)diazenyl]- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/N=N/N1CCCC(C1)(C)C)cc(cc2)OC

STK529267
Synonyms: (2Z)- 3- [(3,5- dichlorophenyl)amino]- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: COc1ccc(cc1)c1csc(n1)/C(=C\Nc1cc(Cl)cc(c1)Cl)/C#N

STK529269
Synonyms: 5- pentyl- 3- [(5- sulfanyl- 4H- 1,2,4- triazol- 3- yl)methyl]dihydrofuran- 2(3H)- one
Smiles: CCCCCC1OC(=O)C(C1)Cc1nnc([nH]1)S

STK529271
Synonyms: ethyl{[1,3- dimethyl- 7- (2- methylprop- 2- en- 1- yl)- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c(n1CC(=C)C)c(=O)n(c(=O)n2C)C

STK834752
Synonyms: (2Z)- 3- [(2- methylphenyl)amino]- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccccc1C)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK529274
Synonyms: 1- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)- 2- (4- phenylpiperazin- 1- yl)ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCN(CC1)c1ccccc1)O)c(n2C)C

STK834753
Synonyms: 2- amino- 4- (2,3- dichlorophenyl)- 5- oxo- 5,6- dihydro- 4H- pyrano[3,2- c]quinoline- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1Cl)Cl)c(=O)[nH]c1c2cccc1

STK834757
Synonyms: (2E)- 3- [(3- chloro- 4- methylphenyl)amino]- 2- [4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)C)/c1scc(n1)c1ccc(cc1)F

STK834758
Synonyms: 3- [(E)- 2- phenylethenyl]- 5- (trifluoromethyl)- 1H- pyrazole
Smiles: FC(c1[nH]nc(c1)/C=C/c1ccccc1)(F)F

STK529279
Synonyms: [(3- methyl- 2',6'- dinitro- 4'H- spiro[cyclohepta[d][1,3]thiazol- 3- ium- 2,1'- cyclohexa[2,5]dien]- 4'- ylidene)(oxido)- lambda~5~- azanyl]oxidanide
Smiles: [O-][N+](=C1C=C([N+](=O)[O-])C2(C(=C1)[N+](=O)[O-])SC1=CC=CC=CC1=[N+]2C)[O-]

STK834761
Synonyms: (2Z)- 3- [(2,5- dichlorophenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)ccc1Cl)/c1scc(n1)c1cc2ccccc2oc1=O

STK834762
Synonyms: (2E)- 3- [(2- fluorophenyl)amino]- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1F)/c1scc(n1)c1ccc(cc1)OC

STK529288
Synonyms: (2E)- 3- [(4- butoxyphenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCCCOc1ccc(cc1)N/C=C(/c1scc(n1)c1cc2ccccc2oc1=O)\C#N

STK834766
Synonyms: 3- bromo- N- {4- [(3- methylbutanoyl)sulfamoyl]phenyl}benzamide
Smiles: CC(CC(=O)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cccc(c1)Br)C

STK834767
Synonyms: 2- {[2- (3,4- dichlorophenyl)- 2- oxoethyl]sulfanyl}- 4,6- dimethylpyridine- 3- carbonitrile
Smiles: N#Cc1c(C)cc(nc1SCC(=O)c1ccc(c(c1)Cl)Cl)C

STK529290
Synonyms: 8- (ethylsulfanyl)- 7- hexadecyl- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCCCCCCCCCn1c(SCC)nc2c1c(=O)[nH]c(=O)n2C

STK834768
Synonyms: 1- (9H- carbazol- 9- yl)- 3- (3,5- dimethyl- 1H- pyrazol- 1- yl)propan- 2- ol
Smiles: OC(Cn1c2ccccc2c2c1cccc2)Cn1nc(cc1C)C

STK529296
Synonyms: (2Z)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(4- ethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)CC)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK834770
Synonyms: 8- (benzylsulfanyl)- 7- [(2E)- but- 2- en- 1- yl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C/C=C/Cn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK834771
Synonyms: (2Z)- 3- [(2,5- dimethylphenyl)amino]- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(C)ccc1C)/c1scc(n1)c1ccc(cc1)OC

STK834773
Synonyms: 1- (benzyloxy)- 3- (morpholin- 4- yl)propan- 2- ol
Smiles: OC(CN1CCOCC1)COCc1ccccc1

STK834774
Synonyms: (2Z)- 2- [4- (6- nitro- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- (phenylamino)prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccccc1)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK834775
Synonyms: 8- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 7- [2- hydroxy- 3- (2- methylphenoxy)propyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c2c(=O)[nH]c(=O)n(c2nc1n1nc(cc1C)C)C)COc1ccccc1C

STK529301
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 1- (4- fluorophenyl)- 6- hydroxypyrimidine- 2,4(1H,3H)- dione
Smiles: COc1c(OC)ccc2c1C(=O)OC2c1c(=O)[nH]c(=O)n(c1O)c1ccc(cc1)F

STK529303
Synonyms: 1- (2- methyl- 1H- indol- 3- yl)- 2- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}ethanol
Smiles: OC(c1c(C)[nH]c2c1cccc2)CN1CCN(CC1)c1cccc(c1)C(F)(F)F

STK529304
Synonyms: (2E)- 2- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 3- [(4- iodophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)I)/c1scc(n1)c1ccc(cc1)CC

STK529309
Synonyms: 3- {[(E)- (4- hydroxyphenyl)methylidene]amino}- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: Oc1ccc(cc1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cccc1

STK529310
Synonyms: 8- [(2- hydroxypropyl)sulfanyl]- 3,7- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(CSc1nc2c(n1C)c(=O)[nH]c(=O)n2C)O

STK529312
Synonyms: 4- nitro- N'- phenyl- N'- (phenylcarbonyl)benzohydrazide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NN(C(=O)c1ccccc1)c1ccccc1

STK529317
Synonyms: 3- (2,3- dimethoxybenzyl)- 8- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1c(OC)cccc1Cn1cnc2c(c1=O)[nH]c1c2cc(cc1)C

STK834778
Synonyms: (2E)- 3- {[2- chloro- 5- (trifluoromethyl)phenyl]amino}- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(ccc1Cl)C(F)(F)F)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK529318
Synonyms: N- butyl- 1- ethyl- 6- fluoro- 7- (4- methylpiperazin- 1- yl)- 4- oxo- 1,4- dihydroquinoline- 3- carboxamide
Smiles: CCCCNC(=O)c1cn(CC)c2c(c1=O)cc(c(c2)N1CCN(CC1)C)F

STK529321
Synonyms: (2E)- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 3- [(2,4- dimethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C)C)/c1scc(n1)c1ccc(cc1)Br

STK529322
Synonyms: 1- [2- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)- 2- oxoethyl]piperidin- 4- one
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCC(=O)CC1)c(n2C)C

STK529325
Synonyms: methyl5- methyl- 3- {[(4- methylpiperidin- 1- yl)acetyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(CC1)C)cc(cc2)C

STK834780
Synonyms: 2- methyl- 7,7- bis(trifluoromethyl)- 6,7- dihydro- 5H- [1,3,4]thiadiazolo[3,2- a][1,3,5]triazin- 5- one
Smiles: FC(C1(NC(=O)n2c(=N1)sc(n2)C)C(F)(F)F)(F)F

STK529328
Synonyms: 2- (4- cyclohexylpiperazin- 1- yl)- 1- (1,2- dimethyl- 1H- indol- 3- yl)ethanone
Smiles: O=C(c1c(C)n(c2c1cccc2)C)CN1CCN(CC1)C1CCCCC1

STK834781
Synonyms: (2E)- 3- (naphthalen- 1- ylamino)- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc2c1cccc2)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK834782
Synonyms: N- [(E)- (4- fluorophenyl)methylidene]- 4- (9H- xanthen- 9- yl)aniline
Smiles: Fc1ccc(cc1)/C=N/c1ccc(cc1)C1c2ccccc2Oc2c1cccc2

STK834783
Synonyms: N- methyl- N'- (4- phenyl- 1,3- thiazol- 2- yl)ethanediamide
Smiles: CNC(=O)C(=O)Nc1scc(n1)c1ccccc1

STK529331
Synonyms: (2E)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- [(3,4- dichlorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)Cl)/c1scc(n1)c1ccc2c(c1)OCO2

STK529334
Synonyms: (2Z)- 3- [(2,5- dimethylphenyl)amino]- 2- [4- (3- oxo- 3H- benzo[f]chromen- 2- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(C)ccc1C)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

STK834787
Synonyms: (2Z)- 3- [(2,5- dichlorophenyl)amino]- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)ccc1Cl)/c1scc(n1)c1ccc(c(c1)OC)OC

STK529336
Synonyms: (2Z)- 2- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(2,3- dimethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1C)C)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK529339
Synonyms: N,N'- (9,10- dihydroanthracene- 9,10- diyldimethanediyl)bis(N- propylpropan- 1- amine)
Smiles: CCCN(CC1c2ccccc2C(c2c1cccc2)CN(CCC)CCC)CCC

STK529340
Synonyms: 2- (cyclohexylamino)- 3- [methyl(nitroso)amino]naphthalene- 1,4- dione
Smiles: O=NN(C1=C(NC2CCCCC2)C(=O)c2c(C1=O)cccc2)C

STK529341
Synonyms: 2- (2,4- dichlorophenyl)- N- (naphthalen- 1- yl)quinazolin- 4- amine
Smiles: Clc1ccc(c(c1)Cl)c1nc2ccccc2c(n1)Nc1cccc2c1cccc2

STK529344
Synonyms: 4- ({4- [(diphenylacetyl)amino]butanoyl}amino)butanoicacid
Smiles: O=C(NCCCC(=O)O)CCCNC(=O)C(c1ccccc1)c1ccccc1

STK529348
Synonyms: (2E)- 3- [(3- bromophenyl)amino]- 2- [4- (3- bromophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1cccc(c1)Br

STK834792
Synonyms: 3,3'- (2,4,6- trioxo- 1,3,5- triazinane- 1,3- diyl)dipropanenitrile
Smiles: N#CCCn1c(=O)[nH]c(=O)n(c1=O)CCC#N

STK529353
Synonyms: N- [(1,3- dioxo- 1,3- dihydro- 2H- inden- 2- ylidene)methyl]pentanamide
Smiles: CCCCC(=O)N/C=C/1\C(=O)c2c(C1=O)cccc2

STK529354
Synonyms: (2Z)- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]- 3- (3- iodophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1cccc(c1)I)/c1scc(n1)c1ccc(c(c1)OC)OC

STK834793
Synonyms: 8- (benzylsulfanyl)- 3- methyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK834794
Synonyms: (2E)- 3- [(2,4- dimethylphenyl)amino]- 2- [4- (4- ethoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccc(cc1C)C)/C#N

STK529356
Synonyms: 8- methyl- 4- [4- (4- nitrophenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STK529357
Synonyms: 9- (1- butoxyethyl)- 9H- carbazole
Smiles: CCCCOC(n1c2ccccc2c2c1cccc2)C

STK529361
Synonyms: chloro(dimorpholin- 4- ylphosphoryl)acetaldehyde
Smiles: O=CC(P(=O)(N1CCOCC1)N1CCOCC1)Cl

STK834795
Synonyms: 3,3'- [benzene- 1,4- diylbis(oxy)]bis[1- (3,5- dimethyl- 1H- pyrazol- 1- yl)propan- 2- ol]
Smiles: OC(Cn1nc(cc1C)C)COc1ccc(cc1)OCC(Cn1nc(cc1C)C)O

STK529363
Synonyms: N'- benzyl- 2- [4- (furan- 2- ylcarbonyl)piperazin- 1- yl]- N'- phenylacetohydrazide
Smiles: O=C(NN(c1ccccc1)Cc1ccccc1)CN1CCN(CC1)C(=O)c1ccco1

STK834797
Synonyms: 2- (furan- 2- yl)hexahydro- 1H- benzimidazole- 1,3(2H)- diol
Smiles: ON1C2CCCCC2N(C1c1ccco1)O

STK529367
Synonyms: 5- [(E)- (2- carbamothioylhydrazinylidene)methyl]- 2- oxo- 4- (pyridinium- 1- yl)- 1,3- thiazol- 3- ide
Smiles: NC(=S)N/N=C/c1sc(=O)[n-]c1[n+]1ccccc1

STK834798
Synonyms: 2,4- bis(2,4- dimethoxyphenyl)- 2- methyl- 2,3,4,5- tetrahydro- 1H- 1,5- benzodiazepine
Smiles: COc1ccc(c(c1)OC)C1Nc2ccccc2NC(C1)(C)c1ccc(cc1OC)OC

STK529369
Synonyms: 3- (cyclopropylcarbonyl)- 2- (2- methoxyphenyl)- 2,3- dihydroindolizine- 1,1,6(8aH)- tricarbonitrile
Smiles: N#CC1=CN2C(C=C1)C(C(C2C(=O)C1CC1)c1ccccc1OC)(C#N)C#N

STK529370
Synonyms: 4- ethoxy- 3- (1- methyl- 7- oxo- 3- propyl- 6,7- dihydro- 1H- pyrazolo[4,3- d]pyrimidin- 5- yl)- N- (2- methylphenyl)benzenesulfonamide
Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)Nc1ccccc1C)C

STK834799
Synonyms: (2E)- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]- 3- [(3- methoxyphenyl)amino]prop- 2- enenitrile
Smiles: COc1cccc(c1)N/C=C(/c1scc(n1)c1ccc(c(c1)OC)OC)\C#N

STK834800
Synonyms: 3- [2- amino- 3- (phenylsulfonyl)- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl]propan- 1- ol
Smiles: OCCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1

STK529374
Synonyms: (2Z)- 3- [(2,3- dichlorophenyl)amino]- 2- [4- (4- ethoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C\Nc1cccc(c1Cl)Cl)/C#N

STK529377
Synonyms: N'- benzyl- 2- [4- (diphenylmethyl)piperazin- 1- yl]- N'- phenylacetohydrazide
Smiles: O=C(NN(c1ccccc1)Cc1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

STK834806
Synonyms: 8- (ethylsulfanyl)- 3- methyl- 7- (3- phenylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C

STK529382
Synonyms: (2Z)- 3- [(2,4- dichlorophenyl)amino]- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1Cl)Cl)/c1scc(n1)c1ccc(cc1)OC

STK529383
Synonyms: diprop- 2- en- 1- yl(4- chlorobenzene- 1,2- diyl)biscarbamate
Smiles: C=CCOC(=O)Nc1cc(Cl)ccc1NC(=O)OCC=C

STK529384
Synonyms: (1E,4E)- 1,5- bis[4- (pentyloxy)phenyl]penta- 1,4- dien- 3- one
Smiles: CCCCCOc1ccc(cc1)/C=C/C(=O)/C=C/c1ccc(cc1)OCCCCC

STK529388
Synonyms: 1- (4- bromophenyl)- 2- (3- butyl- 2- imino- 2,3- dihydro- 1H- benzimidazol- 1- yl)ethanol
Smiles: CCCCn1c(=N)n(c2c1cccc2)CC(c1ccc(cc1)Br)O

STK834809
Synonyms: 8- [(2- hydroxyethyl)amino]- 7- [2- hydroxy- 3- (4- nitrophenoxy)propyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCNc1nc2c(n1CC(COc1ccc(cc1)[N+](=O)[O-])O)c(=O)[nH]c(=O)n2C

STK529390
Synonyms: 2- {[(dimethoxyphosphoryl)(phenyl)methyl]amino}benzoicacid
Smiles: COP(=O)(C(c1ccccc1)Nc1ccccc1C(=O)O)OC

STK834810
Synonyms: 1- (3,6- dichloro- 9H- carbazol- 9- yl)- 3- [(2- methoxyphenyl)amino]propan- 2- ol
Smiles: COc1ccccc1NCC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O

STK834811
Synonyms: N- [4- (2,2- dicyanoethenyl)phenyl]acetamide
Smiles: N#CC(=Cc1ccc(cc1)NC(=O)C)C#N

STK834812
Synonyms: 2- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: Fc1ccc(cc1)c1[nH]nc(c1)c1ccccc1O

STK529397
Synonyms: 1H- anthra[1,2- d]imidazole- 2,6,11(3H)- trione
Smiles: O=c1[nH]c2c([nH]1)c1c(cc2)c(=O)c2c(c1=O)cccc2

STK834813
Synonyms: (2E)- 3- [(4- methoxyphenyl)amino]- 2- [4- (6- nitro- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)OC)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK529399
Synonyms: 8- methyl- 4- (3- methylpiperidin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: CC1CCCN(C1)c1ncnc2c1[nH]c1c2cc(cc1)C

STK834814
Synonyms: 2- (2- chlorophenyl)- N,N- diethylquinazolin- 4- amine
Smiles: CCN(c1nc(nc2c1cccc2)c1ccccc1Cl)CC

STK834815
Synonyms: ethyl5- cyano- 6- (ethylsulfanyl)- 4- (2- nitrophenyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1[N+](=O)[O-])C#N)SCC

STK529401
Synonyms: 7- amino- 9- [(2- oxo- 2- phenylethyl)sulfanyl]- 8- azaspiro[4.5]deca- 6,9- diene- 6,10- dicarbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccccc2)NC(=C(C21CCCC2)C#N)N

STK529404
Synonyms: 4- (3,5- dimethylpyridinium- 1- yl)- 5- [(E)- {2- [(2- hydroxyphenyl)carbonyl]hydrazinylidene}methyl]- 2- oxo- 1,3- thiazol- 3- ide
Smiles: Cc1cc(C)c[n+](c1)c1[n-]c(=O)sc1/C=N/NC(=O)c1ccccc1O

STK834819
Synonyms: 1- (3,6- dichloro- 9H- carbazol- 9- yl)- 3- (3,5- dimethyl- 1H- pyrazol- 1- yl)propan- 2- ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)Cn1nc(cc1C)C

STK529406
Synonyms: (2E)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(2- ethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1CC)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK834821
Synonyms: N'- [(E)- (3,4- dimethoxyphenyl)methylidene]- 4,6- diphenylpyrimidine- 2- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nc(cc(n2)c2ccccc2)c2ccccc2)ccc1OC

STK529408
Synonyms: 2- (4- methoxyphenyl)- 1- [2- (pyrrolidin- 1- yl)ethyl]- 1H- imidazo[1,2- a]benzimidazole
Smiles: COc1ccc(cc1)c1cn2c(n1CCN1CCCC1)nc1c2cccc1

STK834822
Synonyms: (2E)- 3- [(3,5- dimethylphenyl)amino]- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(C)cc(c1)C)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK529413
Synonyms:
Smiles: O=C(NC1CCCCC1)NNC(=O)C1[C@@H]2[C@H]1CCCC2

STK529414
Synonyms: 2,6- dimethyl- 4- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)pyridine
Smiles: Cc1cc(cc(n1)C)C12CC3CC(C2)CC(C1)C3

STK529416
Synonyms: (2Z)- 2- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(4- ethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)CC)/c1scc(n1)c1ccc(cc1Cl)Cl

STK834824
Synonyms: (2E)- 3- [(2- fluorophenyl)amino]- 2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1F)/c1scc(n1)c1ccc(cc1)C

STK529420
Synonyms: 4- methoxy- N'- [(3E)- 2- oxo- 1- {[2- (pyridin- 3- yl)piperidin- 1- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]benzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C/1\c2ccccc2N(C1=O)CN1CCCCC1c1cccnc1

STK529421
Synonyms: 8- [bis(2- hydroxyethyl)amino]- 7- hexyl- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N(CCO)CCO

STK529422
Synonyms: 1- (1H- pyrazol- 3- ylmethyl)cyclohexanol
Smiles: OC1(CCCCC1)Cc1cc[nH]n1

STK834827
Synonyms: 3- [3- (phenylamino)propanoyl]- 1,3- benzoxazol- 2(3H)- one
Smiles: O=C(n1c(=O)oc2c1cccc2)CCNc1ccccc1

STK529426
Synonyms: (2E)- 3- [(3,4- dimethylphenyl)amino]- 2- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1ccc(cc1C)C

STK834828
Synonyms: (5E)- 5- {[5- (4- chlorophenyl)furan- 2- yl]methylidene}- 3- (3- methoxypropyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COCCCN1C(=S)S/C(=C/c2ccc(o2)c2ccc(cc2)Cl)/C1=O

STK834829
Synonyms: (2Z)- 3- [(2,4- dimethoxyphenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1OC)OC)/c1scc(n1)c1cc2ccccc2oc1=O

STK529430
Synonyms: {[3- (2,4- dichlorophenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1Cl)Cl)C(F)(F)F

STK529433
Synonyms: 6- (chloromethyl)[1,3]thiazolo[3,2- b][1,2,4]triazole
Smiles: ClCc1csc2n1ncn2

STK529434
Synonyms: 2- [4- (4- fluorophenyl)piperazin- 1- yl]- 1- (5- methoxy- 1H- indol- 3- yl)ethanol
Smiles: COc1ccc2c(c1)c(c[nH]2)C(CN1CCN(CC1)c1ccc(cc1)F)O

STK834836
Synonyms: 4,4- dimethoxy- 4,5,6,7- tetrahydro- 2,1,3- benzoxadiazol- 5- ol1- oxide
Smiles: COC1(OC)C(O)CCc2c1no[n+]2[O-]

STK834837
Synonyms: 5- acetyl- 6- hydroxy- 1,3- dimethyl- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: CC(=O)c1c(O)n(C)c(=S)n(c1=O)C

STK529437
Synonyms: (2E)- 2- [4- (3- bromophenyl)- 1,3- thiazol- 2- yl]- 3- [(3- butoxyphenyl)amino]prop- 2- enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1cccc(c1)Br)\C#N

STK834838
Synonyms: 1- (9H- carbazol- 9- yl)- 3- [(3- methylphenyl)amino]propan- 2- ol
Smiles: Cc1cccc(c1)NCC(Cn1c2ccccc2c2c1cccc2)O

STK834840
Synonyms: 4- (1- benzyl- 2- methyl- 4- nitro- 1H- imidazol- 5- yl)morpholine
Smiles: [O-][N+](=O)c1nc(n(c1N1CCOCC1)Cc1ccccc1)C

STK834848
Synonyms: 1- (3,6- dibromo- 9H- carbazol- 9- yl)- 3- [(2- methylphenyl)amino]propan- 2- ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CNc1ccccc1C

STK529453
Synonyms: (2Z)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(3,5- dimethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(C)cc(c1)C)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK529456
Synonyms: {4- [2- (2,6- dimethoxyphenoxy)ethyl]piperazin- 1- yl}(furan- 2- yl)methanone
Smiles: COc1cccc(c1OCCN1CCN(CC1)C(=O)c1ccco1)OC

STK529457
Synonyms: (2Z)- 2- [4- (biphenyl- 4- yl)- 1,3- thiazol- 2- yl]- 3- [(4- ethylphenyl)amino]prop- 2- enenitrile
Smiles: CCc1ccc(cc1)N/C=C(\c1scc(n1)c1ccc(cc1)c1ccccc1)/C#N

STK529458
Synonyms: 1- (4- bromo- 3,5- dimethyl- 1H- pyrazol- 1- yl)- 3- (3,6- dibromo- 9H- carbazol- 9- yl)propan- 2- ol
Smiles: Brc1ccc2c(c1)c1cc(Br)ccc1n2CC(Cn1nc(c(c1C)Br)C)O

STK834854
Synonyms: (2Z)- 2- [1- (7- hydroxy- 2- oxo- 2H- chromen- 3- yl)ethylidene]hydrazinecarbothioamide
Smiles: NC(=S)N/N=C(\c1cc2ccc(cc2oc1=O)O)/C

STK834855
Synonyms: 3- [8- (benzylamino)- 3- methyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl]propanenitrile
Smiles: N#CCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK529471
Synonyms: 1- (1H- indol- 3- yl)- 2- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}ethanol
Smiles: OC(c1c[nH]c2c1cccc2)CN1CCN(CC1)c1cccc(c1)C(F)(F)F

STK529472
Synonyms: methyl1- (2,3- dimethoxybenzyl)- 2- methyl- 5- phenyl- 1H- pyrrole- 3- carboxylate
Smiles: COC(=O)c1cc(n(c1C)Cc1cccc(c1OC)OC)c1ccccc1

STK529473
Synonyms: 5,6a,7,10,10a,12- hexahydro- 7,10- methanodibenzo[b,f][1,4]diazocine- 6,11- dione
Smiles: O=C1Nc2ccccc2NC(=O)C2C1C1C=CC2C1

STK834858
Synonyms: 4- (2- propyltetrahydro- 2H- pyran- 4- yl)- 1,3- thiazol- 2- amine
Smiles: CCCC1OCCC(C1)c1csc(n1)N

STK834860
Synonyms: ethyl4- hydroxy- 1- methyl- 2- oxo- 1,2- dihydroquinoline- 3- carboxylate
Smiles: CCOC(=O)c1c(O)c2ccccc2n(c1=O)C

STK834862
Synonyms: 5- cyano- 4- (furan- 2- yl)- N- (2- methoxyphenyl)- 2- methyl- 6- [(2- oxo- 2- phenylethyl)sulfanyl]- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)c2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK529476
Synonyms: (2E)- 3- [(3- butoxyphenyl)amino]- 2- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1ccc(c(c1)Cl)Cl)\C#N

STK529477
Synonyms: 1,6- dimethyltetrahydroimidazo[4,5- d]imidazole- 2,5(1H,3H)- dione
Smiles: O=C1NC2C(N1C)N(C(=O)N2)C

STK529480
Synonyms: 3- imino- 5,7- dimethyloctahydro- 6H- imidazo[4,5- e][1,2,4]triazin- 6- one
Smiles: N=C1NNC2C(N1)N(C)C(=O)N2C

STK529482
Synonyms: 7- ethyl- 3- methyl- 8- (4- methylpiperazin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)C

STK529483
Synonyms: 1- (2- phenyl- 2,3- dihydro- 10H- imidazo[1',2':2,3][1,2,4]triazino[5,6- b]indol- 10- yl)ethanone
Smiles: CC(=O)n1c2nc3=NC(Cn3nc2c2c1cccc2)c1ccccc1

STK834867
Synonyms: 4- hydroxy- N- (2- methylpropyl)- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CC(CNC(=O)c1c(=O)[nH]c2c(c1O)cccc2)C

STK529484
Synonyms: methyl3- {[(3- methylpiperidin- 1- yl)acetyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCCC(C1)C)cccc2

STK529490
Synonyms: (2E)- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}- 3- {[4- (propan- 2- yl)phenyl]amino}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)C(C)C)/c1scc(n1)c1ccc(cc1)CC(C)C

STK834871
Synonyms: 3- [3- (3,6- dibromo- 9H- carbazol- 9- yl)- 2- hydroxypropyl]- 1,3- thiazolidine- 2,4- dione
Smiles: Brc1ccc2c(c1)c1cc(Br)ccc1n2CC(CN1C(=O)CSC1=O)O

STK834874
Synonyms: (5Z)- 1- methyl- 5- [(2- methyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CN1C(=O)NC(=O)/C(=C/c2c(C)[nH]c3c2cccc3)/C1=O

STK834875
Synonyms: 8- (azepan- 1- yl)- 7- [2- hydroxy- 3- (propan- 2- yloxy)propyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCCC1)COC(C)C

STK834876
Synonyms: 1- [3- (4- chlorophenyl)oxiran- 2- yl]- 2,2- dimethylpropan- 1- one
Smiles: O=C(C(C)(C)C)C1OC1c1ccc(cc1)Cl

STK529500
Synonyms: ethyl2- {4- [(chloroacetyl)amino]- 3- methylphenyl}- 3,3,3- trifluoro- 2- hydroxypropanoate
Smiles: CCOC(=O)C(C(F)(F)F)(c1ccc(c(c1)C)NC(=O)CCl)O

STK529501
Synonyms: (2E)- 2- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 3- {[3- (trifluoromethyl)phenyl]amino}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)C(F)(F)F)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK529503
Synonyms: (2E)- 3- [(3- butoxyphenyl)amino]- 2- [4- (6- nitro- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-])\C#N

STK834878
Synonyms: [1,2,3]thiadiazolo[4,5- e][2,1,3]benzoxadiazol- 4- ol
Smiles: Oc1cc2snnc2c2c1non2

STK529504
Synonyms: 2- (8- ethyl- 8- methyl- 3- oxohexahydro- 7H- [1,3]thiazolo[3,2- a]pyrazin- 7- yl)acetohydrazide
Smiles: NNC(=O)CN1CCN2C(C1(C)CC)SCC2=O

STK834883
Synonyms: 8- amino- 7- [3- (4- chlorophenoxy)- 2- hydroxypropyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(N)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

STK834885
Synonyms: 4- [(4- methoxyphenyl)amino]- 6- methyl- 2- (trifluoromethyl)pyrimidine- 5- carbonitrile
Smiles: N#Cc1c(Nc2ccc(cc2)OC)nc(nc1C)C(F)(F)F

STK834886
Synonyms: 1- [(4- bromophenyl)amino]- 3- (9H- carbazol- 9- yl)propan- 2- ol
Smiles: OC(Cn1c2ccccc2c2c1cccc2)CNc1ccc(cc1)Br

STK529507
Synonyms: methyl4- [bis(2,6- dioxo- 4- phenylcyclohexyl)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)C(C1C(=O)CC(CC1=O)c1ccccc1)C1C(=O)CC(CC1=O)c1ccccc1

STK529508
Synonyms: N'- [(3E)- 2- oxo- 1- {[2- (pyridin- 3- yl)piperidin- 1- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]pyridine- 3- carbohydrazide
Smiles: O=C(c1cccnc1)N/N=C\1/C(=O)N(c2c1cccc2)CN1CCCCC1c1cccnc1

STK529509
Synonyms: (2Z)- 2- [4- (3,4- dimethylphenyl)- 1,3- thiazol- 2- yl]- 3- [(4- ethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)CC)/c1scc(n1)c1ccc(c(c1)C)C

STK529510
Synonyms: N'- (2- oxo- 1- oxaspiro[4.5]dec- 3- en- 4- yl)benzohydrazide
Smiles: O=C1C=C(C2(O1)CCCCC2)NNC(=O)c1ccccc1

STK529511
Synonyms: (2E)- 2- [4- (4- ethoxyphenyl)- 1,3- thiazol- 2- yl]- 3- [(2- iodophenyl)amino]prop- 2- enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccccc1I)/C#N

STK529513
Synonyms: methyl3- [(3,4- dihydroquinolin- 1(2H)- ylacetyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCCc3c1cccc3)cccc2

STK529514
Synonyms: 3,3- dimethyl- 9- (nonylamino)- 3,4- dihydroacridin- 1(2H)- one
Smiles: CCCCCCCCCNc1c2C(=O)CC(Cc2nc2c1cccc2)(C)C

STK529516
Synonyms: (2E)- 3- [(4- nitrophenyl)amino]- 2- (4- phenyl- 1,3- thiazol- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)[N+](=O)[O-])/c1scc(n1)c1ccccc1

STK834892
Synonyms: 3- (1H- benzimidazol- 2- yl)- 1- ethyl- 4- hydroxyquinolin- 2(1H)- one
Smiles: CCn1c(=O)c(c2nc3c([nH]2)cccc3)c(c2c1cccc2)O

STK529518
Synonyms: methyl5- chloro- 3- ({[3- (ethoxycarbonyl)piperidin- 1- yl]acetyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)C1CCCN(C1)CC(=O)Nc1c([nH]c2c1cc(Cl)cc2)C(=O)OC

STK834893
Synonyms: 2- benzyl- 1H- naphtho[2,3- g]indazole- 3,6,11(2H)- trione
Smiles: O=c1n(Cc2ccccc2)[nH]c2c1ccc1c2c(=O)c2c(c1=O)cccc2

STK529521
Synonyms: 8- methyl- 3- {[(E)- pyridin- 3- ylmethylidene]amino}- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: Cc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1cccnc1

STK529522
Synonyms: 4- [4- (2,3- dimethylphenyl)piperazin- 1- yl]- 8- methoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cccc(c1C)C

STK529523
Synonyms: (2E)- 2- [4- (3,4- dimethylphenyl)- 1,3- thiazol- 2- yl]- 3- [(3- fluorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)F)/c1scc(n1)c1ccc(c(c1)C)C

STK529528
Synonyms: 1- [2- (1H- indol- 3- yl)- 2- oxoethyl]piperidin- 4- one
Smiles: O=C1CCN(CC1)CC(=O)c1c[nH]c2c1cccc2

STK834895
Synonyms: 2- (3- chloro- 9H- carbazol- 9- yl)ethanol
Smiles: OCCn1c2ccccc2c2c1ccc(c2)Cl

STK834898
Synonyms: 2- {[3- methyl- 2,6- dioxo- 7- (prop- 2- en- 1- yl)- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}- N- phenylacetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK834899
Synonyms: 2,2'- {[4- (pentyloxy)phenyl]methanediyl}bis(5,5- dimethylcyclohexane- 1,3- dione)
Smiles: CCCCCOc1ccc(cc1)C(C1C(=O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

STK834900
Synonyms: 9- (4- hydroxyphenyl)- 3,4,5,6,7,9- hexahydro- 1H- xanthene- 1,8(2H)- dione
Smiles: Oc1ccc(cc1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

STK834902
Synonyms: 1,3- dimethyl- 7- (4- methylbenzyl)- 8- sulfanyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Cn1c(S)nc2c1c(=O)n(C)c(=O)n2C

STK834903
Synonyms: 2- methyl- 6- (morpholin- 4- yl)- 3- (propan- 2- yl)hex- 4- yn- 3- ol
Smiles: CC(C(C(C)C)(C#CCN1CCOCC1)O)C

STK529532
Synonyms: (2E)- 3- [(2,4- dimethylphenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C)C)/c1scc(n1)c1cc2ccccc2oc1=O

STK834906
Synonyms: ethyl[(3,7- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2c(n1C)c(=O)[nH]c(=O)n2C

STK529537
Synonyms: {1- [(1Z)- 3- (4- chlorophenyl)- 1- (furan- 2- yl)- 3- oxoprop- 1- en- 2- yl]pyridin- 2(1H)- ylidene}propanedinitrile
Smiles: N#CC(=c1ccccn1/C(=C\c1ccco1)/C(=O)c1ccc(cc1)Cl)C#N

STK529541
Synonyms: methyl1- [2- (3,4- dimethoxyphenyl)ethyl]- 2- methyl- 5- phenyl- 1H- pyrrole- 3- carboxylate
Smiles: COC(=O)c1cc(n(c1C)CCc1ccc(c(c1)OC)OC)c1ccccc1

STK529543
Synonyms: 5- [5- (azepan- 1- ylsulfonyl)- 2- ethoxyphenyl]- 1- methyl- 3- propyl- 1,6- dihydro- 7H- pyrazolo[4,3- d]pyrimidin- 7- one
Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCCCCC1)C

STK529544
Synonyms: (4- bromophenyl)(4,4,7- trimethyl- 1- thioxo- 1,4- dihydro- 5H- [1,2]dithiolo[3,4- c]quinolin- 5- yl)methanone
Smiles: Brc1ccc(cc1)C(=O)N1c2cc(C)ccc2c2c(C1(C)C)ssc2=S

STK529548
Synonyms: 2- methylhexahydrocyclohepta[d]imidazole- 1,3(2H,3aH)- diol
Smiles: CC1N(O)C2C(N1O)CCCCC2

STK529549
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 1- (5- methoxy- 1H- indol- 3- yl)ethanone
Smiles: COc1ccc2c(c1)c(c[nH]2)C(=O)CN1CCN(CC1)Cc1ccccc1

STK529550
Synonyms: 2- (4- chlorobenzyl)butanedioicacid
Smiles: OC(=O)C(Cc1ccc(cc1)Cl)CC(=O)O

STK834913
Synonyms: 1- (9H- carbazol- 9- yl)- 3- [(3- chlorophenyl)amino]propan- 2- ol
Smiles: Clc1cccc(c1)NCC(Cn1c2ccccc2c2c1cccc2)O

STK529555
Synonyms: N'- benzyl- 2- (4- methylpiperazin- 1- yl)- N'- phenylacetohydrazide
Smiles: CN1CCN(CC1)CC(=O)NN(c1ccccc1)Cc1ccccc1

STK834915
Synonyms: (2Z)- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]- 3- (2- methoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1ccccc1OC)/c1scc(n1)c1ccc(c(c1)OC)OC

STK834916
Synonyms: N'- [(E)- (5- nitrothiophen- 2- yl)methylidene]- 2- phenylquinoline- 4- carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)c1ccccc1)N/N=C/c1ccc(s1)[N+](=O)[O-]

STK529559
Synonyms: N- (2- chlorophenyl)- 2- (4- chlorophenyl)quinazolin- 4- amine
Smiles: Clc1ccc(cc1)c1nc(Nc2ccccc2Cl)c2c(n1)cccc2

STK834921
Synonyms: 4- [(2E)- 2- (3- methoxybenzylidene)hydrazinyl][1,2,4]triazolo[4,3- a]quinoxaline
Smiles: COc1cccc(c1)/C=N/Nc1nc2ccccc2n2c1nnc2

STK834922
Synonyms: 1- [(4- chlorophenyl)amino]- 3- (3,6- dibromo- 9H- carbazol- 9- yl)propan- 2- ol
Smiles: Clc1ccc(cc1)NCC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)O

STK834924
Synonyms: 2- (3- methoxyphenyl)- 1H- naphtho[2,3- g]indazole- 3,6,11(2H)- trione
Smiles: COc1cccc(c1)n1[nH]c2c(c1=O)ccc1c2c(=O)c2c(c1=O)cccc2

STK834925
Synonyms: (2E)- 3- [(3- methoxyphenyl)amino]- 2- (4- phenyl- 1,3- thiazol- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)OC)/c1scc(n1)c1ccccc1

STK529570
Synonyms: 3- ({(E)- [4- (propan- 2- yl)phenyl]methylidene}amino)benzoicacid
Smiles: CC(c1ccc(cc1)/C=N/c1cccc(c1)C(=O)O)C

STK529572
Synonyms: 8- [(1E)- 3- (4- chlorophenyl)triaz- 1- en- 1- yl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)N/N=N/c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

STK529573
Synonyms: 2- (4- benzylpiperidin- 1- yl)- 1- (1H- indol- 3- yl)ethanol
Smiles: OC(c1c[nH]c2c1cccc2)CN1CCC(CC1)Cc1ccccc1

STK834929
Synonyms: 2,4- dichloro- N- [(1Z)- 4,4,7- trimethyl- 4,5- dihydro- 1H- [1,2]dithiolo[3,4- c]quinolin- 1- ylidene]aniline
Smiles: Cc1ccc2c(c1)NC(c1c2/c(=N/c2ccc(cc2Cl)Cl)/ss1)(C)C

STK834931
Synonyms: 8- (azepan- 1- yl)- 7- (3- bromobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Brc1cccc(c1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCCC1

STK529574
Synonyms: 7- [(2E)- 3- chlorobut- 2- en- 1- yl]- 8- (ethylsulfanyl)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCSc1nc2c(n1C/C=C(/Cl)\C)c(=O)[nH]c(=O)n2C

STK834932
Synonyms: 4,4,6,6- tetramethyl- 3a,4,6,7- tetrahydro- 2H- imidazo[4,5- c]pyridine- 3,5- diol1- oxide
Smiles: ON1C[N+](=C2C1C(C)(C)N(C(C2)(C)C)O)[O-]

STK529575
Synonyms: diethyl2,5- dimethyl- 1- (2- phenylethyl)- 1H- pyrrole- 3,4- dicarboxylate
Smiles: CCOC(=O)c1c(C(=O)OCC)c(n(c1C)CCc1ccccc1)C

STK529578
Synonyms: 1- (1H- indol- 3- yl)- 2- (2- methylpiperidin- 1- yl)ethanol
Smiles: CC1CCCCN1CC(c1c[nH]c2c1cccc2)O

STK529579
Synonyms: methyl3- (5- methyl- 2,3- diphenyl- 1H- indol- 1- yl)propanoate
Smiles: COC(=O)CCn1c2ccc(cc2c(c1c1ccccc1)c1ccccc1)C

STK529581
Synonyms: (2Z)- 3- [(2,4- dichlorophenyl)amino]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1Cl)Cl)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK529582
Synonyms: N- [4- ({(E)- 2- [4- (biphenyl- 4- yl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)phenyl]acetamide
Smiles: N#C/C(=C\Nc1ccc(cc1)NC(=O)C)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK834933
Synonyms: 8- (dibutylamino)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCN(c1[nH]c2c(n1)n(C)c(=O)[nH]c2=O)CCCC

STK834935
Synonyms: 2- [3- (3,6- dichloro- 9H- carbazol- 9- yl)- 2- hydroxypropyl]- 1H- isoindole- 1,3(2H)- dione
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)CN1C(=O)c2c(C1=O)cccc2

STK529585
Synonyms: (2E)- 3- [(4- bromophenyl)amino]- 2- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Br)/c1scc(n1)c1ccc(cc1C)C

STK529589
Synonyms: 4- [4- (4- chlorophenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: Clc1ccc(cc1)N1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1

STK529590
Synonyms: hexadecyl(2E)- 2- cyano- 3- [5- (naphthalen- 1- yl)furan- 2- yl]prop- 2- enoate
Smiles: CCCCCCCCCCCCCCCCOC(=O)/C(=C/c1ccc(o1)c1cccc2c1cccc2)/C#N

STK834940
Synonyms: (2Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- [(2,5- dichlorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)ccc1Cl)/c1scc(n1)c1ccc2c(c1)OCO2

STK834941
Synonyms: (2E)- 3- [(3,4- dimethylphenyl)amino]- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK529598
Synonyms: 8- methyl- N- [2- (pyrrolidin- 1- yl)ethyl]- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)NCCN1CCCC1

STK529601
Synonyms: (2E)- 2- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(4- iodophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)I)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK834942
Synonyms: 6- chloro- 3- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 4- phenylquinolin- 2(1H)- one
Smiles: COc1cc(/C=C/C(=O)c2c(=O)[nH]c3c(c2c2ccccc2)cc(cc3)Cl)ccc1OC

STK529604
Synonyms: 3- {[(E)- 1,3- benzodioxol- 5- ylmethylidene]amino}- 8- methoxy- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1ccc2c(c1)OCO2

STK529605
Synonyms: 4- (quinolin- 2- ylmethyl)phthalazin- 1(2H)- one
Smiles: O=c1[nH]nc(c2c1cccc2)Cc1ccc2c(n1)cccc2

STK529606
Synonyms: (2Z)- 2- [4- (3- bromophenyl)- 1,3- thiazol- 2- yl]- 3- [(4- ethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)CC)/c1scc(n1)c1cccc(c1)Br

STK529608
Synonyms: (2E)- 3- [(3- butoxyphenyl)amino]- 2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1ccc(cc1)C)\C#N

STK529609
Synonyms: (2Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- [4- (propan- 2- yl)phenyl]prop- 2- enenitrile
Smiles: N#C/C(=C/c1ccc(cc1)C(C)C)/c1scc(n1)c1ccc2c(c1)OCO2

STK529611
Synonyms: ethyl2- ({2- methoxy- 5- [(E)- (1H- 1,2,4- triazol- 1- ylimino)methyl]benzyl}oxy)benzoate
Smiles: CCOC(=O)c1ccccc1OCc1cc(ccc1OC)/C=N/n1cncn1

STK834947
Synonyms: (2Z)- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(2,4- dimethoxyphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1OC)OC)/c1scc(n1)c1ccc(cc1)Cl

STK834948
Synonyms: (2Z)- N- (4- chlorophenyl)- 2- (3,3- dimethyl- 3,4- dihydroisoquinolin- 1(2H)- ylidene)ethanamide
Smiles: O=C(/C=C/1\NC(C)(C)Cc2c1cccc2)Nc1ccc(cc1)Cl

STK529618
Synonyms: 1- (3,4- dichlorophenyl)- 2- {2- imino- 3- [2- (pyrrolidin- 1- yl)ethyl]- 2,3- dihydro- 1H- benzimidazol- 1- yl}ethanol
Smiles: OC(c1ccc(c(c1)Cl)Cl)Cn1c(=N)n(c2c1cccc2)CCN1CCCC1

STK529620
Synonyms: (2E)- 3- [(4- bromophenyl)amino]- 2- [4- (3,4- dimethylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Br)/c1scc(n1)c1ccc(c(c1)C)C

STK834949
Synonyms: 5- hexyl- 3- [2- (5- sulfanyl- 4H- 1,2,4- triazol- 3- yl)ethyl]dihydrofuran- 2(3H)- one
Smiles: CCCCCCC1CC(C(=O)O1)CCc1nnc([nH]1)S

STK834950
Synonyms: 8- (butylsulfanyl)- 3- methyl- 7- (3- methylbutyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCSc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C

STK529622
Synonyms: 1- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)- 2- [4- (4- methoxyphenyl)piperazin- 1- yl]ethanone
Smiles: COc1ccc(cc1)N1CCN(CC1)CC(=O)c1c(C)n(c2c1cc(OC)cc2)C

STK529626
Synonyms: (2Z)- 2- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(4- fluorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)F)/c1scc(n1)c1ccc(cc1Cl)Cl

STK834954
Synonyms: (2Z)- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 3- [(2- methylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccccc1C)/c1scc(n1)c1ccc(cc1)OC

STK834955
Synonyms: (2E)- 2- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 3- [(2- fluorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1F)/c1scc(n1)c1ccc(cc1)CC

STK529643
Synonyms: N- (4- chlorobenzyl)- N'- (4- phenyl- 1,3- thiazol- 2- yl)ethanediamide
Smiles: Clc1ccc(cc1)CNC(=O)C(=O)Nc1scc(n1)c1ccccc1

STK834956
Synonyms: 5- (phenylsulfanyl)- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: O=C1c2ccccc2c2c3c1c(ccc3no2)Sc1ccccc1

STK529644
Synonyms: furan- 2- yl[4- (5H- pyrimido[5,4- b]indol- 4- yl)piperazin- 1- yl]methanone
Smiles: O=C(c1ccco1)N1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1

STK529647
Synonyms: (2E)- 3- (naphthalen- 1- ylamino)- 2- [4- (6- nitro- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc2c1cccc2)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK834958
Synonyms: (2E)- 3- [(3- butoxyphenyl)amino]- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}prop- 2- enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1ccc(cc1)CC(C)C)\C#N

STK529650
Synonyms: 1- (3'- cyano- 1'H- spiro[cyclopentane- 1,2'- naphthalen]- 4'- yl)- 3- phenylthiourea
Smiles: N#CC1=C(NC(=S)Nc2ccccc2)c2ccccc2CC21CCCC2

STK529653
Synonyms: (2E)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(2,4,6- trimethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1c(C)cc(cc1C)C)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK529655
Synonyms: 3- {[(E)- (4- hydroxyphenyl)methylidene]amino}- 8- methoxy- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1ccc(cc1)O

STK834961
Synonyms: 4- (4,5- diphenyl- 1H- imidazol- 2- yl)pyridine
Smiles: n1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1

STK529660
Synonyms: 1- benzyl- 8- bromo- 3- methyl- 7- (2- oxo- 2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=C(c1ccccc1)Cn1c(Br)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C

STK529665
Synonyms: 7- benzyl- 8- bromo- 1- butyl- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCn1c(=O)n(C)c2c(c1=O)n(Cc1ccccc1)c(n2)Br

STK529666
Synonyms: 7- ({(2E)- 2- [5,7- dibromo- 3- (morpholin- 4- yl)- 1- benzofuran- 2(3H)- ylidene]ethyl}oxy)- 4- methyl- 2H- chromen- 2- one
Smiles: Brc1cc2C(N3CCOCC3)/C(=C\COc3ccc4c(c3)oc(=O)cc4C)/Oc2c(c1)Br

STK529667
Synonyms: (2E)- 2- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(4- methoxyphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)OC)/c1scc(n1)c1ccc(cc1Cl)Cl

STK834967
Synonyms: (2E)- 2- [4- (biphenyl- 4- yl)- 1,3- thiazol- 2- yl]- 3- [(2- nitrophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)c1ccccc1

STK834970
Synonyms: 7- (2- methoxyethyl)- 3- methyl- 8- {(2E)- 2- [(3E)- 4- phenylbut- 3- en- 2- ylidene]hydrazinyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COCCn1c(N/N=C(/C=C/c2ccccc2)\C)nc2c1c(=O)[nH]c(=O)n2C

STK529671
Synonyms: 2- (3,3- dimethylpiperidin- 1- yl)- 1- (1H- indol- 3- yl)ethanone
Smiles: O=C(c1c[nH]c2c1cccc2)CN1CCCC(C1)(C)C

STK834972
Synonyms: (2Z)- 3- [(2,5- dimethoxyphenyl)amino]- 2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(OC)ccc1OC)/c1scc(n1)c1ccc(cc1)C

STK529676
Synonyms: 1- (5H- pyrimido[5,4- b]indol- 4- yl)- 4- [3- (trifluoromethyl)phenyl]piperidin- 4- ol
Smiles: OC1(CCN(CC1)c1ncnc2c1[nH]c1c2cccc1)c1cccc(c1)C(F)(F)F

STK529678
Synonyms: tetramethyl2,2',2'',2'''- [(1,4- dioxido- 4a,5,6,7,8,8a- hexahydroquinoxaline- 2,3- diyl)bis(methanediylnitrilo)]tetraacetate
Smiles: COC(=O)CN(CC1=[N+]([O-])C2CCCCC2[N+](=C1CN(CC(=O)OC)CC(=O)OC)[O-])CC(=O)OC

STK529682
Synonyms: 2- chloro- N- {[4- methyl- 6- (1- methylhydrazinyl)pyrimidin- 2- yl]carbamoyl}benzenesulfonamide
Smiles: Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(c1)N(N)C

STK834976
Synonyms: 3- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N- (4- fluorophenyl)quinoxalin- 2- amine
Smiles: Fc1ccc(cc1)Nc1nc2ccccc2nc1n1nc(cc1C)C

STK529683
Synonyms: 2- amino- 5- (furan- 2- yl)- 1- phenyl- 1H- pyrrole- 3,4- dicarbonitrile
Smiles: N#Cc1c(C#N)c(n(c1c1ccco1)c1ccccc1)N

STK529686
Synonyms: methyl3- [(1,4- dioxa- 8- azaspiro[4.5]dec- 8- ylacetyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCC3(CC1)OCCO3)cccc2

STK529690
Synonyms: 1- methyl- 8- sulfanyl- 3,9- dihydro- 1H- purine- 2,6- dione
Smiles: Sc1[nH]c2c(n1)c(=O)n(c(=O)[nH]2)C

STK529697
Synonyms: ethyl4- (2- chloro- 4- oxo- 4H- pyrido[1,2- a]pyrimidin- 3- yl)- 6- methyl- 2- oxo- 1,2,3,4- tetrahydropyrimidine- 5- carboxylate
Smiles: CCOC(=O)C1=C(C)NC(=O)NC1c1c(Cl)nc2n(c1=O)cccc2

STK834980
Synonyms: 7,8- dimethyl- 6H- [1,2,5]oxadiazolo[3,4- e]indol- 6- ol
Smiles: Cc1c(C)n(c2c1c1nonc1cc2)O

STK529702
Synonyms: (2E)- 3- [(2,4- dimethylphenyl)amino]- 2- [4- (3,4- dimethylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C)C)/c1scc(n1)c1ccc(c(c1)C)C

STK529703
Synonyms: N- (3,4- difluorophenyl)- 3- (3,5- dimethyl- 1H- pyrazol- 1- yl)quinoxalin- 2- amine
Smiles: Cc1nn(c(c1)C)c1nc2ccccc2nc1Nc1ccc(c(c1)F)F

STK529705
Synonyms: 7- (3- bromobenzyl)- 3- methyl- 8- (morpholin- 4- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Brc1cccc(c1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCOCC1

STK834988
Synonyms: (2E)- 3- [(3- bromophenyl)amino]- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1ccc(c(c1)OC)OC

STK529709
Synonyms: 1- (diphenylamino)- 3- [(2- hydroxyethyl)(methyl)amino]propan- 2- ol
Smiles: OCCN(CC(CN(c1ccccc1)c1ccccc1)O)C

STK834989
Synonyms: (2Z)- 2- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 3- [4- (propan- 2- yl)phenyl]prop- 2- enenitrile
Smiles: N#C/C(=C/c1ccc(cc1)C(C)C)/c1scc(n1)c1ccc(cc1Cl)Cl

STK834990
Synonyms: 1- (3,6- dibromo- 9H- carbazol- 9- yl)- 3- [(3- methylphenyl)amino]propan- 2- ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CNc1cccc(c1)C

STK529714
Synonyms: 2- hydroxy- 2,2- bis(4- methylphenyl)- N'- [(4- methylphenyl)sulfonyl]acetohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)NNC(=O)C(c1ccc(cc1)C)(c1ccc(cc1)C)O

STK529716
Synonyms: N,N'- (1E,4E)- butane- 1,4- diylidenebis(2- fluoroaniline)
Smiles: Fc1ccccc1/N=C/CC/C=N/c1ccccc1F

STK529721
Synonyms: 4,6,6- trimethyl- 3- (pyridin- 2- ylsulfanyl)- 5,6- dihydropyridin- 2(1H)- one
Smiles: CC1=C(Sc2ccccn2)C(=O)NC(C1)(C)C

STK834997
Synonyms: 4- ({(E)- 2- cyano- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)N)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK529723
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- N'- hydroxy- 1,1- di(morpholin- 4- yl)phosphanecarboximidamideoxide
Smiles: O/N=C(/P(=O)(N1CCOCC1)N1CCOCC1)\Nc1c(C)n(n(c1=O)c1ccccc1)C

STK529725
Synonyms: 2- ethoxy- 3- methylquinoxaline
Smiles: CCOc1nc2ccccc2nc1C

STK529728
Synonyms: 1- methyl- 6,7,8,9- tetrahydro[1,3]thiazepino[2,3- f]purine- 2,4(1H,3H)- dione
Smiles: O=c1[nH]c(=O)n(c2c1n1CCCCSc1n2)C

STK529733
Synonyms: N'- (2- butyl- 2- hydroxyhexanoyl)- 5- methyl- N- phenylthiophene- 3- carbohydrazide
Smiles: CCCCC(C(=O)NN(C(=O)c1csc(c1)C)c1ccccc1)(CCCC)O

STK835000
Synonyms: N- (4- bromophenyl)- 4- hydroxy- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK801741
Synonyms: 5,7- dichloro- 4- nitro- 2,1,3- benzoxadiazole
Smiles: [O-][N+](=O)c1c(Cl)cc(c2c1non2)Cl

STK529739
Synonyms: (2Z)- 3- [(2,3- dichlorophenyl)amino]- 2- [4- (6- nitro- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1Cl)Cl)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK835002
Synonyms: (2Z)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- (phenylamino)prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccccc1)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK835004
Synonyms: 1- (3,6- dibromo- 9H- carbazol- 9- yl)- 3- (phenylamino)propan- 2- ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CNc1ccccc1

STK529743
Synonyms: 2- imino- 10- phenyltetrahydro- 8a,3- (epoxymethano)chromene- 3,4,4(2H,4aH)- tricarbonitrile
Smiles: N#CC12C(=N)OC3(OC1c1ccccc1)C(C2(C#N)C#N)CCCC3

STK529747
Synonyms: ethyl4- {5- [(1E)- 2- cyano- 3- (hexadecyloxy)- 3- oxoprop- 1- en- 1- yl]furan- 2- yl}benzoate
Smiles: CCCCCCCCCCCCCCCCOC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)C(=O)OCC)/C#N

STK835005
Synonyms: (2Z)- 3- [(5- chloro- 2- methoxyphenyl)amino]- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C\Nc1cc(Cl)ccc1OC)/C#N

STK529754
Synonyms: 3,3'- ({3- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 4- methoxyphenyl}methanediyl)bis(4- hydroxy- 2H- chromen- 2- one)
Smiles: COc1ccc(cc1CSc1nc2c(s1)cccc2)C(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2

STK835006
Synonyms: (2E)- 3- [(3,5- dimethylphenyl)amino]- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(C)cc(c1)C)/c1scc(n1)c1cccc(c1)OC

STK529755
Synonyms: (2Z)- 3- [(2,5- dimethylphenyl)amino]- 2- (4- phenyl- 1,3- thiazol- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(C)ccc1C)/c1scc(n1)c1ccccc1

STK835008
Synonyms: (2Z)- 2- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 3- (3- methylphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1cccc(c1)C)/c1scc(n1)c1ccc(cc1Cl)Cl

STK835009
Synonyms: (2E)- 3- [(3- methoxyphenyl)amino]- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)OC)/c1scc(n1)c1ccc(cc1)CC(C)C

STK529757
Synonyms: 2- {[2- (chloroacetyl)- 1,2,3,4- tetrahydroisoquinolin- 1- yl]methyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: ClCC(=O)N1CCc2c(C1CN1C(=O)c3c(C1=O)cccc3)cccc2

STK529762
Synonyms: 5- bromo- 2- iodo- N- [4- (2- oxo- 2H- chromen- 3- yl)phenyl]benzamide
Smiles: Brc1ccc(c(c1)C(=O)Nc1ccc(cc1)c1cc2ccccc2oc1=O)I

STK835014
Synonyms: 1,2,4,5,6,8- hexamethyl- 2,4,6,8- tetraazabicyclo[3.3.1]nonane- 3,7- dione
Smiles: CN1C(=O)N(C)C2(CC1(C)N(C)C(=O)N2C)C

STK835015
Synonyms: 3- methyl- 8- [(4- methylbenzyl)amino]- 7- (3- phenylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)CNc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C

STK529764
Synonyms: 4- [(2- ethoxy- 2- oxoethyl)amino]- 4- oxo- 2- [4- (propan- 2- yloxy)phenyl]butanoicacid
Smiles: CCOC(=O)CNC(=O)CC(c1ccc(cc1)OC(C)C)C(=O)O

STK529768
Synonyms: 3- amino- 4- formyl- 2- (4- methyl- 2- oxopent- 3- en- 1- yl)cyclopent- 3- ene- 1,1,2- tricarbonitrile
Smiles: O=CC1=C(N)C(C(C1)(C#N)C#N)(C#N)CC(=O)C=C(C)C

STK529770
Synonyms: (2E)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(4- bromophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Br)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK835017
Synonyms: (2Z)- 3- [(3- chloro- 2- methylphenyl)amino]- 2- [4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1C)Cl)/c1scc(n1)c1ccc(cc1)F

STK529772
Synonyms: N,N'- pentane- 1,5- diylbis(4- fluorobenzenesulfonamide)
Smiles: Fc1ccc(cc1)S(=O)(=O)NCCCCCNS(=O)(=O)c1ccc(cc1)F

STK835020
Synonyms: (2E)- 3- [(2- nitrophenyl)amino]- 2- (4- phenyl- 1,3- thiazol- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1[N+](=O)[O-])/c1scc(n1)c1ccccc1

STK835022
Synonyms: (2Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- [(2- methylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccccc1C)/c1scc(n1)c1ccc2c(c1)OCO2

STK529773
Synonyms: (2Z)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(3- chloro- 2- methylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1C)Cl)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK835024
Synonyms: (2Z)- 3- (3- nitrophenyl)- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/c1cccc(c1)[N+](=O)[O-])/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK835025
Synonyms: 1- (9H- carbazol- 9- yl)- 3- [(4- methylphenyl)amino]propan- 2- ol
Smiles: OC(Cn1c2ccccc2c2c1cccc2)CNc1ccc(cc1)C

STK835028
Synonyms: (2E)- 3- [(3- bromophenyl)amino]- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1ccc(cc1)Cl

STK529784
Synonyms: (2E)- 2- [4- (6- nitro- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(3- nitrophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)[N+](=O)[O-])/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK835029
Synonyms: 1- prop- 2- en- 1- yl- 3- pyridin- 2- ylthiourea
Smiles: C=CCNC(=S)Nc1ccccn1

STK835031
Synonyms: (2E)- 3- [(4- chlorophenyl)amino]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Cl)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK529787
Synonyms: (2E)- 3- [(3- bromophenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1cc2ccccc2oc1=O

STK529790
Synonyms: N- {4- [(2- oxopyrrolidin- 1- yl)methyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)CN1CCCC1=O

STK529791
Synonyms: (5E)- 1- [2- (4- fluorophenyl)ethyl]- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Fc1ccc(cc1)CCN1C(=O)NC(=O)/C(=C\C=C\c2ccco2)/C1=O

STK835032
Synonyms: (2Z)- 3- [(2- ethoxyphenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCOc1ccccc1N/C=C(\c1scc(n1)c1cc2ccccc2oc1=O)/C#N

STK835034
Synonyms: 1,7- dibenzyl- 3- methyl- 8- (methylsulfanyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1

STK835035
Synonyms: 6- (4- fluorophenyl)- 3,3,5,5- tetramethyldihydro- 2H- pyran- 2,4(3H)- dione
Smiles: Fc1ccc(cc1)C1OC(=O)C(C(=O)C1(C)C)(C)C

STK835037
Synonyms: (2E)- 3- [(4- bromophenyl)amino]- 2- [4- (4- ethoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccc(cc1)Br)/C#N

STK835038
Synonyms: 4- (2- chlorophenyl)- 6- oxo- 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCC(=O)c2cccs2)NC(=O)CC1c1ccccc1Cl

STK529803
Synonyms: ethyl4- [2- hydroxy- 2- (5- methoxy- 1H- indol- 3- yl)ethyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CC(c1c[nH]c2c1cc(OC)cc2)O

STK835039
Synonyms: 2- hydroxy- N'- [(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]- 2,2- bis(3- methylphenyl)acetohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)C(c1cccc(c1)C)(c1cccc(c1)C)O

STK529810
Synonyms: 6- [(E)- {2- [7- (2- hydroxyethyl)- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]hydrazinylidene}methyl]- 2,3- dimethoxybenzoicacid
Smiles: OCCn1c(N/N=C/c2ccc(c(c2C(=O)O)OC)OC)nc2c1c(=O)n(c(=O)n2C)C

STK835041
Synonyms: (2E)- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 3- [(2- nitrophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)Br

STK835042
Synonyms: (2E)- 3- [(2- chlorophenyl)amino]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1Cl)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK835043
Synonyms: 2- [6- (4- methylphenyl)- 4- phenylpyridin- 2- yl]phenol
Smiles: Cc1ccc(cc1)c1cc(cc(n1)c1ccccc1O)c1ccccc1

STK529812
Synonyms: (2- butyl- 1- benzofuran- 3- yl){4- [2- (diethylamino)ethoxy]- 3,5- diiodophenyl}methanone
Smiles: CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2

STK835044
Synonyms: 1- (3,4- dichlorophenyl)- 2- {2- imino- 3- [2- (morpholin- 4- yl)ethyl]- 2,3- dihydro- 1H- benzimidazol- 1- yl}ethanol
Smiles: OC(c1ccc(c(c1)Cl)Cl)Cn1c(=N)n(c2c1cccc2)CCN1CCOCC1

STK835046
Synonyms: 2- (4- bromophenyl)- 4- (morpholin- 4- yl)quinazoline
Smiles: Brc1ccc(cc1)c1nc(N2CCOCC2)c2c(n1)cccc2

STK529816
Synonyms: 3- (4- fluorophenoxy)- N- (furan- 2- ylmethyl)- 2- methylpropan- 1- amine
Smiles: CC(COc1ccc(cc1)F)CNCc1ccco1

STK835047
Synonyms: 7- [(2- hydroxyethyl)amino]- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: OCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1

STK529817
Synonyms: 6- hexyl- 7- hydroxy- 2- imino- N- methyl- 2H- chromene- 3- carboxamide
Smiles: CCCCCCc1cc2cc(C(=O)NC)c(=N)oc2cc1O

STK529822
Synonyms: (2E)- {[4- (dimethylamino)phenyl]imino}(phenyl)ethanenitrile
Smiles: CN(c1ccc(cc1)/N=C(\c1ccccc1)/C#N)C

STK529823
Synonyms: 5- [(E)- {2- [(2- hydroxyphenyl)carbonyl]hydrazinylidene}methyl]- 4- (3- methylpyridinium- 1- yl)- 2- oxo- 1,3- thiazol- 3- ide
Smiles: O=c1[n-]c(c(s1)/C=N/NC(=O)c1ccccc1O)[n+]1cccc(c1)C

STK529827
Synonyms: (2Z)- 3- [(4- ethoxyphenyl)amino]- 2- [4- (3- oxo- 3H- benzo[f]chromen- 2- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCOc1ccc(cc1)N/C=C(\c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1)/C#N

STK529828
Synonyms: 4,6- dimethyl- N- (3- nitrophenyl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)Nc1cccc(c1)[N+](=O)[O-]

STK835051
Synonyms: 1- (4- fluorobenzyl)pyridin- 4(1H)- imine
Smiles: Fc1ccc(cc1)Cn1ccc(=N)cc1

STK835053
Synonyms: ethyl2- (morpholin- 4- yl)- 6- (pyridin- 3- yl)- 4- (trifluoromethyl)- 4H- 1,3,5- oxadiazine- 4- carboxylate
Smiles: CCOC(=O)C1(N=C(OC(=N1)c1cccnc1)N1CCOCC1)C(F)(F)F

STK835055
Synonyms: 1,7- dibenzyl- 8- (diethylamino)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN(c1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1)CC

STK835058
Synonyms: N- {4- [(1,1- dioxido- 1,2- benzothiazol- 3- yl)oxy]butan- 2- yl}- N'- phenylethanediamide
Smiles: CC(NC(=O)C(=O)Nc1ccccc1)CCOC1=NS(=O)(=O)c2c1cccc2

STK835059
Synonyms: 6- [(2- amino- 2- oxoethyl)sulfanyl]- 5- cyano- 2- methyl- N- phenyl- 1,4- dihydro- 4,4'- bipyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)N)NC(=C(C1c1ccncc1)C(=O)Nc1ccccc1)C

STK835060
Synonyms: 1- (3,4- dichlorophenyl)- 2- [2- imino- 3- (2- methylbenzyl)- 2,3- dihydro- 1H- benzimidazol- 1- yl]ethanone
Smiles: O=C(c1ccc(c(c1)Cl)Cl)Cn1c(=N)n(c2c1cccc2)Cc1ccccc1C

STK529850
Synonyms: 1- benzyl- 4- (4- hydroxyphenyl)- 6- imino- 3- methyl- 1,4,5,6- tetrahydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1C(=N)Oc2c(C1c1ccc(cc1)O)c(C)nn2Cc1ccccc1

STK529851
Synonyms: N- (2,6- dichloro- 4- sulfamoylphenyl)- 2- hydroxy- 4- oxo- 1,4- dihydroquinoline- 3- carboxamide
Smiles: O=C(c1c(O)[nH]c2c(c1=O)cccc2)Nc1c(Cl)cc(cc1Cl)S(=O)(=O)N

STK835064
Synonyms: (2E)- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]- 3- [(3,5- dimethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(C)cc(c1)C)/c1scc(n1)c1ccc(c(c1)OC)OC

STK835065
Synonyms: (2E)- 3- [(4- methoxyphenyl)amino]- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)OC)/c1scc(n1)c1ccc(cc1)CC(C)C

STK529856
Synonyms: 4- (naphthalen- 1- yloxy)- N- (tetrahydrofuran- 2- ylmethyl)butan- 1- amine
Smiles: C(NCC1CCCO1)CCCOc1cccc2c1cccc2

STK529857
Synonyms: 3- (3,4- dimethoxyphenyl)- 4,6,6- trimethyl- 5,6- dihydropyridin- 2(1H)- one
Smiles: COc1cc(ccc1OC)C1=C(C)CC(NC1=O)(C)C

STK529859
Synonyms: 5- [(cyclohexyloxy)methyl]quinolin- 8- ol
Smiles: Oc1ccc(c2c1nccc2)COC1CCCCC1

STK835069
Synonyms: (2E)- 2- [4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]- 3- {[2- (propan- 2- yl)phenyl]amino}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1C(C)C)/c1scc(n1)c1ccc(cc1)F

STK529861
Synonyms: (2Z)- 3- [(2,3- dichlorophenyl)amino]- 2- (4- phenyl- 1,3- thiazol- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1Cl)Cl)/c1scc(n1)c1ccccc1

STK529862
Synonyms: 1- ethyl- 6- fluoro- 7- (4- methylpiperazin- 1- yl)- 4- oxo- N- pentyl- 1,4- dihydroquinoline- 3- carboxamide
Smiles: CCCCCNC(=O)c1cn(CC)c2c(c1=O)cc(c(c2)N1CCN(CC1)C)F

STK529876
Synonyms: 2- (2,4- dinitrophenoxy)- 3,5,7- trimethylcyclohepta- 2,4,6- trien- 1- one
Smiles: Cc1cc(C)c(c(=O)c(c1)C)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK835074
Synonyms: (2Z)- 3- [(2,5- dimethylphenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(C)ccc1C)/c1scc(n1)c1cc2ccccc2oc1=O

STK835075
Synonyms: (2E)- 3- [(3,4- dimethylphenyl)amino]- 2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1ccc(cc1)C

STK529880
Synonyms: N- [(4Z)- 1- (3- methoxyphenyl)- 7,7- dimethyl- 2- (methylsulfanyl)- 8- oxa- 1,3- diazaspiro[4.5]dec- 2- en- 4- ylidene]- 2- methylaniline
Smiles: CSC1=N/C(=N\c2ccccc2C)/C2(N1c1cccc(c1)OC)CCOC(C2)(C)C

STK835076
Synonyms: ethyl(7Z)- 3- amino- 4- (furan- 2- yl)- 7- (furan- 2- ylmethylidene)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)/C(=C\c2ccco2)/CC1

STK835079
Synonyms: 2- methyl- 3- {(2E)- 2- [1- (pyridin- 3- yl)ethylidene]hydrazinyl}quinoxaline
Smiles: C/C(=N\Nc1nc2ccccc2nc1C)/c1cccnc1

STK529886
Synonyms: (2E)- 2- [4- (biphenyl- 4- yl)- 1,3- thiazol- 2- yl]- 3- [(2- methoxyphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1OC)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK529887
Synonyms: 1- [(4aS)- dodecahydro- 10H- phenothiazin- 10- yl]ethanone
Smiles: CC(=O)N1C2CCCCC2S[C@@H]2C1CCCC2

STK529889
Synonyms: 3- (diethylamino)propylethoxy(diphenyl)acetate
Smiles: CCOC(c1ccccc1)(c1ccccc1)C(=O)OCCCN(CC)CC

STK529891
Synonyms: (2Z)- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(4- ethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)CC)/c1scc(n1)c1ccc(cc1)Cl

STK529895
Synonyms: 2- [4- (9H- fluoren- 9- yl)piperazin- 1- yl]- 1- (1H- indol- 3- yl)ethanone
Smiles: O=C(c1c[nH]c2c1cccc2)CN1CCN(CC1)C1c2ccccc2c2c1cccc2

STK835085
Synonyms: ethyl4- {[(E)- 2- cyano- 2- (4- phenyl- 1,3- thiazol- 2- yl)ethenyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1ccccc1)\C#N

STK835086
Synonyms: 7- [3- (4- chlorophenoxy)- 2- hydroxypropyl]- 3- methyl- 8- (morpholin- 4- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCOCC1)COc1ccc(cc1)Cl

STK529902
Synonyms: 3,5- di- tert- butyl- 4- hydroxy- N- methylbenzenecarbothioamide
Smiles: CNC(=S)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK835089
Synonyms: 4- {(E)- [2- ([1,2,4]triazolo[4,3- a]quinoxalin- 4- yl)hydrazinylidene]methyl}benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)/C=N/Nc1nc2ccccc2n2c1nnc2

STK529903
Synonyms: (2E)- 1- (8- ethoxy- 4,4- dimethyl- 1- thioxo- 1,4- dihydro- 5H- [1,2]dithiolo[3,4- c]quinolin- 5- yl)- 3- phenylprop- 2- en- 1- one
Smiles: CCOc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)/C=C/c1ccccc1)(C)C

STK835090
Synonyms: 6- bromo- 5- methyl- 2- (trifluoromethyl)- 1H- imidazo[4,5- b]pyridine
Smiles: Brc1cc2[nH]c(nc2nc1C)C(F)(F)F

STK835094
Synonyms: 1- (diphenylamino)- 3- (morpholin- 4- yl)propan- 2- ol
Smiles: OC(CN1CCOCC1)CN(c1ccccc1)c1ccccc1

STK529906
Synonyms: (4- bromophenyl)(4,4,6- trimethyl- 1- thioxo- 1,4- dihydro- 5H- [1,2]dithiolo[3,4- c]quinolin- 5- yl)methanone
Smiles: Brc1ccc(cc1)C(=O)N1c2c(C)cccc2c2c(C1(C)C)ssc2=S

STK835095
Synonyms: 3,3',3''- (2,4,6- trioxo- 1,3,5- triazinane- 1,3,5- triyl)tripropanenitrile
Smiles: N#CCCn1c(=O)n(CCC#N)c(=O)n(c1=O)CCC#N

STK835097
Synonyms: 7- (2- chlorobenzyl)- 3- methyl- 8- (methylsulfanyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CSc1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c(=O)n2C

STK529908
Synonyms: (2E)- 2- [4- (3- oxo- 3H- benzo[f]chromen- 2- yl)- 1,3- thiazol- 2- yl]- 3- {[4- (propan- 2- yl)phenyl]amino}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)C(C)C)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

STK529920
Synonyms: (2E)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(4- iodophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)I)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK529922
Synonyms: (2Z)- 3- [(3- chloro- 2- methylphenyl)amino]- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1C)Cl)/c1scc(n1)c1ccc(cc1)OC

STK835102
Synonyms: 5- methoxy- 2- (1H- pyrazol- 3- yl)phenol
Smiles: COc1ccc(c(c1)O)c1n[nH]cc1

STK835103
Synonyms: 2- [bis(5- methylfuran- 2- yl)methyl]- 4- chlorophenol
Smiles: Clc1ccc(c(c1)C(c1ccc(o1)C)c1ccc(o1)C)O

STK529927
Synonyms: (2Z)- 3- [(2,4- dimethoxyphenyl)amino]- 2- [4- (3- oxo- 3H- benzo[f]chromen- 2- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: COc1ccc(c(c1)OC)N/C=C(\c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1)/C#N

STK835104
Synonyms: 5- [(pentyloxy)methyl]- 3- {(2E)- 2- [2- (4- phenyl- 1,3- thiazol- 2- yl)hydrazinylidene]propyl}dihydrofuran- 2(3H)- one(non- preferredname)
Smiles: CCCCCOCC1CC(C(=O)O1)C/C(=N/Nc1scc(n1)c1ccccc1)/C

STK835105
Synonyms: 3- (phenylcarbonyl)spiro[1,3- benzoxazine- 2,1'- cyclohexan]- 4(3H)- one
Smiles: O=C(N1C(=O)c2ccccc2OC21CCCCC2)c1ccccc1

STK529928
Synonyms: 3- amino- 4- (2- methoxyphenyl)- 6- (2- methylpropyl)pyridine- 2- carbonitrile
Smiles: N#Cc1nc(CC(C)C)cc(c1N)c1ccccc1OC

STK529930
Synonyms: (2E)- 2- [4- (biphenyl- 4- yl)- 1,3- thiazol- 2- yl]- 3- [(3- chloro- 4- methylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)C)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK835107
Synonyms: 2- (3- butyl- 2- imino- 2,3- dihydro- 1H- benzimidazol- 1- yl)- 1- (3,4- dichlorophenyl)ethanol
Smiles: CCCCn1c(=N)n(c2c1cccc2)CC(c1ccc(c(c1)Cl)Cl)O

STK835109
Synonyms: (2E)- 3- [(2,4- dimethylphenyl)amino]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C)C)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK529931
Synonyms: (2E)- 3- [(2- ethylphenyl)amino]- 2- [4- (6- nitro- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1CC)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK835110
Synonyms: (2E)- 3- [(3- bromophenyl)amino]- 2- [4- (3,4- dimethylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1ccc(c(c1)C)C

STK835113
Synonyms: 7- phenyl- 7H- [1,2,3]triazolo[4,5- e][2,1,3]benzoxadiazole
Smiles: c1ccc(cc1)n1nc2c(n1)c1nonc1cc2

STK529932
Synonyms: 1- (1H- indol- 3- yl)- 2- (3- methylpiperidin- 1- yl)ethanone
Smiles: CC1CCCN(C1)CC(=O)c1c[nH]c2c1cccc2

STK529935
Synonyms: 2- [(6,10- dicyano- 9- oxo- 8- azaspiro[4.5]dec- 6- en- 7- yl)sulfanyl]- N- phenylacetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C(C21CCCC2)C#N

STK529939
Synonyms: 2- chloro- 3- [(4- methoxybenzyl)amino]naphthalene- 1,4- dione
Smiles: COc1ccc(cc1)CNC1=C(Cl)C(=O)c2c(C1=O)cccc2

STK835117
Synonyms: 6- bromo- 3- [(2E)- 3- (7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)prop- 2- enoyl]- 4- phenylquinolin- 2(1H)- one
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)/C=C/C(=O)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Br

STK835120
Synonyms: (2E)- 1- (4,4- dimethyl- 1- thioxo- 1,4- dihydro- 5H- [1,2]dithiolo[3,4- c]quinolin- 5- yl)- 3- phenylprop- 2- en- 1- one
Smiles: O=C(N1c2ccccc2c2c(C1(C)C)ssc2=S)/C=C/c1ccccc1

STK835121
Synonyms: N,N'- bis(2- oxo- 2H- chromen- 6- yl)benzene- 1,4- dicarboxamide
Smiles: O=c1ccc2c(o1)ccc(c2)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(c1)ccc(=O)o2

STK529945
Synonyms: (2E)- 3- [(3,5- dichlorophenyl)amino]- 2- [4- (3- oxo- 3H- benzo[f]chromen- 2- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(Cl)cc(c1)Cl)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

STK835122
Synonyms: 4- (pyrrolidin- 1- yl)[1,2,4]triazolo[4,3- a]quinoxaline
Smiles: C1CCN(C1)c1nc2ccccc2n2c1nnc2

STK529947
Synonyms: 2- amino- 5- (propan- 2- yl)benzenesulfonicacid
Smiles: CC(c1ccc(c(c1)S(=O)(=O)O)N)C

STK835127
Synonyms: (2E)- 3- [(4- chlorophenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Cl)/c1scc(n1)c1cc2ccccc2oc1=O

STK529951
Synonyms: (2E)- 3- [(3- chloro- 4- methylphenyl)amino]- 2- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)C)/c1scc(n1)c1ccc(cc1C)C

STK529953
Synonyms: (2E)- 3- [(2- chlorophenyl)amino]- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1Cl)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK835131
Synonyms: (2E)- 2- [4- (biphenyl- 4- yl)- 1,3- thiazol- 2- yl]- 3- [(4- iodophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)I)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK529957
Synonyms: (2E)- 3- [(3,4- dichlorophenyl)amino]- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)Cl)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK529958
Synonyms: 1,2,2- tricyano- 5- oxo- 3- phenylcyclohexanecarboxamide
Smiles: N#CC1(C#N)C(CC(=O)CC1(C#N)C(=O)N)c1ccccc1

STK835133
Synonyms: N- benzyl- 3- (3,5- dimethyl- 1H- pyrazol- 1- yl)quinoxalin- 2- amine
Smiles: Cc1cc(n(n1)c1nc2ccccc2nc1NCc1ccccc1)C

STK529961
Synonyms: ethyl{2- [(4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)carbonyl]hydrazinyl}(oxo)acetate
Smiles: CCOC(=O)C(=O)NNC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK529963
Synonyms: 2,5- dimethyl- N,N'- di(naphthalen- 1- yl)piperazine- 1,4- dicarboxamide
Smiles: CC1CN(C(CN1C(=O)Nc1cccc2c1cccc2)C)C(=O)Nc1cccc2c1cccc2

STK529964
Synonyms: 8- (azepan- 1- yl)- 7- hexadecyl- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCCCCCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCCC1

STK529971
Synonyms: (2Z)- 3- [(4- chloro- 2,5- dimethoxyphenyl)amino]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(OC)c(cc1OC)Cl)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK529972
Synonyms: ethyl3- [({4- hydroxy- 4- [3- (trifluoromethyl)phenyl]piperidin- 1- yl}acetyl)amino]- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(CC1)(O)c1cccc(c1)C(F)(F)F)cc(cc2)OC

STK835135
Synonyms: 8- (dimethylamino)- 7- hexyl- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N(C)C

STK529975
Synonyms: (2Z)- 3- (4- nitrophenyl)- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/c1ccc(cc1)[N+](=O)[O-])/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK529977
Synonyms: 2,5- dimethyl- 1- (2- phenylethyl)piperidin- 4- one
Smiles: CC1CC(=O)C(CN1CCc1ccccc1)C

STK529981
Synonyms: N- tert- butyl- 3- (morpholin- 4- yl)propanamide
Smiles: O=C(NC(C)(C)C)CCN1CCOCC1

STK835136
Synonyms: N- {5- [(Z)- 1- cyano- 2- (4- methoxyphenyl)ethenyl]- 1,3,4- thiadiazol- 2- yl}- 3- methylbenzamide
Smiles: N#C/C(=C/c1ccc(cc1)OC)/c1nnc(s1)NC(=O)c1cccc(c1)C

STK529987
Synonyms: 8- methyl- 3- [3- (4- methylpiperazin- 1- yl)propyl]- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CN1CCN(CC1)CCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)C

STK835138
Synonyms: 5,5- dimethyl- 2- phenyl- 4- (pyridin- 2- yl)- 2,5- dihydro- 1H- imidazol- 1- ol
Smiles: ON1C(N=C(C1(C)C)c1ccccn1)c1ccccc1

STK529991
Synonyms: methyl3- {[3- (3,3- dimethylpiperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC(C1)(C)C)cccc2

STK529994
Synonyms: 2- chloro- N- [4- chloro- 6- (dimethylamino)- 1,3,5- triazin- 2- yl]- N- methoxybenzenesulfonamide
Smiles: CON(S(=O)(=O)c1ccccc1Cl)c1nc(Cl)nc(n1)N(C)C

STK835139
Synonyms: 2- phenylhexahydro- 1H- benzimidazole- 1,3(2H)- diol
Smiles: ON1C2CCCCC2N(C1c1ccccc1)O

STK529996
Synonyms: 3- [(2- phenyl- 1,3- dioxolan- 2- yl)methyl]- 1H- indole
Smiles: c1ccc(cc1)C1(OCCO1)Cc1c[nH]c2c1cccc2

STK835140
Synonyms: (2E)- 3- [(2- iodophenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1I)/c1scc(n1)c1cc2ccccc2oc1=O

STK835141
Synonyms: (2E)- 3- [(4- methylphenyl)amino]- 2- [4- (6- nitro- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)C)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK529998
Synonyms: phenyl[6- phenyl- 1- (phenylamino)- 1,2,3,4- tetrahydropyridin- 3- yl]methanone
Smiles: O=C(C1CC=C(N(C1)Nc1ccccc1)c1ccccc1)c1ccccc1

STK529999
Synonyms: (2Z)- 3- [(2,5- dichlorophenyl)amino]- 2- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)ccc1Cl)/c1scc(n1)c1ccc(cc1)CC

STK835146
Synonyms: 2- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 6- cyclopropyl- 4- (4- methoxyphenyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)Br)nc(cc1c1ccc(cc1)OC)C1CC1

STK530002
Synonyms: 3- imino- 1,7- dimethyl- 5- phenyl- 2,6- dioxabicyclo[2.2.2]octane- 4,8,8- tricarbonitrile
Smiles: N#CC12C(=N)OC(OC1c1ccccc1)(C(C2(C#N)C#N)C)C

STK530005
Synonyms: (2E)- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 3- [(3- methoxyphenyl)amino]prop- 2- enenitrile
Smiles: COc1cccc(c1)N/C=C(/c1scc(n1)c1ccc(cc1)Br)\C#N

STK530008
Synonyms: (2Z)- 3- (4- hydroxy- 3- methoxyphenyl)- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)OC)O)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK530009
Synonyms: [4- chloro- 6- (ethylamino)- 1,3,5- triazin- 2- yl][(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]cyanamide
Smiles: CCNc1nc(Cl)nc(n1)N(CN1C(=O)c2c(C1=O)cccc2)C#N

STK530012
Synonyms: 1- (morpholin- 4- yl)- 3- [4- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)phenoxy]propan- 2- ol
Smiles: OC(CN1CCOCC1)COc1ccc(cc1)C12CC3CC(C2)CC(C1)C3

STK530014
Synonyms: 3- amino- 1- (4- ethoxyphenyl)pyrrolidine- 2,5- dione
Smiles: CCOc1ccc(cc1)N1C(=O)CC(C1=O)N

STK530016
Synonyms: (2E)- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 3- [(3,4- dimethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1ccc(cc1)Br

STK835149
Synonyms: 3- methyl- 7- (3- methylbutyl)- 8- (pentylsulfanyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCSc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C

STK835150
Synonyms: 2- (4- fluorophenyl)- 2,3- dihydro- 4H- 1,3- benzoxazin- 4- one
Smiles: Fc1ccc(cc1)C1NC(=O)c2c(O1)cccc2

STK835151
Synonyms: 2- amino- 4- ethyl- 6- {[2- oxo- 2- (2- oxo- 2H- chromen- 3- yl)ethyl]sulfanyl}pyridine- 3,5- dicarbonitrile
Smiles: N#Cc1c(SCC(=O)c2cc3ccccc3oc2=O)nc(c(c1CC)C#N)N

STK835152
Synonyms: (2E)- 2- [4- (biphenyl- 4- yl)- 1,3- thiazol- 2- yl]- 3- [(3- butoxyphenyl)amino]prop- 2- enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1ccc(cc1)c1ccccc1)\C#N

STK835153
Synonyms: 2,4- bis(2,4- dimethoxyphenyl)- 2- methyl- 2,3- dihydro- 1H- 1,5- benzodiazepine
Smiles: COc1ccc(c(c1)OC)C1=Nc2ccccc2NC(C1)(C)c1ccc(cc1OC)OC

STK530019
Synonyms: 4- ethoxy- N,N- diethyl- 3- (1- methyl- 7- oxo- 3- propyl- 6,7- dihydro- 1H- pyrazolo[4,3- d]pyrimidin- 5- yl)benzenesulfonamide
Smiles: CCOc1ccc(cc1c1[nH]c(=O)c2c(n1)c(CCC)nn2C)S(=O)(=O)N(CC)CC

STK530020
Synonyms: 4,5- diphenyl- 2- (2,4,6- trimethylphenyl)- 1H- imidazole
Smiles: Cc1cc(C)c(c(c1)C)c1nc(c([nH]1)c1ccccc1)c1ccccc1

STK835156
Synonyms: 5,5- dimethyl- 3- phenyl- 5,6- dihydro[1,2,4]triazolo[3,4- a]isoquinoline
Smiles: CC1(C)Cc2ccccc2c2n1c(nn2)c1ccccc1

STK530025
Synonyms: methyl5- methyl- 3- {[3- (3- methylpiperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC(C1)C)cc(cc2)C

STK835157
Synonyms: 8- phenyl- 4,5- dihydro[1,2,5]oxadiazolo[3,4- f]cinnoline
Smiles: c1ccc(cc1)c1nnc2c(c1)c1nonc1CC2

STK530027
Synonyms: 2- [bis(5- methylfuran- 2- yl)methyl]- 6- methyl- 4- nitrophenol
Smiles: Cc1ccc(o1)C(c1cc(cc(c1O)C)[N+](=O)[O-])c1ccc(o1)C

STK835158
Synonyms: N- (2- nitro- 1- phenylethyl)aniline
Smiles: [O-][N+](=O)CC(c1ccccc1)Nc1ccccc1

STK530028
Synonyms: N'- (2,1,3- benzoxadiazol- 4- ylsulfonyl)acetohydrazide
Smiles: CC(=O)NNS(=O)(=O)c1cccc2c1non2

STK530030
Synonyms: 5- {1- [(4- methylphenyl)amino]ethylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CC(=C1C(=O)NC(=O)NC1=O)Nc1ccc(cc1)C

STK530033
Synonyms: 7- [3- (4- chlorophenoxy)- 2- hydroxypropyl]- 8- (hexylsulfanyl)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCSc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)[nH]c(=O)n2C

STK530040
Synonyms: (2E)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(4- butoxyphenyl)amino]prop- 2- enenitrile
Smiles: CCCCOc1ccc(cc1)N/C=C(/c1scc(n1)c1cc2cc(Br)ccc2oc1=O)\C#N

STK530043
Synonyms: N- {6- [bis(5- methylfuran- 2- yl)methyl]- 1,3- benzodioxol- 5- yl}acetamide
Smiles: CC(=O)Nc1cc2OCOc2cc1C(c1ccc(o1)C)c1ccc(o1)C

STK530045
Synonyms: 3- (prop- 2- yn- 1- yl)quinazolin- 4(3H)- one
Smiles: C#CCn1cnc2c(c1=O)cccc2

STK530048
Synonyms: 5- [(E)- {2- [(2- hydroxyphenyl)carbonyl]hydrazinylidene}methyl]- 4- (4- methylpyridinium- 1- yl)- 2- oxo- 1,3- thiazol- 3- ide
Smiles: Cc1cc[n+](cc1)c1[n-]c(=O)sc1/C=N/NC(=O)c1ccccc1O

STK835169
Synonyms: (2Z)- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]- 3- (phenylamino)prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccccc1)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK530053
Synonyms: (5E)- 5- (hydroxyimino)- 6- oxo- 3- (prop- 1- en- 2- yl)heptanenitrile
Smiles: N#CCC(C(=C)C)C/C(=N\O)/C(=O)C

STK835171
Synonyms: (2Z)- 3- [(2,4- dimethoxyphenyl)amino]- 2- [4- (3,4- dimethylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: COc1ccc(c(c1)OC)N/C=C(\c1scc(n1)c1ccc(c(c1)C)C)/C#N

STK530054
Synonyms: methyl(5E)- 5- [(heptylamino)methylidene]- 2,2- dimethyl- 4,6- dioxocyclohexanecarboxylate
Smiles: CCCCCCCN/C=C/1\C(=O)CC(C(C1=O)C(=O)OC)(C)C

STK530055
Synonyms: 2- {[8,8- dimethyl- 4- oxo- 3- (prop- 2- en- 1- yl)- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)N)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK530058
Synonyms: quinoline- 5,8- diamine
Smiles: Nc1ccc(c2c1nccc2)N

STK835175
Synonyms: N- [(6- bromo- 2- oxo- 4- phenyl- 1,2- dihydroquinolin- 3- yl)methyl]- 4- methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)NCc1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Br

STK835176
Synonyms: 5- chloro- 4- hydroxy- 6H- pyrido[3,2,1- jk]carbazol- 6- one
Smiles: Clc1c(O)c2cccc3c2n(c1=O)c1ccccc31

STK835178
Synonyms: 4,6- dichloro- 5- nitro- 2,1,3- benzoxadiazole
Smiles: [O-][N+](=O)c1c(Cl)cc2c(c1Cl)non2

STK835179
Synonyms: 1,2,4,5- tetrahydro- 3H- 2- benzazepin- 3- one
Smiles: O=C1NCc2c(CC1)cccc2

STK530079
Synonyms: 8- methyl- 4- phenyl- 1- (propan- 2- ylsulfanyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC1CCc2c(C1)sc1c2c(=O)n(c2n1c(nn2)SC(C)C)c1ccccc1

STK530080
Synonyms: N- [(Z)- amino(4- amino- 1,2,5- oxadiazol- 3- yl)methylidene]acetamide
Smiles: CC(=O)/N=C(/c1nonc1N)\N

STK530086
Synonyms: 2- {[5- (ethoxymethyl)- 2- methylpyrimidin- 4- yl]amino}- 1- (1H- indol- 3- yl)ethanone
Smiles: CCOCc1cnc(nc1NCC(=O)c1c[nH]c2c1cccc2)C

STK530090
Synonyms: {[(2Z)- 2- (acetylamino)- 3- (1,3- benzodioxol- 5- yl)prop- 2- enoyl]amino}(phenyl)aceticacid
Smiles: CC(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)NC(c1ccccc1)C(=O)O

STK530093
Synonyms: 4- ({[2- (3- methylbutoxy)phenyl]carbonyl}amino)butanoicacid
Smiles: CC(CCOc1ccccc1C(=O)NCCCC(=O)O)C

STK530094
Synonyms: 1,5- anhydro- 2- deoxy- 3- C- methyl- D- erythro- pentitol
Smiles: O[C@@H]1COCC[C@]1(C)O

STK835189
Synonyms: 5- (3,4- dihydroxyphenyl)- 2,3,5,6- tetrahydrobenzo[a]phenanthridin- 4(1H)- one
Smiles: O=C1CCCC2=C1C(Nc1c2c2ccccc2cc1)c1ccc(c(c1)O)O

STK530100
Synonyms: 2- [4- (2- fluorophenyl)piperazin- 1- yl]- 1- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCN(CC1)c1ccccc1F)O)c(n2C)C

STK530101
Synonyms: methyl3- ({N- [2- (3,4- dimethoxyphenyl)ethyl]- N- methylglycyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN(CCc1ccc(c(c1)OC)OC)C)cccc2

STK835192
Synonyms: ethyl6- oxo- 6H- anthra[1,9- cd][1,2]oxazole- 3- carboxylate
Smiles: CCOC(=O)c1ccc2c3c1noc3c1c(C2=O)cccc1

STK530105
Synonyms: 5- hydroxy- 1H- indole- 2- carboxylicacid
Smiles: Oc1ccc2c(c1)cc([nH]2)C(=O)O

STK835193
Synonyms: (2E)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- (3- nitrophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cccc(c1)[N+](=O)[O-])/c1scc(n1)c1ccc2c(c1)OCO2

STK835194
Synonyms: (2Z)- N- hydroxy- 4- [3- (5- methylfuran- 2- yl)- 1- benzofuran- 2- yl]butan- 2- imine
Smiles: O/N=C(\CCc1oc2c(c1c1ccc(o1)C)cccc2)/C

STK530112
Synonyms: 3- (4- chlorophenyl)- 1- (5- methyl- 4,5- dihydro- 1,3- thiazol- 2- yl)- 1- (pyridin- 3- ylmethyl)urea
Smiles: CC1CN=C(S1)N(C(=O)Nc1ccc(cc1)Cl)Cc1cccnc1

STK530113
Synonyms: 2,2'- (9H- carbazole- 3,6- diyl)diaceticacid
Smiles: OC(=O)Cc1ccc2c(c1)c1cc(ccc1[nH]2)CC(=O)O

STK530114
Synonyms: 8- methoxy- 4- (4- methylpiperazin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)C

STK530119
Synonyms: 3- {4- oxo- 2- [(E)- 2- phenylethenyl]quinazolin- 3(4H)- yl}benzoicacid
Smiles: OC(=O)c1cccc(c1)n1c(/C=C/c2ccccc2)nc2c(c1=O)cccc2

STK530121
Synonyms: 9,10- dimethoxy- 6- phenyl- 6,6a- dihydroisoindolo[2,1- a]quinazoline- 5,11- dione
Smiles: COc1ccc2c(c1OC)C(=O)N1C2N(c2ccccc2)C(=O)c2c1cccc2

STK530125
Synonyms: butyl2- {[(2Z)- 3- bromo- 6- oxo- 6,11- dihydro- 2H- pyrimido[2,1- b]quinazolin- 2- ylidene]amino}benzoate
Smiles: CCCCOC(=O)c1ccccc1/N=c/1\nc2[nH]c3ccccc3c(=O)n2cc1Br

STK530128
Synonyms: ethyloxo(1- oxo- 2,3,4,9- tetrahydro- 1H- carbazol- 2- yl)acetate
Smiles: CCOC(=O)C(=O)C1CCc2c(C1=O)[nH]c1c2cccc1

STK835197
Synonyms: ethyl[(4- ethyl- 5- oxo- 5,7- dihydro- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 1- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2CC)CCCCC3

STK530129
Synonyms: N- benzyl- 6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- amine
Smiles: Cc1ccc2c(c1)c1CCCC(c1[nH]2)NCc1ccccc1

STK530131
Synonyms: (6Z)- 5- diazo- 1,3- dimethyl- 6- {(2E)- [(5- nitrofuran- 2- yl)methylidene]hydrazinylidene}dihydropyrimidine- 2,4(1H,3H)- dione
Smiles: [N-]=[N+]=C1/C(=N/N=C/c2ccc(o2)[N+](=O)[O-])/N(C)C(=O)N(C1=O)C

STK530134
Synonyms: methyl2,4- dioxo- 6- phenylcyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)CC(=O)CC1c1ccccc1

STK530135
Synonyms: 1- [1- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)- 1- oxopropan- 2- yl]piperidine- 4- carboxamide
Smiles: COc1ccc2c(c1)c(C(=O)C(N1CCC(CC1)C(=O)N)C)c(n2C)C

STK530137
Synonyms: (3- amino- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridin- 2- yl)(tricyclo[3.3.1.1~3,7~]dec- 1- yl)methanone
Smiles: Nc1c2cc3CCCCCc3nc2sc1C(=O)C12CC3CC(C2)CC(C1)C3

STK530139
Synonyms: 1- (benzylsulfanyl)- 8- tert- butyl- 4- methyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cn1c2nnc(n2c2c(c1=O)c1CCC(Cc1s2)C(C)(C)C)SCc1ccccc1

STK530140
Synonyms: N- [4- (3,6- dioxocyclohexa- 1,4- dien- 1- yl)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)C1=CC(=O)C=CC1=O

STK530141
Synonyms: 2- (pyridin- 3- yl)- 1,3- thiazole- 4- carboxylicacid
Smiles: OC(=O)c1csc(n1)c1cccnc1

STK530142
Synonyms: N- [(2E)- 2- (acetylamino)- 3- (1,3- benzodioxol- 5- yl)prop- 2- enoyl]valine
Smiles: CC(=O)N/C(=C/c1ccc2c(c1)OCO2)/C(=O)NC(C(=O)O)C(C)C

STK530144
Synonyms: N- {(2E)- 3- (4- methoxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}phenylalanine
Smiles: COc1ccc(cc1)/C=C(\C(=O)NC(C(=O)O)Cc1ccccc1)/NC(=O)c1ccccc1

STK530145
Synonyms: (2E)- 1- (3,4- dimethoxyphenyl)- 3- phenylprop- 2- en- 1- one
Smiles: COc1cc(ccc1OC)C(=O)/C=C/c1ccccc1

STK530146
Synonyms: (5E)- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]- 1- (naphthalen- 1- yl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)/C(=C\C=C\c2ccco2)/C(=O)N1c1cccc2c1cccc2

STK530150
Synonyms: 5- (acetyloxy)pyridine- 3- carboxylicacid
Smiles: CC(=O)Oc1cncc(c1)C(=O)O

STK530152
Synonyms: 2- methoxy- 1- (3- methyl- 1H- indol- 2- yl)ethanone
Smiles: COCC(=O)c1[nH]c2c(c1C)cccc2

STK835205
Synonyms: N- [(6- chloro- 2- oxo- 4- phenyl- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)CNS(=O)(=O)c1ccccc1

STK530160
Synonyms: 1- [5- methyl- 3- (pentafluoroethyl)- 1H- pyrazol- 4- yl]ethanone
Smiles: CC(=O)c1c(C)[nH]nc1C(C(F)(F)F)(F)F

STK530161
Synonyms: N- (3- hydroxy- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)- N- methylacetamide
Smiles: CC(=O)N(C1=C(O)C(=O)c2c(C1=O)cccc2)C

STK835208
Synonyms: 4- [(1R,4S)- bicyclo[2.2.1]hept- 2- yl]benzene- 1,2- diol
Smiles: Oc1ccc(cc1O)C1C[C@H]2C[C@@H]1CC2

STK530169
Synonyms: 2,3- dihydro- 1,4- benzodioxine- 5- carboxylicacid
Smiles: OC(=O)c1cccc2c1OCCO2

STK530170
Synonyms: 8- methoxy- N- (4- methoxybenzyl)- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: COc1ccc(cc1)CNc1ncnc2c1[nH]c1c2cc(cc1)OC

STK835213
Synonyms: 2- amino- 5- [4- (propan- 2- yloxy)benzyl]pyrimidine- 4,6- diol
Smiles: CC(Oc1ccc(cc1)Cc1c(O)nc(nc1O)N)C

STK530175
Synonyms: 2- hexadecyl- 1H- benzimidazol- 6- ol
Smiles: CCCCCCCCCCCCCCCCc1nc2c([nH]1)cc(cc2)O

STK530176
Synonyms: ethyl4- (2- hydroxy- 5- methoxyphenyl)- 1,6- dimethyl- 2- oxo- 1,2,3,4- tetrahydropyrimidine- 5- carboxylate
Smiles: CCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc(OC)ccc1O

STK530177
Synonyms: 5- [(3- hydroxypropyl)amino]- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: OCCCNc1ccc2c3c1C(=O)c1ccccc1c3on2

STK835216
Synonyms: 5- butyl- N- (2- phenylethyl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- amine
Smiles: CCCCc1nc2sc3c(c2c2c1CCCC2)ncnc3NCCc1ccccc1

STK530180
Synonyms: ethyl3- ({[4- (4- fluorophenyl)- 3,6- dihydropyridin- 1(2H)- yl]acetyl}amino)- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(=CC1)c1ccc(cc1)F)cc(cc2)OC

STK530183
Synonyms: 3- amino- 2- [2- (4- chlorophenyl)- 2- oxoethyl]- 4- formylcyclopent- 3- ene- 1,1,2- tricarbonitrile
Smiles: O=CC1=C(N)C(C(C1)(C#N)C#N)(C#N)CC(=O)c1ccc(cc1)Cl

STK530187
Synonyms: 3- amino- 4- formyl- 2- [2- (4- methylphenyl)- 2- oxoethyl]cyclopent- 3- ene- 1,1,2- tricarbonitrile
Smiles: O=CC1=C(N)C(C(C1)(C#N)C#N)(C#N)CC(=O)c1ccc(cc1)C

STK530189
Synonyms: 7- oxo- 7H- benzo[e]perimidine- 4- carboxylicacid
Smiles: OC(=O)c1ccc2c3c1ncnc3c1c(C2=O)cccc1

STK530190
Synonyms: 5- {4- methoxy- 3- [(pyridin- 2- ylsulfanyl)methyl]benzylidene}- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1CSc1ccccn1)C=C1C(=O)N(C)C(=O)N(C1=O)C

STK530191
Synonyms: 2- methyl- 9,10- dihydro- 4H- benzo[5,6]cyclohepta[1,2- d][1,3]oxazol- 4- ol
Smiles: Cc1nc2c(o1)CCc1c(C2O)cccc1

STK530194
Synonyms: 4- methoxyquinoline- 2- carboxylicacid
Smiles: COc1cc(nc2c1cccc2)C(=O)O

STK530199
Synonyms: N- [(2Z)- 2- {[(2- methoxyphenyl)carbonyl]amino}- 3- phenylprop- 2- enoyl]glycine
Smiles: COc1ccccc1C(=O)N/C(=C\c1ccccc1)/C(=O)NCC(=O)O

STK835220
Synonyms: (4aR,8bS)- 4a,8b- dihydro- 2H- 1,4- dioxa- 8c- azapentaleno[1,6- ab]inden- 2a(3H)- ylmethanol
Smiles: OCC12CO[C@@H]3N2[C@H](OC1)c1c3cccc1

STK835221
Synonyms: 1- [(E)- morpholin- 4- yldiazenyl]anthracene- 9,10- dione
Smiles: O=C1c2c(cccc2C(=O)c2c1cccc2)/N=N/N1CCOCC1

STK530204
Synonyms: 2,11- dimethyl- 4,9- dioxo- 3,5,8,10- tetraazadodecane- 1,12- dioicacid(non- preferredname)
Smiles: CC(C(=O)O)NC(=O)NCCNC(=O)NC(C(=O)O)C

STK530210
Synonyms: ethyl[10- (N,N- diethylglycyl)- 10H- phenothiazin- 2- yl]carbamate
Smiles: CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1c(S2)cccc1

STK530211
Synonyms: 4,6,7- trimethylquinazolin- 2- amine
Smiles: Nc1nc(C)c2c(n1)cc(c(c2)C)C

STK530214
Synonyms: 2- [bis(5- methylfuran- 2- yl)methyl]phenol
Smiles: Cc1ccc(o1)C(c1ccccc1O)c1ccc(o1)C

STK530215
Synonyms: (2Z)- 3- (4- hydroxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoicacid
Smiles: Oc1ccc(cc1)/C=C(/C(=O)O)\NC(=O)c1ccccc1

STK530217
Synonyms: methyl3- ({[4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]acetyl}amino)- 5- methyl- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)Cc1ccc3c(c1)OCO3)cc(cc2)C

STK530220
Synonyms: methyl3- butanoyl- 6,6- dimethyl- 2- oxo- 4- [(2- phenylethyl)amino]cyclohex- 3- ene- 1- carboxylate
Smiles: CCCC(=O)C1=C(NCCc2ccccc2)CC(C(C1=O)C(=O)OC)(C)C

STK530224
Synonyms: methyl1- (furan- 2- ylmethyl)- 6- oxo- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1ccc(=O)n(c1)Cc1ccco1

STK530227
Synonyms: 1- cyclohexyl- 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 6- hydroxypyrimidine- 2,4(1H,3H)- dione
Smiles: COc1c(OC)ccc2c1C(=O)OC2c1c(=O)[nH]c(=O)n(c1O)C1CCCCC1

STK530229
Synonyms: N- hexyl- 5- phenyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- amine
Smiles: CCCCCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)c1ccccc1

STK530231
Synonyms: 2- [(2E)- 2- benzylidene- 1- methylhydrazinyl]- 4- phenyl- 1,3- thiazole
Smiles: CN(c1scc(n1)c1ccccc1)/N=C/c1ccccc1

STK530234
Synonyms: N- (4- methoxybenzyl)- 6- oxo- 6H- anthra[1,9- cd][1,2]oxazole- 3- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1ccc2c3c1noc3c1c(C2=O)cccc1

STK835224
Synonyms: 2- (dimethylamino)- 6- (methoxymethyl)- 4- methylpyridine- 3- carbonitrile
Smiles: COCc1cc(C)c(c(n1)N(C)C)C#N

STK530239
Synonyms: methyl3- {[(4,6- dimethyl- 2- oxo- 2H- pyran- 5- yl)carbonyl]amino}thiophene- 2- carboxylate
Smiles: COC(=O)c1sccc1NC(=O)c1c(C)cc(=O)oc1C

STK530240
Synonyms: 3- phenyl- 2- (prop- 2- en- 1- ylsulfanyl)- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: C=CCSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK530245
Synonyms: 1- (3,4- dimethoxybenzyl)- N- (3,4- dimethoxyphenyl)prolinamide
Smiles: COc1ccc(cc1OC)CN1CCCC1C(=O)Nc1ccc(c(c1)OC)OC

STK530246
Synonyms: 2- (benzylamino)- 3- chloronaphthalene- 1,4- dione
Smiles: ClC1=C(NCc2ccccc2)C(=O)c2c(C1=O)cccc2

STK530248
Synonyms: 2- (4- benzylpiperidin- 1- yl)- 1- (8- fluoro- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: Fc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCC(CC1)Cc1ccccc1

STK835228
Synonyms: (2E)- 1- (5- bromo- 2- hydroxyphenyl)- 3- (3,4- dimethoxyphenyl)prop- 2- en- 1- one
Smiles: COc1cc(/C=C/C(=O)c2cc(Br)ccc2O)ccc1OC

STK530249
Synonyms: 4- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}- 5H- pyrimido[5,4- b]indole
Smiles: FC(c1cccc(c1)N1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1)(F)F

STK530250
Synonyms: 8- (4- methoxyphenoxy)- 2,3,3a,4,5,6- hexahydro- 1H- pyrazino[3,2,1- jk]carbazole
Smiles: COc1ccc(cc1)Oc1ccc2c(c1)c1CCCC3c1n2CCN3

STK530254
Synonyms: 7- hydroxy- 4- (trifluoromethyl)quinolin- 2(1H)- one
Smiles: Oc1ccc2c(c1)[nH]c(=O)cc2C(F)(F)F

STK530255
Synonyms: 3,5- dihydroxynaphthalene- 2- carboxylicacid
Smiles: OC(=O)c1cc2cccc(c2cc1O)O

STK835233
Synonyms: 7- hydroxy- 4- methylquinolin- 2(1H)- one
Smiles: Oc1ccc2c(c1)[nH]c(=O)cc2C

STK530256
Synonyms: 10- methyl- 2,3,3a,4,5,6- hexahydro- 1H- pyrazino[3,2,1- jk]carbazol- 7- amine
Smiles: Nc1ccc(c2c1c1CCCC3c1n2CCN3)C

STK530257
Synonyms: methyl4- {[(4- chlorophenyl)(dimethoxyphosphoryl)methyl]amino}benzoate
Smiles: COP(=O)(C(c1ccc(cc1)Cl)Nc1ccc(cc1)C(=O)OC)OC

STK530259
Synonyms: 2,2'- (9- pentyl- 9H- carbazole- 3,6- diyl)diaceticacid
Smiles: CCCCCn1c2ccc(cc2c2c1ccc(c2)CC(=O)O)CC(=O)O

STK530261
Synonyms: 3- [3- bromo- 5- (methoxycarbonyl)- 2- oxopyridin- 1(2H)- yl]propanoicacid
Smiles: COC(=O)c1cn(CCC(=O)O)c(=O)c(c1)Br

STK801742
Synonyms: 4- (5- methoxy- 1H- indol- 3- yl)- 1,3- thiazol- 2- amine
Smiles: COc1ccc2c(c1)c(c[nH]2)c1csc(n1)N

STK835235
Synonyms: bis(2- hydroxy- 4- methoxyphenyl)methanone
Smiles: COc1ccc(c(c1)O)C(=O)c1ccc(cc1O)OC

STK835237
Synonyms: N- benzyl- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCc1ccccc1

STK530269
Synonyms: N~2~- (3,3- dimethyl- 3,4- dihydroisoquinolin- 1- yl)- N- (2- methylphenyl)glycinamide
Smiles: O=C(Nc1ccccc1C)CNC1=NC(C)(C)Cc2c1cccc2

STK530270
Synonyms: 2- (2- hydroxy- 4,4- dimethyl- 6- oxocyclohex- 1- en- 1- yl)butanedioicacid
Smiles: OC(=O)CC(C1=C(O)CC(CC1=O)(C)C)C(=O)O

STK835238
Synonyms: 1- [5- (benzyloxy)- 2- methyl- 1- benzofuran- 3- yl]ethanone
Smiles: CC(=O)c1c(C)oc2c1cc(OCc1ccccc1)cc2

STK835240
Synonyms: 4- [4- (propan- 2- yl)phenyl]- 2,3- dihydro- 1H- benzo[f]cyclopenta[c]quinoline
Smiles: CC(c1ccc(cc1)c1nc2ccc3c(c2c2c1CCC2)cccc3)C

STK530276
Synonyms: 6- methyl- 2- (2- methylpropyl)pyridin- 3- ol
Smiles: CC(Cc1nc(C)ccc1O)C

STK835247
Synonyms: ethyl(8- imino- 2,3,5,6,7,8- hexahydrodicyclopenta[b,e]pyridin- 4(1H)- yl)acetate
Smiles: CCOC(=O)Cn1c2CCCc2c(=N)c2c1CCC2

STK530279
Synonyms: methyl5- bromo- 1- [2- (dimethylamino)ethyl]- 6- oxo- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cn(CCN(C)C)c(=O)c(c1)Br

STK530284
Synonyms: 1- (8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)- 3- (piperidin- 1- yl)propan- 2- ol
Smiles: OC(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)CN1CCCCC1

STK530285
Synonyms: 1- [1- (1,3- benzodioxol- 5- ylmethyl)- 5,5- dimethyl- 2- oxo- 3- (propan- 2- yl)imidazolidin- 4- yl]- 1- hydroxy- 3- propan- 2- ylurea
Smiles: CC(NC(=O)N(C1N(C(C)C)C(=O)N(C1(C)C)Cc1ccc2c(c1)OCO2)O)C

STK530286
Synonyms: 1- (2,3- dihydro- 1,4- benzodioxin- 2- yl)- N- (3,4- dihydro- 1H- isochromen- 1- ylmethyl)methanamine
Smiles: c1ccc2c(c1)C(CNCC1COc3c(O1)cccc3)OCC2

STK530289
Synonyms: pentachlorobenzenethiol
Smiles: Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl

STK530290
Synonyms: 9H- carbazol- 3- ylaceticacid
Smiles: OC(=O)Cc1ccc2c(c1)c1ccccc1[nH]2

STK530292
Synonyms: 2,2'- (quinazoline- 2,4- diyldiimino)dibenzoicacid
Smiles: OC(=O)c1ccccc1Nc1nc(Nc2ccccc2C(=O)O)c2c(n1)cccc2

STK530293
Synonyms: 3- (ethyl{3- oxo- 3- [2- (trifluoromethyl)- 10H- phenothiazin- 10- yl]propyl}amino)propanenitrile
Smiles: N#CCCN(CCC(=O)N1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)CC

STK835249
Synonyms: 2- {[5- (ethoxymethyl)- 2- methylpyrimidin- 4- yl]amino}- 1- (2- methyl- 1H- indol- 3- yl)ethanone
Smiles: CCOCc1cnc(nc1NCC(=O)c1c(C)[nH]c2c1cccc2)C

STK530294
Synonyms: (9aR)- 1- benzyl- 9,9,9a- trimethyl- 9,9a- dihydro- 1H- imidazo[1,2- a]indol- 2(3H)- one
Smiles: O=C1CN2[C@@](N1Cc1ccccc1)(C)C(c1c2cccc1)(C)C

STK835251
Synonyms: 4,6- dimethylfuro[2,3- d]pyrimidin- 2- ol
Smiles: Oc1nc(C)c2c(n1)oc(c2)C

STK530296
Synonyms: (3,4- dimethoxyphenyl)(8- hydroxy- 4- methoxynaphthalen- 1- yl)methanone
Smiles: COc1cc(ccc1OC)C(=O)c1ccc(c2c1c(O)ccc2)OC

STK530299
Synonyms: 2- (4- benzylpiperidin- 1- yl)- 1- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCC(CC1)Cc1ccccc1)O)c(n2C)C

STK530300
Synonyms: 8- tert- butyl- 1,4- dimethyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cn1c(=O)c2c3CCC(Cc3sc2n2c1nnc2C)C(C)(C)C

STK530301
Synonyms: ethyl5- methoxy- 3- ({[4- (3- methyl- 2,6- dioxo- 7- propyl- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)piperazin- 1- yl]acetyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)CC(=O)Nc1c([nH]c2c1cc(OC)cc2)C(=O)OCC

STK530302
Synonyms: 7- ethyl- 4,7- dimethyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCC1(C)OCc2c(C1)c1c(=O)n(C)c3n(c1s2)cnn3

STK835254
Synonyms: methyl(5Z)- 2,2- dimethyl- 5- {[(4- nitrophenyl)amino]methylidene}- 4,6- dioxocyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)/C(=C\Nc2ccc(cc2)[N+](=O)[O-])/C(=O)CC1(C)C

STK530303
Synonyms: 3- bromo- 5- (3,4- dihydroquinolin- 1(2H)- ylcarbonyl)- 2H- pyran- 2- one
Smiles: O=C(N1CCCc2c1cccc2)c1coc(=O)c(c1)Br

STK530308
Synonyms: 1- ethyl- 2- (4- methoxyphenyl)- 5,6- dihydrodipyrrolo[1,2- a:2',1'- c]pyrazine
Smiles: CCc1c(cn2c1c1cccn1CC2)c1ccc(cc1)OC

STK530310
Synonyms: N'- (1,3- benzoxazol- 2- yl)benzohydrazide
Smiles: O=C(c1ccccc1)NNc1nc2c(o1)cccc2

STK835258
Synonyms: 9- ethyl- 9H- carbazol- 3- amine
Smiles: CCn1c2ccc(cc2c2c1cccc2)N

STK835260
Synonyms: 2- {[3- (2- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccccc1n1c(SCC(=O)N)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK835262
Synonyms: (3E)- 3- {[(4- methylcyclohexyl)amino]methylidene}- 1,3- dihydro- 2H- indol- 2- one
Smiles: CC1CCC(CC1)N/C=C\1/C(=O)Nc2c1cccc2

STK530313
Synonyms: ethyloxo(3- oxo- 1,2,3,4- tetrahydrocyclopenta[b]indol- 2- yl)acetate
Smiles: CCOC(=O)C(=O)C1Cc2c(C1=O)[nH]c1c2cccc1

STK530316
Synonyms: methyl(5Z)- 2,2- dimethyl- 4,6- dioxo- 5- [1- (propan- 2- ylamino)ethylidene]cyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)/C(=C(\NC(C)C)/C)/C(=O)CC1(C)C

STK530318
Synonyms: 1- [(4- butoxyphenyl)carbonyl]proline
Smiles: CCCCOc1ccc(cc1)C(=O)N1CCCC1C(=O)O

STK530319
Synonyms: bis(2- methylpropyl)D- glutamate
Smiles: CC(COC(=O)CC[C@H](C(=O)OCC(C)C)N)C

STK530328
Synonyms: 7- ethyl- 1- (ethylsulfanyl)- 4,7- dimethyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC(OC3)(C)CC

STK835271
Synonyms: (2E)- N- [4- (propan- 2- yloxy)benzyl]- 2- (pyridin- 3- ylmethylidene)hydrazinecarbothioamide
Smiles: CC(Oc1ccc(cc1)CNC(=S)N/N=C/c1cccnc1)C

STK530330
Synonyms: 1- (1,2,8- trimethyl- 5,6- dihydrodipyrrolo[1,2- a:2',1'- c]pyrazin- 3- yl)ethanone
Smiles: CC(=O)c1c(C)c(c2n1CCn1c2ccc1C)C

STK530331
Synonyms: 1,6- bis(hydroxymethyl)- 3,4,5,8- tetramethylhexahydropyrimido[4,5- d]pyrimidine- 2,7(1H,3H)- dione
Smiles: OCN1C(=O)N(C)C2C(C1C)C(C)N(C(=O)N2CO)C

STK530336
Synonyms: 2,4- diacetyl- 5- hydroxy- 3,5- dimethylcyclohexanone
Smiles: CC(=O)C1C(=O)CC(C(C1C)C(=O)C)(C)O

STK530340
Synonyms: methyl{[7- (2- chlorobenzyl)- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

STK530344
Synonyms: N- [2- (4- fluorophenyl)ethyl]- 4,6- dimethyl- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: Fc1ccc(cc1)CCNC(=O)c1c(C)cc(=O)oc1C

STK530345
Synonyms: 2- [(difluoromethyl)sulfonyl]aniline
Smiles: Nc1ccccc1S(=O)(=O)C(F)F

STK530346
Synonyms: (2Z)- 2- [(phenylcarbonyl)amino]- 3- (pyridin- 4- yl)prop- 2- enoicacid
Smiles: OC(=O)/C(=C/c1ccncc1)/NC(=O)c1ccccc1

STK530347
Synonyms: 5- {[4- (4- methoxyphenyl)piperazin- 1- yl]carbonyl}- 4,6- dimethyl- 2H- pyran- 2- one
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)c1c(C)cc(=O)oc1C

STK530348
Synonyms: 6- hydroxy- 3,3- dimethyl- 8- (2- methylpropyl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(O)nc(c2c1CC(C)(C)OC2)CC(C)C

STK530349
Synonyms: 5- {[(4- chlorophenyl)sulfanyl]methyl}- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazole- 4- carboximidamide
Smiles: Clc1ccc(cc1)SCc1[nH]n(c(=O)c1C(=N)N)c1ccccc1

STK835278
Synonyms: methyl3,6,6- trimethyl- 4- oxo- 4,5,6,7- tetrahydro- 1,2- benzoxazole- 5- carboxylate
Smiles: COC(=O)C1C(=O)c2c(C)noc2CC1(C)C

STK530353
Synonyms: 1- (1,2- dimethyl- 1H- indol- 3- yl)- 2- (3,3- dimethylpiperidin- 1- yl)ethanone
Smiles: O=C(c1c(C)n(c2c1cccc2)C)CN1CCCC(C1)(C)C

STK530355
Synonyms: 3- [1- (aminomethyl)- 3,4- dihydro- 1H- isochromen- 1- yl]- N,N- diethylpropan- 1- amine
Smiles: CCN(CCCC1(CN)OCCc2c1cccc2)CC

STK835279
Synonyms: N- [3- (6,7- dimethoxy- 1- oxo- 1,3- dihydro- 2H- isoindol- 2- yl)phenyl]acetamide
Smiles: COc1c(OC)ccc2c1C(=O)N(C2)c1cccc(c1)NC(=O)C

STK530357
Synonyms: 2- (cyclododecyloxy)- 4,4,6- trimethyl- 1,3,2- dioxaborinane
Smiles: CC1OB(OC2CCCCCCCCCCC2)OC(C1)(C)C

STK530365
Synonyms: 1- (8- fluoro- 5H- pyrimido[5,4- b]indol- 4- yl)piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)F

STK835283
Synonyms: (2E)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- (naphthalen- 1- ylamino)prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc2c1cccc2)/c1scc(n1)c1ccc2c(c1)OCO2

STK530374
Synonyms: N- {4- [(5- ethyl- 1,3,4- thiadiazol- 2- yl)sulfamoyl]phenyl}- 6- methoxy- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc2cc(OC)ccc2oc1=O

STK530375
Synonyms: ethyl2- [(N,N- diethylglycyl)amino]- 5,5- dimethyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CN(CC)CC)sc2c1CC(C)(C)OC2

STK530379
Synonyms: 2- (3- bromophenyl)- 6- chloro- 4H- chromen- 4- one
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)c1cccc(c1)Br

STK835290
Synonyms: 3- (1H- indol- 3- yl)- 1- phenylpyrrolidine- 2,5- dione
Smiles: O=C1CC(C(=O)N1c1ccccc1)c1c[nH]c2c1cccc2

STK835291
Synonyms: 3- (1H- indol- 3- yl)- 1- (3- methylphenyl)pyrrolidine- 2,5- dione
Smiles: Cc1cccc(c1)N1C(=O)CC(C1=O)c1c[nH]c2c1cccc2

STK530388
Synonyms: ethyl(1S,2R,3R,8aS)- 6- acetyl- 3- carbamoyl- 1- cyano- 2- (2- methoxyphenyl)- 1,2,3,8a- tetrahydroindolizine- 1- carboxylate
Smiles: CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccccc1OC)C(=O)N)C(=O)C

STK530390
Synonyms: (2E)- 3- (3,4- dimethoxyphenyl)- 1- (2- hydroxy- 5- nitrophenyl)prop- 2- en- 1- one
Smiles: COc1cc(/C=C/C(=O)c2cc(ccc2O)[N+](=O)[O-])ccc1OC

STK530392
Synonyms: 4- (methylamino)- 4- oxo- 2- [4- (propan- 2- yloxy)phenyl]butanoicacid
Smiles: CNC(=O)CC(c1ccc(cc1)OC(C)C)C(=O)O

STK530393
Synonyms: 2- (furan- 2- ylmethyl)- 1H- naphtho[2,3- g]indazole- 3,6,11(2H)- trione
Smiles: O=c1n(Cc2ccco2)[nH]c2c1ccc1c2c(=O)c2c(c1=O)cccc2

STK530395
Synonyms: 3- (1,3- benzodioxol- 5- ylmethyl)- 4- (hydroxyamino)- 5,5- dimethyl- 1,3- thiazolidine- 2- thione
Smiles: ONC1N(Cc2ccc3c(c2)OCO3)C(=S)SC1(C)C

STK835297
Synonyms: 5- (4- methoxyphenyl)- 2- methyl- 2,3,5,6- tetrahydrobenzo[a]phenanthridin- 4(1H)- one
Smiles: COc1ccc(cc1)C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)C)cccc3

STK530397
Synonyms: 4,4',4'',4''',4'''',4'''''- [benzene- 1,2,3,4,5,6- hexaylhexakis(carbonylimino)]hexabenzenesulfonicacid
Smiles: O=C(c1c(C(=O)Nc2ccc(cc2)S(=O)(=O)O)c(C(=O)Nc2ccc(cc2)S(=O)(=O)O)c(c(c1C(=O)Nc1ccc(cc1)S(=O)(=O)O)C(=O)Nc1ccc(cc1)S(=O)(=O)O)C(=O)Nc1ccc(cc1)S(=O)(=O)O)Nc1ccc(cc1)S(=O)(=O)O

STK530398
Synonyms: 1,4a- diphenyl- 4,4a- dihydropyrido[1,2- a]benzimidazol- 8(3H)- one
Smiles: O=C1C=CC2=NC3(N(C2=C1)C(=CCC3)c1ccccc1)c1ccccc1

STK530400
Synonyms: 6- methyl- 4- phenyl- 1- (propan- 2- ylsulfanyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(Sc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)C(C)CCC3)C

STK530401
Synonyms: 5- [(2,6- dimethylmorpholin- 4- yl)carbonyl]- 2H- pyran- 2- one
Smiles: CC1OC(C)CN(C1)C(=O)c1ccc(=O)oc1

STK835299
Synonyms: 2- amino- 5- (4- methoxybenzyl)pyrimidine- 4,6- diol
Smiles: COc1ccc(cc1)Cc1c(O)nc(nc1O)N

STK530409
Synonyms: 2- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- N- (2- methyl- 1H- indol- 3- yl)acetamide
Smiles: O=C(Nc1c(C)[nH]c2c1cccc2)CN1CCN(CC1)Cc1ccc2c(c1)OCO2

STK530410
Synonyms: 1- [3- (4- methylpiperazin- 1- yl)prop- 1- yn- 1- yl]cyclohexanol
Smiles: CN1CCN(CC1)CC#CC1(O)CCCCC1

STK530411
Synonyms: 4- [4- (4- fluorophenyl)piperazin- 1- yl]- 8- methoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccc(cc1)F

STK530412
Synonyms: methyl5- bromo- 1- (furan- 2- ylmethyl)- 6- oxo- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cn(Cc2ccco2)c(=O)c(c1)Br

STK835305
Synonyms: (2E)- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}- 3- [(2- nitrophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)CC(C)C

STK530421
Synonyms: (2E,4E)- 5- (4- iodophenyl)- 3- methylpenta- 2,4- dienoicacid
Smiles: C/C(=C\C(=O)O)/C=C/c1ccc(cc1)I

STK835307
Synonyms: 2- [(1S,4R)- bicyclo[2.2.1]hept- 2- yl]benzene- 1,4- diol
Smiles: Oc1ccc(c(c1)C1C[C@@H]2C[C@H]1CC2)O

STK530423
Synonyms: 2- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 1- (8- fluoro- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: Fc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCN(CC1)Cc1ccc2c(c1)OCO2

STK530424
Synonyms: 2,2'- (9- methyl- 9H- carbazole- 3,6- diyl)diaceticacid
Smiles: OC(=O)Cc1ccc2c(c1)c1cc(ccc1n2C)CC(=O)O

STK530427
Synonyms: 8- (1,3- benzodioxol- 5- yloxy)- 1- benzyl- 3,7- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(Oc2ccc3c(c2)OCO3)nc2c1c(=O)n(c(=O)n2C)Cc1ccccc1

STK835308
Synonyms: 5- [2- (4- methylphenyl)- 2- oxoethyl]- 2- thioxoimidazolidin- 4- one
Smiles: O=C(c1ccc(cc1)C)CC1NC(=S)NC1=O

STK835309
Synonyms: 1- (2,3- dihydro- 1,4- benzodioxin- 2- yl)ethanone
Smiles: CC(=O)C1COc2c(O1)cccc2

STK530429
Synonyms: 1- [3- (3,4- dihydroquinolin- 1(2H)- yl)- 2- hydroxypropyl]guanidine
Smiles: OC(CN1CCCc2c1cccc2)CNC(=N)N

STK530430
Synonyms: 1,9- bis(4- methoxyphenyl)- 2,5,8- trimethyl- 2,3,4,5,6,7,8,9- octahydro- 1H- pyrrolo[3,2- c:4,5- c']dipyridine
Smiles: COc1ccc(cc1)C1N(C)CCc2c1c1C(N(C)CCc1n2C)c1ccc(cc1)OC

STK530431
Synonyms: [1- (2- methylphenyl)- 3- oxo- 3- (thiophen- 2- yl)propyl]propanedinitrile
Smiles: N#CC(C(c1ccccc1C)CC(=O)c1cccs1)C#N

STK835312
Synonyms: 4- (bicyclo[2.2.1]hept- 2- yl)cyclohexane- 1,2- diol
Smiles: OC1CCC(CC1O)C1CC2CC1CC2

STK835320
Synonyms: 2- (3- methyl- 1H- indol- 1- yl)- 1- phenylethanone
Smiles: O=C(c1ccccc1)Cn1cc(c2c1cccc2)C

STK530437
Synonyms: 5,5'- (quinolin- 2- ylmethanediyl)bis(1,3- dimethyl- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione)
Smiles: O=C1N(C)C(=S)N(C(=O)C1C(C1C(=O)N(C)C(=S)N(C1=O)C)c1ccc2c(n1)cccc2)C

STK835322
Synonyms: 5- propanoylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(=O)C1C(=O)NC(=O)NC1=O

STK530443
Synonyms: 5- benzyl- 2,6- dibromopyridin- 3- ol
Smiles: Brc1nc(Br)c(cc1Cc1ccccc1)O

STK530445
Synonyms: dimethyl4- hydroxy- 5- [(3- phenylpropyl)amino]tetrahydropyridazine- 1,2- dicarboxylate
Smiles: COC(=O)N1CC(NCCCc2ccccc2)C(CN1C(=O)OC)O

STK530448
Synonyms: (6Z)- 5- diazo- 1,3- dimethyl- 6- [(2E)- (thiophen- 2- ylmethylidene)hydrazinylidene]dihydropyrimidine- 2,4(1H,3H)- dione
Smiles: [N-]=[N+]=C1/C(=N/N=C/c2cccs2)/N(C)C(=O)N(C1=O)C

STK530449
Synonyms: 3,4,4- trimethyl- 1- (pyridin- 2- yl)- 3b,4,4a,5- tetrahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazole
Smiles: Cc1nn(c2c1C1C(C2)C1(C)C)c1ccccn1

STK530450
Synonyms: (5E)- 1- (3- fluorophenyl)- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Fc1cccc(c1)N1C(=O)NC(=O)/C(=C\C=C\c2ccco2)/C1=O

STK835326
Synonyms: 1- ethyl- 2,8- dimethyl- 5,6- dihydrodipyrrolo[1,2- a:2',1'- c]pyrazine
Smiles: CCc1c(C)cn2c1c1ccc(n1CC2)C

STK530451
Synonyms: 3- (chloroacetyl)- 8- methyl- 1,2,3,3a,4,5- hexahydro- 6H- 3,10b- diazaacephenanthrylen- 6- one
Smiles: ClCC(=O)N1CCn2c3C1CCc3c(=O)c1c2ccc(c1)C

STK530453
Synonyms: (1E)- 1- cyclohexyl- N- hydroxyethanimine
Smiles: O/N=C(/C1CCCCC1)\C

STK530456
Synonyms: 1- (4- chlorophenyl)- N- {2- [2,2- dimethyl- 4- (4- methylphenyl)tetrahydro- 2H- pyran- 4- yl]ethyl}ethanamine
Smiles: Cc1ccc(cc1)C1(CCNC(c2ccc(cc2)Cl)C)CCOC(C1)(C)C

STK530458
Synonyms: N- (1- amino- 3- methyl- 1- oxobut- 2- en- 2- yl)benzamide
Smiles: CC(=C(C(=O)N)NC(=O)c1ccccc1)C

STK530459
Synonyms: (2E)- 3- (5- chloro- 4H- 1,3- benzodioxin- 7- yl)- 1- (4- hydroxyphenyl)prop- 2- en- 1- one
Smiles: Oc1ccc(cc1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCOC2

STK530460
Synonyms: (10aR)- 8,10,10,10a- tetramethyl- 3,4,10,10a- tetrahydropyrimido[1,2- a]indol- 2(1H)- one
Smiles: O=C1CCN2[C@](N1)(C)C(C)(C)c1c2ccc(c1)C

STK530462
Synonyms: (E)- N- hydroxy- 1- (pentafluorophenyl)methanimine
Smiles: O/N=C/c1c(F)c(F)c(c(c1F)F)F

STK835331
Synonyms: 3- acetyl- 6- hexyl- 7- hydroxy- 2H- chromen- 2- one
Smiles: CCCCCCc1cc2cc(C(=O)C)c(=O)oc2cc1O

STK530470
Synonyms: 3,3'- [octane- 1,8- diylbis(oxybenzene- 4,1- diyl)]dipyrrolidine- 2,5- dione
Smiles: O=C1NC(=O)CC1c1ccc(cc1)OCCCCCCCCOc1ccc(cc1)C1CC(=O)NC1=O

STK530471
Synonyms: 2,2,5,5- tetramethylpyrrolidine- 3- carboxamide
Smiles: NC(=O)C1CC(NC1(C)C)(C)C

STK530475
Synonyms: 6- [(1E)- 3- cyclopropyl- 3- oxoprop- 1- en- 1- yl]- 2,3- dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=C/C(=O)C1CC1

STK530481
Synonyms: dimethyl1,1'- ethane- 1,2- diylbis(5- bromo- 6- oxo- 1,6- dihydropyridine- 3- carboxylate)
Smiles: COC(=O)c1cn(CCn2cc(cc(c2=O)Br)C(=O)OC)c(=O)c(c1)Br

STK530486
Synonyms: N'- (5- butyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl)- N,N- dimethylpropane- 1,3- diamine
Smiles: CCCCc1nc2sc3c(c2c2c1CCCC2)ncnc3NCCCN(C)C

STK530492
Synonyms: N~2~,N~6~- dihydroxypyridine- 2,6- dicarboximidamide
Smiles: ONC(=N)c1cccc(n1)C(=N)NO

STK530501
Synonyms: (2,4- dimethylcyclohex- 3- ene- 1,1- diyl)dimethanol
Smiles: OCC1(CO)CCC(=CC1C)C

STK530505
Synonyms: 4- [4- (2- methoxyphenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccccc1N1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1

STK530506
Synonyms: N,N- diethyl- N'- (8- methoxy- 5H- pyrimido[5,4- b]indol- 4- yl)ethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1[nH]c1c2cc(cc1)OC)CC

STK835343
Synonyms: 2- [(6- oxo- 6H- anthra[1,9- cd][1,2]oxazol- 5- yl)amino]ethylacetate
Smiles: CC(=O)OCCNc1ccc2c3c1C(=O)c1ccccc1c3on2

STK530509
Synonyms: (2E)- 2- cyano- 3- (cyclohexylamino)- N- [2- (morpholin- 4- yl)ethyl]but- 2- enamide
Smiles: N#C/C(=C(\NC1CCCCC1)/C)/C(=O)NCCN1CCOCC1

STK530518
Synonyms: 4- ({(E)- 2- cyano- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)N)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK530519
Synonyms: N- {4- [(5- {3- [2- (diethylamino)ethyl]- 4- oxo- 1,2,3,4- tetrahydroquinazolin- 2- yl}- 2- methoxybenzyl)oxy]phenyl}acetamide
Smiles: CCN(CCN1C(Nc2c(C1=O)cccc2)c1ccc(c(c1)COc1ccc(cc1)NC(=O)C)OC)CC

STK530522
Synonyms: N~2~,N~2~- diethyl- N- (2,3,4,5- tetrahydro- 1- benzoxepin- 7- yl)norleucinamide
Smiles: CCCCC(C(=O)Nc1ccc2c(c1)CCCCO2)N(CC)CC

STK835346
Synonyms: 4- acetyl- 2- methylisoquinolin- 1(2H)- one
Smiles: CC(=O)c1cn(C)c(=O)c2c1cccc2

STK530523
Synonyms: 6- {[(2E)- 2- (acetylamino)- 3- (1,3- benzodioxol- 5- yl)prop- 2- enoyl]amino}hexanoicacid
Smiles: CC(=O)N/C(=C/c1ccc2c(c1)OCO2)/C(=O)NCCCCCC(=O)O

STK530525
Synonyms: 5H- chromeno[2,3- b]pyridin- 5- one
Smiles: O=c1c2ccccc2oc2c1cccn2

STK835347
Synonyms: 3- (9H- fluoren- 9- ylidene)- 2- benzofuran- 1(3H)- one
Smiles: O=C1O/C(=C/2\c3ccccc3c3c2cccc3)/c2c1cccc2

STK530528
Synonyms: 2- [4- methyl- 6- (pyrrolidin- 1- yl)pyrimidin- 2- yl]phenol
Smiles: Cc1cc(nc(n1)c1ccccc1O)N1CCCC1

STK530530
Synonyms: 1- (benzylamino)- 3- (8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)propan- 2- ol
Smiles: OC(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)CNCc1ccccc1

STK835348
Synonyms: N- [(Z)- amino(5- {[(4- chlorophenyl)sulfanyl]methyl}- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)methylidene]benzamide
Smiles: Clc1ccc(cc1)SCc1[nH]n(c(=O)c1/C(=N/C(=O)c1ccccc1)/N)c1ccccc1

STK835349
Synonyms: methyl(5Z)- 5- [(ethoxyamino)methylidene]- 2,2- dimethyl- 4,6- dioxocyclohexanecarboxylate
Smiles: CCON/C=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C

STK530541
Synonyms: 2,9- dimethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2cn1)C

STK530544
Synonyms: 5- [(6- hydroxy- 1,3- dimethyl- 4- oxo- 2- thioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)(4- methoxy- 3- {[2- (pyridin- 3- yl)piperidinium- 1- yl]methyl}phenyl)methyl]- 1,3- dimethyl- 6- oxo- 2- thioxo- 1,2,3,6- tetrahydropyrimidi
Smiles: COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)n(C)c(=S)n(c1=O)C)c1c([O-])n(C)c(=S)n(c1=O)C

STK530546
Synonyms: 7- ethyl- 7- methyl- 2,3,6,9- tetrahydro- 5H,7H- pyrano[4',3':4,5]thieno[2,3- d][1,3]thiazolo[3,2- a]pyrimidin- 5- one
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc2n(c1=O)CCS2

STK530551
Synonyms: 2- [4- (2- methylpropoxy)phenyl]butanedioicacid
Smiles: CC(COc1ccc(cc1)C(C(=O)O)CC(=O)O)C

STK530558
Synonyms: N- (2,2- dimethoxyethyl)- 6- oxo- 6H- anthra[1,9- cd][1,2]oxazole- 3- carboxamide
Smiles: COC(CNC(=O)c1ccc2c3c1noc3c1c(C2=O)cccc1)OC

STK530560
Synonyms: 5- [(2- oxopyrrolidin- 1- yl)methyl]- 5- (prop- 2- en- 1- yl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: C=CCC1(CN2CCCC2=O)C(=O)NC(=O)NC1=O

STK530562
Synonyms: 6- amino- 3- methyl- 4- (5- nitrofuran- 2- yl)- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(o1)[N+](=O)[O-])c(C)n[nH]2

STK835357
Synonyms: (2E,4E)- 1- (dibenzo[b,d]furan- 2- yl)- 5- phenylpenta- 2,4- dien- 1- one
Smiles: O=C(c1ccc2c(c1)c1ccccc1o2)/C=C/C=C/c1ccccc1

STK530565
Synonyms: 2- ({2- [2- hydroxy- 2- (2- methyl- 1H- indol- 3- yl)ethyl]- 1,2,3,4- tetrahydroisoquinolin- 1- yl}methyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: OC(c1c(C)[nH]c2c1cccc2)CN1CCc2c(C1CN1C(=O)c3c(C1=O)cccc3)cccc2

STK530568
Synonyms: 4- ethyl- 1- (propadienylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: C=C=CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2CC)CCCCC3

STK835361
Synonyms: (dimethylamino)(1- methyl- 1H- indol- 3- yl)acetonitrile
Smiles: N#CC(c1cn(c2c1cccc2)C)N(C)C

STK530572
Synonyms: 3- acetyl- 2,7- dimethyl- 5H- chromeno[2,3- b]pyridin- 5- one
Smiles: Cc1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)C)C

STK530576
Synonyms: (2Z)- 3- (9- methyl- 9H- carbazol- 3- yl)- 2- [(phenylcarbonyl)amino]prop- 2- enoicacid
Smiles: OC(=O)/C(=C/c1ccc2c(c1)c1ccccc1n2C)/NC(=O)c1ccccc1

STK530577
Synonyms: N- acetyl- N- {[3- chloro- 4- (propan- 2- yloxy)benzyl]oxy}acetamide
Smiles: CC(Oc1ccc(cc1Cl)CON(C(=O)C)C(=O)C)C

STK835362
Synonyms: 11- methyl- 1,2,3,5,6,7- hexahydro[1,4]diazepino[3,2,1- jk]carbazole
Smiles: Cc1ccc2c(c1)c1CCCC3=NCCCn2c13

STK530578
Synonyms: 6- (2- methyl- 1H- indol- 3- yl)- 1,3,5- triazinane- 2,4- dione
Smiles: O=C1NC(=O)NC(N1)c1c(C)[nH]c2c1cccc2

STK530580
Synonyms: 2- {2- [(3aS,6aS)- 5- benzyl- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazol- 3- yl]- 2- oxoethyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1N(Cc2ccccc2)C(=O)[C@@H]2[C@H]1C(=NN2)C(=O)CN1C(=O)c2c(C1=O)cccc2

STK530582
Synonyms: N- (furan- 2- ylmethyl)- 2- methyl- 3- (naphthalen- 1- yloxy)propan- 1- amine
Smiles: CC(COc1cccc2c1cccc2)CNCc1ccco1

STK530584
Synonyms: 1- (furan- 2- yl)- 3- (2- hydroxy- 5- methylphenyl)propane- 1,3- dione
Smiles: Cc1ccc(c(c1)C(=O)CC(=O)c1ccco1)O

STK530586
Synonyms: 8- (furan- 2- yl)- 3,3- dimethyl- 6- (4- methylpiperidin- 1- yl)- 3,4- dihydro- 1H- isochromene- 5- carbonitrile
Smiles: N#Cc1c(cc(c2c1CC(C)(C)OC2)c1ccco1)N1CCC(CC1)C

STK530590
Synonyms: 2- amino- 6,7- diphenylpteridin- 4- ol
Smiles: Nc1nc2nc(c3ccccc3)c(nc2c(n1)O)c1ccccc1

STK530592
Synonyms: 5- (3- methylbutyl)- 5- [(2- oxopyrrolidin- 1- yl)methyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CC(CCC1(CN2CCCC2=O)C(=O)NC(=O)NC1=O)C

STK530593
Synonyms: 1- (3,4- dichlorophenyl)- 2- {2- imino- 3- [2- (piperidin- 1- yl)ethyl]- 2,3- dihydro- 1H- benzimidazol- 1- yl}ethanone
Smiles: O=C(c1ccc(c(c1)Cl)Cl)Cn1c(=N)n(c2c1cccc2)CCN1CCCCC1

STK530594
Synonyms: 10,10- dimethyl- 10a- {(E)- 2- [4- (morpholin- 4- yl)phenyl]ethenyl}- 3,4,10,10a- tetrahydropyrimido[1,2- a]indol- 2(1H)- one
Smiles: O=C1CCN2C(N1)(/C=C/c1ccc(cc1)N1CCOCC1)C(C)(C)c1c2cccc1

STK835366
Synonyms: 3- (1H- indol- 3- yl)- 1- (2- methylphenyl)pyrrolidine- 2,5- dione
Smiles: O=C1CC(C(=O)N1c1ccccc1C)c1c[nH]c2c1cccc2

STK835367
Synonyms: N- (4- methylquinolin- 8- yl)undec- 10- ynamide
Smiles: C#CCCCCCCCCC(=O)Nc1cccc2c1nccc2C

STK835369
Synonyms: N- formyl- 5- phenyl- 5H- 1- thia- 3,5,8- triazaacenaphthylene- 2- carboxamide
Smiles: O=CNC(=O)c1sc2c3c1ncn(c3ccn2)c1ccccc1

STK835370
Synonyms: 3- (4- butoxybenzyl)pyrrolidine- 2,5- dione
Smiles: CCCCOc1ccc(cc1)CC1CC(=O)NC1=O

STK530607
Synonyms: 2- chloroquinolin- 7- ol
Smiles: Oc1ccc2c(c1)nc(cc2)Cl

STK530608
Synonyms: 2- [4- (2- methoxyphenyl)- 2,2- dimethyltetrahydro- 2H- pyran- 4- yl]acetamide
Smiles: COc1ccccc1C1(CCOC(C1)(C)C)CC(=O)N

STK530609
Synonyms: 8- bromo- 2- methyl- 3- propylquinolin- 4- ol
Smiles: CCCc1c(C)nc2c(c1O)cccc2Br

STK530611
Synonyms: (3Z)- 3- (quinolin- 2- ylmethylidene)- 2- benzofuran- 1(3H)- one
Smiles: O=C1O/C(=C\c2ccc3c(n2)cccc3)/c2c1cccc2

STK835374
Synonyms: prop- 2- en- 1- yl(2Z)- 3- (4- hydroxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoate
Smiles: C=CCOC(=O)/C(=C/c1ccc(cc1)O)/NC(=O)c1ccccc1

STK835376
Synonyms: 2- methylpropyl6- bromo- 2- oxo- 1,3- benzoxazole- 3(2H)- carboxylate
Smiles: CC(COC(=O)n1c(=O)oc2c1ccc(c2)Br)C

STK530615
Synonyms: 2- (hydroxymethyl)- 2,3- dihydro- 1H- inden- 1- ol
Smiles: OCC1Cc2c(C1O)cccc2

STK530618
Synonyms: N- {(2Z)- 3- (4- hydroxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}glycine
Smiles: OC(=O)CNC(=O)/C(=C/c1ccc(cc1)O)/NC(=O)c1ccccc1

STK530623
Synonyms: ethyl{2- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 1,1,1,3,3,3- hexafluoropropan- 2- yl}carbamate
Smiles: CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK835382
Synonyms: 4- ({(E)- 2- cyano- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)N)/c1scc(n1)c1ccc(c(c1)OC)OC

STK530627
Synonyms: 2- heptyl- 5- methylbenzene- 1,3- dicarboxylicacid
Smiles: CCCCCCCc1c(cc(cc1C(=O)O)C)C(=O)O

STK530628
Synonyms: 5- (morpholin- 4- ylcarbonyl)- 2H- pyran- 2- one
Smiles: O=c1ccc(co1)C(=O)N1CCOCC1

STK530630
Synonyms: N'- {(E)- [4- (dimethylamino)phenyl]methylidene}- 2- {[5- (pyridin- 4- yl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}acetohydrazide
Smiles: CN(c1ccc(cc1)/C=N/NC(=O)CSc1nnc(o1)c1ccncc1)C

STK835385
Synonyms: 3- (thiophen- 2- ylcarbonyl)- 1,3- benzoxazol- 2(3H)- one
Smiles: O=c1oc2c(n1C(=O)c1cccs1)cccc2

STK835386
Synonyms: 5- (ethylamino)- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: CCNc1ccc2c3c1C(=O)c1ccccc1c3on2

STK530634
Synonyms: 6- [2- (4- chlorophenyl)- 2- oxoethoxy]- 8- (furan- 3- yl)- 3,3- dimethyl- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(OCC(=O)c2ccc(cc2)Cl)nc(c2c1CC(C)(C)OC2)c1cocc1

STK835387
Synonyms: 5- chloro- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: Clc1ccc2c3c1C(=O)c1ccccc1c3on2

STK835389
Synonyms: 4- ({(E)- 2- cyano- 2- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)N)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK530640
Synonyms: 2- (3- bromophenyl)cyclohexa- 2,5- diene- 1,4- dione
Smiles: O=C1C=CC(=O)C(=C1)c1cccc(c1)Br

STK835390
Synonyms: 7- chloro- N- (2- iodophenyl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: [O-][N+](=O)c1c(Nc2ccccc2I)cc(c2c1non2)Cl

STK530641
Synonyms: (2E)- 3- (1,3- benzodioxol- 5- yl)- 2- [(phenylcarbonyl)amino]prop- 2- enoicacid
Smiles: OC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1

STK530642
Synonyms: N- (2- methyl- 1H- indol- 3- yl)- 2- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}acetamide
Smiles: O=C(Nc1c(C)[nH]c2c1cccc2)CN1CCN(CC1)c1cccc(c1)C(F)(F)F

STK530643
Synonyms: 2- imino- 5- (2- oxo- 2- phenylethyl)- 1,3- thiazolidin- 4- one
Smiles: O=C(c1ccccc1)CC1SC(=N)NC1=O

STK530644
Synonyms: ethyl4- (8- fluoro- 5H- pyrimido[5,4- b]indol- 4- yl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)F

STK835393
Synonyms: 4- (2,3- dihydro- 1H- benzo[f]cyclopenta[c]quinolin- 4- yl)phenol
Smiles: Oc1ccc(cc1)c1nc2ccc3c(c2c2c1CCC2)cccc3

STK530648
Synonyms: 8- tert- butyl- 4- methyl- 1- (methylsulfanyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CSc1nnc2n1c1sc3c(c1c(=O)n2C)CCC(C3)C(C)(C)C

STK530653
Synonyms: 3- benzyl- 2,3,3a,4,5,6- hexahydro- 1H- pyrazino[3,2,1- jk]carbazole
Smiles: c1ccc(cc1)CN1CCn2c3C1CCCc3c1c2cccc1

STK835396
Synonyms: 2- (3- oxo- 2,3- dihydro- 1H- isoindol- 1- yl)acetamide
Smiles: NC(=O)CC1NC(=O)c2c1cccc2

STK530655
Synonyms: 8- fluoro- 4- [4- (2- fluorophenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccccc1F

STK530661
Synonyms: N- [4- ({5- [bis(4- hydroxy- 2- oxo- 2H- chromen- 3- yl)methyl]- 2- methoxybenzyl}oxy)phenyl]acetamide
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2

STK530665
Synonyms: ethyl4- (5H- pyrimido[5,4- b]indol- 4- yl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1

STK530668
Synonyms: 2- amino- 1- benzyl- N- (prop- 2- en- 1- yl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: C=CCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccccc1

STK835399
Synonyms: N- (6- chloro- 2,3,4,9- tetrahydro- 1H- carbazol- 1- yl)formamide
Smiles: O=CNC1CCCc2c1[nH]c1c2cc(cc1)Cl

STK530670
Synonyms: N- {(2Z)- 3- (9- methyl- 9H- carbazol- 3- yl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}glycine
Smiles: OC(=O)CNC(=O)/C(=C/c1ccc2c(c1)c1ccccc1n2C)/NC(=O)c1ccccc1

STK530675
Synonyms: 4,6- dimethyl- 2- oxo- N'- (2,4,6- trichlorophenyl)- 2H- pyran- 5- carbohydrazide
Smiles: Clc1cc(Cl)c(c(c1)Cl)NNC(=O)c1c(C)cc(=O)oc1C

STK530677
Synonyms: 5- [(methoxycarbonyl)oxy]pyridine- 3- carboxylicacid
Smiles: COC(=O)Oc1cncc(c1)C(=O)O

STK530678
Synonyms: 2- [(E)- 2- (pyridin- 2- yl)ethenyl]phenol
Smiles: Oc1ccccc1/C=C/c1ccccn1

STK835402
Synonyms: (5Z)- 3- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C

STK530680
Synonyms: 3- (propan- 2- ylamino)- 1- [4- (propan- 2- yloxy)phenyl]propan- 1- one
Smiles: CC(NCCC(=O)c1ccc(cc1)OC(C)C)C

STK530685
Synonyms: 5- cyclohexyl- 3,5- dimethyl- 2- (methylsulfanyl)- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: CSc1nc2c3ccccc3CC(c2c(=O)n1C)(C)C1CCCCC1

STK530692
Synonyms: (2E)- 4- (4- hydroxyphenyl)- 4- oxobut- 2- enoicacid
Smiles: OC(=O)/C=C/C(=O)c1ccc(cc1)O

STK530694
Synonyms: (9aS)- 9a- [(E)- 2- (4- chlorophenyl)ethenyl]- 9,9- dimethyl- 9,9a- dihydro- 1H- imidazo[1,2- a]indol- 2(3H)- one
Smiles: Clc1ccc(cc1)/C=C/[C@]12NC(=O)CN1c1c(C2(C)C)cccc1

STK530695
Synonyms: 2,6- dihydroxy- 3- (4- methoxybenzyl)pyrimidin- 4(3H)- one
Smiles: COc1ccc(cc1)Cn1c(=O)cc(nc1O)O

STK530697
Synonyms: N- {[4- (acetylamino)phenyl]sulfonyl}- 2- (3- chloro- 5- methylphenoxy)- N- methylacetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N(C(=O)COc1cc(C)cc(c1)Cl)C

STK835407
Synonyms: ethyl4- cyano- 7,7- dimethyl- 2- oxo- 1,8- dioxaspiro[4.5]decane- 3- carboxylate
Smiles: CCOC(=O)C1C(=O)OC2(C1C#N)CCOC(C2)(C)C

STK530704
Synonyms: 1,1'- methanediylbis{3- [3- (1H- benzimidazol- 1- yl)- 2- hydroxypropyl]- 5,5- dimethylimidazolidine- 2,4- dione}
Smiles: OC(Cn1cnc2c1cccc2)CN1C(=O)N(C(C1=O)(C)C)CN1C(=O)N(C(=O)C1(C)C)CC(Cn1cnc2c1cccc2)O

STK530705
Synonyms: 1- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)- 2- (4- methylpiperidin- 1- yl)ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCC(CC1)C)O)c(n2C)C

STK530710
Synonyms: 2,4- dichloro- 6- [1- (morpholin- 4- yl)- 3- phenylprop- 2- yn- 1- yl]phenol
Smiles: Clc1cc(Cl)c(c(c1)C(N1CCOCC1)C#Cc1ccccc1)O

STK530712
Synonyms: 5- phenyl- 8- (pyrrolidin- 1- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: c1ccc(cc1)c1nc2sc3c(c2c2c1CCCC2)ncnc3N1CCCC1

STK530713
Synonyms: 8- {4- [2- (1,2- dimethyl- 1H- indol- 3- yl)- 2- oxoethyl]piperazin- 1- yl}- 7- ethyl- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)CC(=O)c1c2ccccc2n(c1C)C

STK835411
Synonyms: 6,7- dimethoxy- 2- (pyridin- 2- yl)- 2,3- dihydro- 1H- isoindol- 1- one
Smiles: COc1c(OC)ccc2c1C(=O)N(C2)c1ccccn1

STK530714
Synonyms: 5- amino- 4- formyl- 2'- oxo- 1,1'- bi(cyclopentan)- 4- ene- 1,2,2- tricarbonitrile
Smiles: O=CC1=C(N)C(C(C1)(C#N)C#N)(C#N)C1CCCC1=O

STK530716
Synonyms: diprop- 2- en- 1- ylpiperazine- 1,4- dicarboxylate
Smiles: C=CCOC(=O)N1CCN(CC1)C(=O)OCC=C

STK530719
Synonyms: 2- ({2- [2- hydroxy- 2- (5- methoxy- 1H- indol- 3- yl)ethyl]- 1,2,3,4- tetrahydroisoquinolin- 1- yl}methyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1ccc2c(c1)c(c[nH]2)C(CN1CCc2c(C1CN1C(=O)c3c(C1=O)cccc3)cccc2)O

STK530720
Synonyms: N- [2- (4- fluorophenyl)ethyl]- 6- oxo- 6H- anthra[1,9- cd][1,2]oxazole- 3- carboxamide
Smiles: Fc1ccc(cc1)CCNC(=O)c1ccc2c3c1noc3c1c(C2=O)cccc1

STK530721
Synonyms: 8,8- dimethyl- 2- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 1- phenyl- 1,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CC(=C)CSc1nc(=O)c2c(n1c1ccccc1)nc1c(c2)COC(C1)(C)C

STK835416
Synonyms: 2- {[(3E)- 7- cyclohexyl- 1,4- dihydrocyclopenta[b]indol- 3(2H)- ylidene]amino}ethanol
Smiles: OCC/N=C/1\CCc2c1[nH]c1c2cc(cc1)C1CCCCC1

STK530722
Synonyms: diethyl2- ethyl- 2- (phenylcarbonyl)- 3- (propan- 2- yl)cyclopropane- 1,1- dicarboxylate
Smiles: CCC1(C(C1(C(=O)OCC)C(=O)OCC)C(C)C)C(=O)c1ccccc1

STK835417
Synonyms: (2Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- (3,5- dibromo- 4- hydroxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1cc(Br)c(c(c1)Br)O)/c1scc(n1)c1ccc2c(c1)OCO2

STK530725
Synonyms: 1- (3- hydroxy- 4- methoxyphenyl)propan- 1- one
Smiles: CCC(=O)c1ccc(c(c1)O)OC

STK835418
Synonyms: 5- (4- hydroxy- 3- methoxybenzyl)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cc(ccc1O)CC1C(=O)N(C)C(=O)N(C1=O)C

STK530731
Synonyms: 8- (furan- 2- yl)- 3,3- dimethyl- 6- (pentylamino)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCCNc1nc(c2ccco2)c2c(c1C#N)CC(OC2)(C)C

STK530734
Synonyms: 2- {2- [(3aS,6aS)- 5- (2,4- dimethylphenyl)- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazol- 3- yl]- 2- oxoethyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@H]2[C@@H](C1=O)NN=C2C(=O)CN1C(=O)c2c(C1=O)cccc2

STK835422
Synonyms: (3Z)- N'- [(E)- (3,4- dihydroxyphenyl)methylidene]- 3- (3,3- dimethyl- 3,4- dihydroisoquinolin- 1(2H)- ylidene)- 2- oxopropanehydrazide
Smiles: O=C(C(=O)N/N=C/c1ccc(c(c1)O)O)/C=C/1\NC(C)(C)Cc2c1cccc2

STK530735
Synonyms: (2E)- 3- (3,4- dimethoxyphenyl)- 1- (2- hydroxy- 5- methylphenyl)prop- 2- en- 1- one
Smiles: COc1cc(/C=C/C(=O)c2cc(C)ccc2O)ccc1OC

STK835426
Synonyms: 4,4'- ethane- 1,2- diyldiphthalazin- 1(2H)- one
Smiles: O=c1[nH]nc(c2c1cccc2)CCc1n[nH]c(=O)c2c1cccc2

STK530741
Synonyms: 3- [2- (dimethylamino)ethyl]- 8- fluoro- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CN(CCn1cnc2c(c1=O)[nH]c1c2cc(cc1)F)C

STK530742
Synonyms: 1- (2- iminopyridin- 1(2H)- yl)propan- 2- ol
Smiles: CC(Cn1ccccc1=N)O

STK530743
Synonyms: 6- (1- methyl- 1H- indol- 3- yl)- 1,3,5- triazinane- 2,4- dione
Smiles: O=C1NC(=O)NC(N1)c1cn(c2c1cccc2)C

STK530746
Synonyms: 4- [hydroxy(methyl)amino]benzaldehyde
Smiles: O=Cc1ccc(cc1)N(O)C

STK530753
Synonyms: methyl(5E)- 2,2- dimethyl- 4,6- dioxo- 5- {[(2- phenylethyl)amino]methylidene}cyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)/C(=C/NCCc2ccccc2)/C(=O)CC1(C)C

STK530756
Synonyms: (4- hydroxyphenyl)(2,3,4- trihydroxyphenyl)methanone
Smiles: Oc1ccc(cc1)C(=O)c1ccc(c(c1O)O)O

STK801743
Synonyms: N- benzyl- 7- chloro- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)cc(c2c1non2)Cl

STK835433
Synonyms: (2E)- 3- {[2- chloro- 5- (trifluoromethyl)phenyl]amino}- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(ccc1Cl)C(F)(F)F)/c1scc(n1)c1ccc(c(c1)OC)OC

STK835434
Synonyms: N- (4- ethoxyphenyl)- 7- nitro- 2,1,3- benzoxadiazol- 4- amine
Smiles: CCOc1ccc(cc1)Nc1ccc(c2c1non2)[N+](=O)[O-]

STK530765
Synonyms: 8- methyl- 2,3,3a,4,5,6- hexahydro- 1H- pyrimido[5,6,1- jk]carbazole
Smiles: Cc1ccc2c(c1)c1CCCC3c1n2CNC3

STK530771
Synonyms: 3- (4- aminophenyl)- 7- (diethylamino)- 4- methyl- 2H- chromen- 2- one
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2C)c1ccc(cc1)N)CC

STK530772
Synonyms: 2- (3- {[4- chloro- 5- methyl- 2- (propan- 2- yl)phenoxy]methyl}- 4- methoxyphenyl)- 3- [2- (diethylamino)ethyl]- 2,3- dihydroquinazolin- 4(1H)- one
Smiles: CCN(CCN1C(Nc2c(C1=O)cccc2)c1ccc(c(c1)COc1cc(C)c(cc1C(C)C)Cl)OC)CC

STK530774
Synonyms: (2E)- 2- (acetylamino)- 3- (1,3- benzodioxol- 5- yl)- N- (2- hydroxyethyl)prop- 2- enamide
Smiles: OCCNC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)C

STK530777
Synonyms: N'- [(2- bromo- 1- methylcyclopropyl)carbonyl]- 4,6- dimethyl- 2- oxo- 2H- pyran- 5- carbohydrazide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)NNC(=O)C1(C)CC1Br

STK530782
Synonyms: 8- fluoro- 4- [4- (4- fluorophenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: Fc1ccc(cc1)N1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)F

STK835444
Synonyms: 2- butyl- 3- (2- hydroxyphenyl)quinazolin- 4(3H)- one
Smiles: CCCCc1nc2ccccc2c(=O)n1c1ccccc1O

STK530790
Synonyms: 3- (9- methyl- 2,4- dioxaspiro[5.5]undec- 8- en- 3- yl)pyridine
Smiles: CC1=CC[C@@]2(CC1)COC(OC2)c1cccnc1

STK530796
Synonyms: ethyl5- fluoro- 3- [(E)- (4- phenylpiperazin- 1- yl)diazenyl]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/N=N/N1CCN(CC1)c1ccccc1)cc(cc2)F

STK530798
Synonyms: 2,4,5,6- tetramethylpyridin- 3- ol
Smiles: Cc1c(C)nc(c(c1C)O)C

STK530799
Synonyms: 5- {[(2- methylpropyl)sulfanyl]methyl}- 1- benzofuran- 2- carboxylicacid
Smiles: CC(CSCc1ccc2c(c1)cc(o2)C(=O)O)C

STK835449
Synonyms: 3- benzyl- 5- cyclohexyl- 5- methyl- 2- (propylsulfanyl)- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: CCCSc1nc2c3ccccc3CC(c2c(=O)n1Cc1ccccc1)(C)C1CCCCC1

STK530801
Synonyms: 7- [(2E)- but- 2- en- 1- yl]- 8- (diethylamino)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C/C=C/Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N(CC)CC

STK530802
Synonyms: 3- (3,5- dimethoxybenzyl)- 8- fluoro- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1cc(cc(c1)OC)Cn1cnc2c(c1=O)[nH]c1c2cc(cc1)F

STK530809
Synonyms: 2- amino- 1- cyclohexyl- N- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: O=C(c1c2nc3ccccc3nc2n(c1N)C1CCCCC1)NCCc1ccccc1

STK530810
Synonyms: (3Z)- 3- (3,3- dimethyl- 3,4- dihydroisoquinolin- 1(2H)- ylidene)- N'- [(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]- 2- oxopropanehydrazide
Smiles: COc1cc(/C=N/NC(=O)C(=O)/C=C/2\NC(C)(C)Cc3c2cccc3)ccc1O

STK530815
Synonyms: 2- chloro- N- (2- cyclohexyl- 6,6- dimethyl- 4- oxo- 5,8- dihydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 3(6H)- yl)acetamide
Smiles: ClCC(=O)Nn1c(nc2c(c1=O)c1CC(C)(C)OCc1s2)C1CCCCC1

STK530823
Synonyms: 4- ({N- [(4- methoxyphenyl)carbonyl]- beta- alanyl}amino)butanoicacid
Smiles: COc1ccc(cc1)C(=O)NCCC(=O)NCCCC(=O)O

STK835452
Synonyms: 2- (5- acetyl- 2- ethoxybenzyl)propanediamide
Smiles: CCOc1ccc(cc1CC(C(=O)N)C(=O)N)C(=O)C

STK530832
Synonyms: N'- [(E)- 1,3- benzodioxol- 5- ylmethylidene]- 3- (2,2- dichloroethenyl)- 2,2- dimethylcyclopropanecarbohydrazide
Smiles: ClC(=CC1C(C1(C)C)C(=O)N/N=C/c1ccc2c(c1)OCO2)Cl

STK530834
Synonyms: 2- [(2- tert- butyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)amino]ethanol
Smiles: OCCNc1nc(nc2c1c1CCCCc1s2)C(C)(C)C

STK530835
Synonyms: 1- {[3- (dimethylamino)propyl]amino}- 3- (8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)propan- 2- ol
Smiles: OC(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)CNCCCN(C)C

STK835455
Synonyms: 4- methoxy- 2- (5- phenyl- 1H- pyrazol- 3- yl)phenol
Smiles: COc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1)O

STK835457
Synonyms: 5,5- diethyl- 2- [(2- hydroxyethyl)amino]- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: OCCNc1nc2c3ccccc3CC(c2c(=O)[nH]1)(CC)CC

STK530841
Synonyms: ethyl1- amino- 3- cyclopentyl- 3,4- dihydronaphthalene- 2- carboxylate
Smiles: CCOC(=O)C1=C(N)c2c(CC1C1CCCC1)cccc2

STK530842
Synonyms: N'- [(1E)- 4- hydroxy- 4- methylpent- 2- yn- 1- ylidene]pyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)N/N=C/C#CC(O)(C)C

STK530843
Synonyms: 2- (carboxymethyl)- 1,4- dimethyl- 1H- pyrrole- 3- carboxylicacid
Smiles: OC(=O)Cc1n(C)cc(c1C(=O)O)C

STK530844
Synonyms: 3- methoxy- 5- phenyl- 1,2- oxazole
Smiles: COc1noc(c1)c1ccccc1

STK835458
Synonyms: 6- (4- methoxyphenoxy)- 2,3,4,9- tetrahydro- 1H- carbazol- 1- one
Smiles: COc1ccc(cc1)Oc1ccc2c(c1)c1CCCC(=O)c1[nH]2

STK835460
Synonyms: N- benzyl- N- (3- chloro- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)acetamide
Smiles: CC(=O)N(C1=C(Cl)C(=O)c2c(C1=O)cccc2)Cc1ccccc1

STK835464
Synonyms: (2Z)- N- hydroxy- 4- [5- methyl- 3- (5- methylfuran- 2- yl)- 1- benzofuran- 2- yl]butan- 2- imine
Smiles: O/N=C(\CCc1oc2c(c1c1ccc(o1)C)cc(cc2)C)/C

STK530849
Synonyms: methyl(5E)- 5- [1- (benzylamino)butylidene]- 2,2- dimethyl- 4,6- dioxocyclohexanecarboxylate
Smiles: CCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NCc1ccccc1

STK530850
Synonyms: 2- amino- N- phenyl- 1- (4- sulfamoylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: O=C(c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)S(=O)(=O)N)Nc1ccccc1

STK530852
Synonyms: (5E)- 5- {[5- (2- methoxyphenyl)furan- 2- yl]methylidene}furan- 2(5H)- one
Smiles: COc1ccccc1c1ccc(o1)/C=C/1\C=CC(=O)O1

STK530853
Synonyms: 8- ethyl- 2,3,3a,4,5,6- hexahydro- 1H- pyrazino[3,2,1- jk]carbazole
Smiles: CCc1ccc2c(c1)c1CCCC3c1n2CCN3

STK530860
Synonyms: 4,4'- [(6- ethoxy- 1,3,5- triazine- 2,4- diyl)bis(oxy)]dibenzoicacid
Smiles: CCOc1nc(Oc2ccc(cc2)C(=O)O)nc(n1)Oc1ccc(cc1)C(=O)O

STK530872
Synonyms: 2- methoxy- 6- [(E)- 2- (pyridin- 2- yl)ethenyl]phenol
Smiles: COc1cccc(c1O)/C=C/c1ccccn1

STK530874
Synonyms: methyl5- bromo- 6- oxo- 1- (pyridin- 3- ylmethyl)- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cn(Cc2cccnc2)c(=O)c(c1)Br

STK530875
Synonyms: 3- ({[4- (2- methylpropoxy)phenyl]carbonyl}amino)- 3- phenylpropanoicacid
Smiles: CC(COc1ccc(cc1)C(=O)NC(c1ccccc1)CC(=O)O)C

STK530879
Synonyms: 5,5- dimethyl- 3- (pyridin- 2- yl)- 5,6- dihydro[1,2,4]triazolo[3,4- a]isoquinoline
Smiles: CC1(C)Cc2ccccc2c2n1c(nn2)c1ccccn1

STK530880
Synonyms: 6- oxo- N- (2- phenylethyl)- 6H- anthra[1,9- cd][1,2]oxazole- 3- carboxamide
Smiles: O=C1c2ccccc2c2c3c1ccc(c3no2)C(=O)NCCc1ccccc1

STK530883
Synonyms: (2E)- N- [2- (1H- indol- 3- yl)ethyl]- 3- phenylprop- 2- enamide
Smiles: O=C(/C=C/c1ccccc1)NCCc1c[nH]c2c1cccc2

STK835475
Synonyms: 6- acetyl- 9- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- one
Smiles: CC(=O)c1ccc2c(c1)c1CCCC(=O)c1n2C

STK835476
Synonyms: 5- butyl- N- [2- (morpholin- 4- yl)ethyl]- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- amine
Smiles: CCCCc1nc2sc3c(c2c2c1CCCC2)ncnc3NCCN1CCOCC1

STK530891
Synonyms: 5- [4- (2- methylpropoxy)benzyl]pyrimidine- 2,4- diamine
Smiles: CC(COc1ccc(cc1)Cc1cnc(nc1N)N)C

STK530892
Synonyms: 5,10,15,20- tetrakis(4- nitrophenyl)porphyrin
Smiles: [O-][N+](=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccc(cc1)[N+](=O)[O-])/C=C3)\c1ccc(cc1)[N+](=O)[O-])/[nH]2)/c1ccc(cc1)[N+](=O)[O-]

STK530896
Synonyms: 2- amino- 4- (1H- benzimidazol- 2- yl)butanoicacid
Smiles: OC(=O)C(CCc1nc2c([nH]1)cccc2)N

STK530897
Synonyms: 5- benzyl- 2- (benzylsulfanyl)- 6- hydroxypyrimidin- 4(1H)- one
Smiles: O=c1nc(SCc2ccccc2)[nH]c(c1Cc1ccccc1)O

STK530898
Synonyms: 8- ethoxy- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazine
Smiles: CCOc1nnnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK835478
Synonyms: 5- [(1H- benzimidazol- 2- ylsulfanyl)methyl]- 3- propyldihydrofuran- 2(3H)- one(non- preferredname)
Smiles: CCCC1CC(OC1=O)CSc1nc2c([nH]1)cccc2

STK835479
Synonyms: 5- phenoxy- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: O=C1c2ccccc2c2c3c1c(ccc3no2)Oc1ccccc1

STK835480
Synonyms: (2E)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- [(3- fluorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)F)/c1scc(n1)c1ccc2c(c1)OCO2

STK835482
Synonyms: (2Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- (4- hydroxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1ccc(cc1)O)/c1scc(n1)c1ccc2c(c1)OCO2

STK835483
Synonyms: 3- chloro- 5- hydroxy- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: Oc1cc(Cl)c2c3c1C(=O)c1ccccc1c3on2

STK835484
Synonyms: ethyl1- amino- 3- cyclohexyl- 3- methyl- 3,4- dihydronaphthalene- 2- carboxylate
Smiles: CCOC(=O)C1=C(N)c2ccccc2CC1(C)C1CCCCC1

STK530909
Synonyms: 1,1'- methanediylbis{3- [3- (1H- benzotriazol- 1- yl)- 2- hydroxypropyl]- 5,5- dimethylimidazolidine- 2,4- dione}
Smiles: OC(Cn1nnc2c1cccc2)CN1C(=O)N(C(C1=O)(C)C)CN1C(=O)N(C(=O)C1(C)C)CC(Cn1nnc2c1cccc2)O

STK835486
Synonyms: 4,6- dimethyl- 2- {[2- (morpholin- 4- yl)ethyl]sulfanyl}pyridine- 3- carbonitrile
Smiles: N#Cc1c(C)cc(nc1SCCN1CCOCC1)C

STK530911
Synonyms: N- [(1Z)- 3- amino- 3- oxo- 1- (pyridin- 4- yl)prop- 1- en- 2- yl]benzamide
Smiles: NC(=O)/C(=C/c1ccncc1)/NC(=O)c1ccccc1

STK530914
Synonyms: 2',2'- dimethylhexahydro- 5H- spiro[1,3- thiazolo[3,2- a]pyridine- 8,4'- thiopyran]- 3(2H)- one
Smiles: O=C1CSC2N1CCCC12CCSC(C1)(C)C

STK530916
Synonyms: 1,2- di(pyridin- 2- yl)ethane- 1,2- diol
Smiles: OC(C(c1ccccn1)O)c1ccccn1

STK530917
Synonyms: (3Z)- 3- ethylidene- 2- benzofuran- 1(3H)- one
Smiles: C/C=C/1\OC(=O)c2c1cccc2

STK530918
Synonyms: (1R,2S,4R,5S)- 3,8- dioxatricyclo[3.2.1.0~2,4~]octane- 6,7- dicarboxylicacid
Smiles: OC(=O)C1[C@@H]2O[C@@H](C1C(=O)O)[C@@H]1[C@H]2O1

STK530920
Synonyms: 1- (8- methyl- 5H- pyrimido[5,4- b]indol- 4- yl)piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)C

STK530923
Synonyms: 1- (3,4- dichlorophenyl)- 2- {2- imino- 3- [2- (pyrrolidin- 1- yl)ethyl]- 2,3- dihydro- 1H- benzimidazol- 1- yl}ethanone
Smiles: O=C(c1ccc(c(c1)Cl)Cl)Cn1c(=N)n(c2c1cccc2)CCN1CCCC1

STK530926
Synonyms: 2- chloro- 4,6- dimethylfuro[2,3- d]pyrimidine
Smiles: Clc1nc(C)c2c(n1)oc(c2)C

STK530929
Synonyms: 3,3- dimethyl- 2,3- dihydropyrazin- 2- ol1,4- dioxide
Smiles: [O-][N+]1=CC=[N+](C(C1O)(C)C)[O-]

STK530932
Synonyms: {[4- (4- methoxyphenyl)- 8- methyl- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}aceticacid
Smiles: COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCC(Cc1s2)C)SCC(=O)O

STK835494
Synonyms: 2- (2- chlorophenyl)- 3- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(nc2c(c1=O)cccc2)c1ccccc1Cl

STK835495
Synonyms: (E)- 1- (1- benzofuran- 2- yl)- 1- (4- chlorophenyl)- N- hydroxymethanimine
Smiles: O/N=C(/c1cc2c(o1)cccc2)\c1ccc(cc1)Cl

STK530935
Synonyms: 4- (4- ethylpiperazin- 1- yl)- 8- fluoro- 5H- pyrimido[5,4- b]indole
Smiles: CCN1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)F

STK530937
Synonyms: 2- [(2E)- 2- (4- methoxybenzylidene)- 1- methylhydrazinyl]- 4- phenyl- 1,3- thiazole
Smiles: COc1ccc(cc1)/C=N/N(c1scc(n1)c1ccccc1)C

STK835496
Synonyms: ethyl1,2- dimethyl- 5- (prop- 2- yn- 1- yloxy)- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OCC#C)cc2)C

STK835497
Synonyms: 1- (4,6- dimethylpyrimidin- 2- yl)- 3- methyl- 5- (prop- 1- en- 2- yl)- 1,4,5,6- tetrahydrocyclopenta[c]pyrazole
Smiles: CC(=C)C1Cc2c(C1)n(nc2C)c1nc(C)cc(n1)C

STK835498
Synonyms: 3- bromo- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: O=C1c2ccccc2c2c3c1ccc(c3no2)Br

STK835499
Synonyms: N- (furan- 2- ylmethyl)- 7- nitro- 2,1,3- benzoxadiazol- 4- amine
Smiles: [O-][N+](=O)c1ccc(c2c1non2)NCc1ccco1

STK530942
Synonyms: N- (3- methoxypropyl)- 1- nitro- 9,10- dioxo- 9,10- dihydroanthracene- 2- carboxamide
Smiles: COCCCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1

STK530943
Synonyms: 3- oxohexahydropyridazine- 4- carbohydrazide
Smiles: NNC(=O)C1CCNNC1=O

STK835501
Synonyms: 2- imino- 5- [2- (4- methylphenyl)- 2- oxoethyl]- 1,3- thiazolidin- 4- one
Smiles: O=C(c1ccc(cc1)C)CC1SC(=N)NC1=O

STK530945
Synonyms: 5- {4- methoxy- 3- [(pyridin- 2- ylsulfanyl)methyl]benzylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1CSc1ccccn1)C=C1C(=O)NC(=O)NC1=O

STK835502
Synonyms: 1- (7- ethyl- 2,3- dihydro- 1,4- benzodioxin- 6- yl)ethanol
Smiles: CCc1cc2OCCOc2cc1C(O)C

STK530949
Synonyms: 1- (3,4- dihydro- 1H- isochromen- 1- yl)methanamine
Smiles: NCC1OCCc2c1cccc2

STK530950
Synonyms: N- {(2E)- 3- (1,3- benzodioxol- 5- yl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}phenylalanine
Smiles: O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)NC(C(=O)O)Cc1ccccc1

STK530953
Synonyms: N- [(2E,4E)- 1- (methylamino)- 1- oxo- 5- phenylpenta- 2,4- dien- 2- yl]benzamide
Smiles: CNC(=O)/C(=C\C=C\c1ccccc1)/NC(=O)c1ccccc1

STK530956
Synonyms: 1- (4,6- dimethylpyrimidin- 2- yl)- 3,4,4- trimethyl- 3b,4,4a,5- tetrahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazole
Smiles: Cc1cc(C)nc(n1)n1nc(c2c1CC1C2C1(C)C)C

STK530959
Synonyms: 1- methyl- 1H- anthra[1,2- d]imidazole- 2,6,11(3H)- trione
Smiles: O=c1c2ccccc2c(=O)c2c1c1c(cc2)[nH]c(=O)n1C

STK530964
Synonyms: 2- amino- N- benzyl- 1- (prop- 2- en- 1- yl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: C=CCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCc1ccccc1

STK530967
Synonyms: N- (2,3- dimethyl- 1,4- dioxidoquinoxalin- 5- yl)acetamide
Smiles: CC(=O)Nc1cccc2c1[n+]([O-])c(c([n+]2[O-])C)C

STK835516
Synonyms: (2E)- 1- (5- chloro- 2- hydroxyphenyl)- 3- (3,4- dimethoxyphenyl)prop- 2- en- 1- one
Smiles: COc1cc(/C=C/C(=O)c2cc(Cl)ccc2O)ccc1OC

STK835517
Synonyms: 7,8,9,10- tetrahydro- 3H- azepino[2,1- f]purin- 4(6H)- one
Smiles: O=c1[nH]cnc2c1n1CCCCCc1n2

STK530976
Synonyms: 3- {2- [(E)- 2- (2- hydroxyphenyl)ethenyl]- 4- oxoquinazolin- 3(4H)- yl}benzoicacid
Smiles: OC(=O)c1cccc(c1)n1c(/C=C/c2ccccc2O)nc2c(c1=O)cccc2

STK530979
Synonyms: 2- methyl- 3- (2- methylphenyl)quinolin- 4- ol
Smiles: Cc1nc2ccccc2c(c1c1ccccc1C)O

STK801744
Synonyms: (2,4- dihydroxyphenyl)(4- hydroxyphenyl)methanone
Smiles: Oc1ccc(cc1)C(=O)c1ccc(cc1O)O

STK530984
Synonyms: 8- fluoro- 4- (4- phenylpiperazin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccccc1

STK530990
Synonyms: ethylN- {[4- (2- methylpropoxy)phenyl]carbonyl}glycylglycinate
Smiles: CCOC(=O)CNC(=O)CNC(=O)c1ccc(cc1)OCC(C)C

STK835519
Synonyms: 5- (4- butoxybenzyl)- 4- chloro- 6- hydrazinyl- 2- (methylsulfanyl)pyrimidine
Smiles: CCCCOc1ccc(cc1)Cc1c(Cl)nc(nc1NN)SC

STK530993
Synonyms: [(7- methyl- 4- oxo- 3- phenyl- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]aceticacid
Smiles: CC1CCc2c(C1)sc1c2c(=O)n(c(n1)SCC(=O)O)c1ccccc1

STK835521
Synonyms: (5- methoxy- 1- benzofuran- 3- yl)(phenyl)methanol
Smiles: COc1ccc2c(c1)c(co2)C(c1ccccc1)O

STK530996
Synonyms: 2- chloro- N- [(diphenylmethyl)carbamoyl]acetamide
Smiles: ClCC(=O)NC(=O)NC(c1ccccc1)c1ccccc1

STK835522
Synonyms: 5- [(3- nitrophenyl)amino]- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: O=C1c2ccccc2c2c3c1c(ccc3no2)Nc1cccc(c1)[N+](=O)[O-]

STK530999
Synonyms: 4- [4- (2- fluorophenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: Fc1ccccc1N1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1

STK531002
Synonyms: 3- (4- propoxyphenyl)- N'- [(E)- pyridin- 4- ylmethylidene]propanehydrazide
Smiles: CCCOc1ccc(cc1)CCC(=O)N/N=C/c1ccncc1

STK531006
Synonyms: 3- ({[4- (3- methylbutoxy)phenyl]carbonyl}amino)- 3- phenylpropanoicacid
Smiles: CC(CCOc1ccc(cc1)C(=O)NC(c1ccccc1)CC(=O)O)C

STK531008
Synonyms: pentaricacid
Smiles: OC(C(C(=O)O)O)C(C(=O)O)O

STK531009
Synonyms: 6- hydroxy- 1- methyl- 5- (2- methylpropanoyl)pyrimidine- 2,4(1H,3H)- dione
Smiles: CC(C(=O)c1c(=O)[nH]c(=O)n(c1O)C)C

STK531010
Synonyms: N- [4- chloro- 2- (phenylcarbonyl)phenyl]- 4,6- dimethyl- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: Clc1ccc(c(c1)C(=O)c1ccccc1)NC(=O)c1c(C)cc(=O)oc1C

STK531011
Synonyms: 3,3,5- trimethyl- 6- phenyldihydro- 2H- pyran- 2,4(3H)- dione
Smiles: CC1C(OC(=O)C(C1=O)(C)C)c1ccccc1

STK531013
Synonyms: 2- [({2- [2- ethyl- 2- methyl- 4- (4- methylphenyl)tetrahydro- 2H- pyran- 4- yl]ethyl}amino)methyl]phenol
Smiles: CCC1(C)OCCC(C1)(CCNCc1ccccc1O)c1ccc(cc1)C

STK531014
Synonyms: (6Z)- 6- {(2E)- [cyclopropyl(phenyl)methylidene]hydrazinylidene}- 5- diazo- 1,3- dimethyldihydropyrimidine- 2,4(1H,3H)- dione
Smiles: [N-]=[N+]=C1/C(=N/N=C(/c2ccccc2)\C2CC2)/N(C)C(=O)N(C1=O)C

STK835528
Synonyms: methyl6- oxo- 6H- anthra[1,9- cd][1,2]oxazole- 3- carboxylate
Smiles: COC(=O)c1ccc2c3c1noc3c1c(C2=O)cccc1

STK531016
Synonyms: N~2~- (phenylcarbonyl)asparagine
Smiles: O=C(c1ccccc1)NC(C(=O)O)CC(=O)N

STK835529
Synonyms: N- (3,4- diacetyl- 2,5- dimethyl- 1H- pyrrol- 1- yl)- 2- hydroxybenzamide
Smiles: O=C(c1ccccc1O)Nn1c(C)c(c(c1C)C(=O)C)C(=O)C

STK531017
Synonyms: methyl(2Z)- 3- (4- hydroxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoate
Smiles: COC(=O)/C(=C/c1ccc(cc1)O)/NC(=O)c1ccccc1

STK531018
Synonyms: 5- [(furan- 2- ylmethyl)amino]- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: O=C1c2ccccc2c2c3c1c(NCc1ccco1)ccc3no2

STK531021
Synonyms: 4,6- dimethyl- N- [2- (morpholin- 4- yl)ethyl]- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)NCCN1CCOCC1

STK531022
Synonyms: 5- hydroxypyridinium- 3- carboxylate
Smiles: [O-]C(=O)c1cc(O)c[nH+]c1

STK531025
Synonyms: N- [2- (dipropan- 2- ylamino)ethyl]- 4,6- dimethyl- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)NCCN(C(C)C)C(C)C

STK531026
Synonyms: 1- (ethylsulfanyl)- 4- (4- methoxyphenyl)- 8- methyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCC(C3)C

STK531027
Synonyms: 2- (2- bromophenyl)cyclohexa- 2,5- diene- 1,4- dione
Smiles: O=C1C=CC(=O)C(=C1)c1ccccc1Br

STK531028
Synonyms: 8- (furan- 2- yl)- 3,3- dimethyl- 6- [(tetrahydrofuran- 2- ylmethyl)amino]- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(NCC2CCCO2)nc(c2c1CC(C)(C)OC2)c1ccco1

STK835534
Synonyms: N- (6- bromo- 2,3,4,9- tetrahydro- 1H- carbazol- 1- yl)formamide
Smiles: O=CNC1CCCc2c1[nH]c1c2cc(cc1)Br

STK835535
Synonyms: 8- (furan- 2- yl)- 3,3- dimethyl- 6- (pyrrolidin- 1- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)OC2)c1ccco1)N1CCCC1

STK531030
Synonyms: 8- phenoxy- 2,3,3a,4,5,6- hexahydro- 1H- pyrazino[3,2,1- jk]carbazole
Smiles: c1ccc(cc1)Oc1ccc2c(c1)c1CCCC3c1n2CCN3

STK835539
Synonyms: 3- (4- hydroxyphenyl)- 2- phenylquinazolin- 4(3H)- one
Smiles: Oc1ccc(cc1)n1c(nc2c(c1=O)cccc2)c1ccccc1

STK835542
Synonyms: ethyl3a,8b- dihydroxy- 2- methyl- 4- oxo- 4,8b- dihydro- 3aH- indeno[1,2- b]furan- 3- carboxylate
Smiles: CCOC(=O)C1=C(C)OC2(C1(O)C(=O)c1c2cccc1)O

STK531036
Synonyms: 3- (3,3- dichloroprop- 2- en- 1- yl)- 4,8- dimethylquinolin- 2(1H)- one
Smiles: ClC(=CCc1c(=O)[nH]c2c(c1C)cccc2C)Cl

STK531037
Synonyms: ethyl1- (8- fluoro- 5H- pyrimido[5,4- b]indol- 4- yl)piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)F

STK531038
Synonyms: 2,2'- [(3,4,5- trimethoxyphenyl)methanediyl]bis[5- (4- methoxyphenyl)cyclohexane- 1,3- dione]
Smiles: COc1cc(cc(c1OC)OC)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)C1C(=O)CC(CC1=O)c1ccc(cc1)OC

STK531042
Synonyms: 2- hydroxy- 4- oxo- 6- phenylcyclohex- 2- ene- 1- carboxylicacid
Smiles: O=C1C=C(O)C(C(C1)c1ccccc1)C(=O)O

STK531043
Synonyms: 1- (4- amino- 2- methylquinolin- 3- yl)ethanol
Smiles: CC(c1c(C)nc2c(c1N)cccc2)O

STK531047
Synonyms: N- (2,1,3- benzothiadiazol- 5- yl)- 4,6- dimethyl- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)Nc1ccc2c(c1)nsn2

STK531048
Synonyms: N- {(2E)- 3- (2- ethoxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}glycine
Smiles: CCOc1ccccc1/C=C(\C(=O)NCC(=O)O)/NC(=O)c1ccccc1

STK531050
Synonyms: ethyl6- (furan- 2- yl)- 2- methyl- 4- oxocyclohex- 2- ene- 1- carboxylate
Smiles: CCOC(=O)C1C(=CC(=O)CC1c1ccco1)C

STK835550
Synonyms: 7- chloro- N- (2- chlorophenyl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: Clc1ccccc1Nc1cc(Cl)c2c(c1[N+](=O)[O-])non2

STK531055
Synonyms: 3,4- dimethoxy- N'- [(3E)- 2- oxo- 1- {[2- (pyridin- 3- yl)piperidin- 1- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]benzohydrazide
Smiles: COc1cc(ccc1OC)C(=O)N/N=C/1\c2ccccc2N(C1=O)CN1CCCCC1c1cccnc1

STK531060
Synonyms: 5- butanoylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCCC(=O)C1C(=O)NC(=O)NC1=O

STK531061
Synonyms: 6- {[3- (diethylamino)propyl]amino}- 8- (furan- 2- yl)- 3,3- dimethyl- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCN(CCCNc1nc(c2ccco2)c2c(c1C#N)CC(OC2)(C)C)CC

STK835552
Synonyms: (5E)- 1- (4- ethoxyphenyl)- 5- (1H- pyrrol- 2- ylmethylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2[nH]ccc2)/C1=O

STK531065
Synonyms: 3- (ethylsulfanyl)- 9- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCSc1nnc2n1cnc1c2c2CCC(Cc2s1)C

STK531066
Synonyms: N- (3- cyano- 4- methyl- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)benzamide
Smiles: N#Cc1c(NC(=O)c2ccccc2)sc2c1C(C)CCC2

STK835557
Synonyms: (1E)- 6- (benzyloxy)- N- hydroxy- 2,3,4,9- tetrahydro- 1H- carbazol- 1- imine
Smiles: O/N=C/1\CCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

STK531068
Synonyms: N,N- dimethyl- N'- (5- phenyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl)ethane- 1,2- diamine
Smiles: CN(CCNc1ncnc2c1sc1c2c2CCCCc2c(n1)c1ccccc1)C

STK531069
Synonyms: 5- (2- chloroethoxy)- 1- (4- chloro- 2- fluoro- 5- hydroxyphenyl)- 3,4- dimethyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: ClCCOC1C(=C(C(=O)N1c1cc(O)c(cc1F)Cl)C)C

STK531071
Synonyms: 1- {[4- (2- methylpropoxy)phenyl]carbonyl}proline
Smiles: CC(COc1ccc(cc1)C(=O)N1CCCC1C(=O)O)C

STK531073
Synonyms: 12- ethyl- 12- methyl- 12,13- dihydro- 10H- pyrano[4',3':4,5]thieno[3,2- e]bis[1,2,4]triazolo[4,3- a:4',3'- c]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c3nncn3c3n(c1s2)cnn3

STK531074
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 6- hydroxy- 2- (methylsulfanyl)- 3- phenylpyrimidin- 4(3H)- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2c1c(O)nc(n(c1=O)c1ccccc1)SC

STK531075
Synonyms: N'- (5- butyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl)- N,N- diethylethane- 1,2- diamine
Smiles: CCCCc1nc2sc3c(c2c2c1CCCC2)ncnc3NCCN(CC)CC

STK531076
Synonyms: 2,2'- {[4- (prop- 2- en- 1- yloxy)phenyl]methanediyl}bis[5- (4- methoxyphenyl)cyclohexane- 1,3- dione]
Smiles: COc1ccc(cc1)C1CC(=O)C(C(=O)C1)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)c1ccc(cc1)OCC=C

STK531078
Synonyms: 2,2'- [9- (3- methylbutyl)- 9H- carbazole- 3,6- diyl]diaceticacid
Smiles: CC(CCn1c2ccc(cc2c2c1ccc(c2)CC(=O)O)CC(=O)O)C

STK531079
Synonyms: 7- amino- 4,6- dimethylquinolin- 2(1H)- one
Smiles: Cc1cc2c(C)cc(=O)[nH]c2cc1N

STK531080
Synonyms: 2- (2- imino- 3- methyl- 2,3- dihydro- 1H- benzimidazol- 1- yl)- 1- (3- methoxyphenyl)ethanone
Smiles: COc1cccc(c1)C(=O)Cn1c(=N)n(c2c1cccc2)C

STK531081
Synonyms: 2- [(2- methylpropyl)sulfanyl]butanedioicacid
Smiles: CC(CSC(C(=O)O)CC(=O)O)C

STK835562
Synonyms: 2- [(E)- 2- (2- fluorophenyl)ethenyl]- 3- (naphthalen- 2- yl)quinazolin- 4(3H)- one
Smiles: Fc1ccccc1/C=C/c1nc2ccccc2c(=O)n1c1ccc2c(c1)cccc2

STK531082
Synonyms: [(9aR)- 9,9,9a- trimethyl- 2- oxo- 2,3,9,9a- tetrahydro- 1H- imidazo[1,2- a]indol- 1- yl]acetonitrile
Smiles: N#CCN1C(=O)CN2[C@@]1(C)C(C)(C)c1c2cccc1

STK835564
Synonyms: [8,8- dimethyl- 1- (prop- 2- yn- 1- yl)- 9- oxa- 1,4- diazaspiro[5.5]undec- 4- yl]acetonitrile
Smiles: C#CCN1CCN(CC21CCOC(C2)(C)C)CC#N

STK531086
Synonyms: 7- amino- 5H- chromeno[2,3- b]pyridin- 5- one
Smiles: Nc1ccc2c(c1)c(=O)c1c(o2)nccc1

STK531087
Synonyms: N- (3,5- dimethoxybenzyl)- 8- methoxy- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: COc1cc(CNc2ncnc3c2[nH]c2c3cc(cc2)OC)cc(c1)OC

STK531090
Synonyms: N- [(3Z)- 5- (methylsulfanyl)- 3H- 1,2,4- dithiazol- 3- ylidene]benzamide
Smiles: CSc1ss/c(=N\C(=O)c2ccccc2)/n1

STK835568
Synonyms: 2- {[5- (ethoxymethyl)- 2- methylpyrimidin- 4- yl]amino}- 1- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)ethanone
Smiles: CCOCc1cnc(nc1NCC(=O)c1c(C)n(c2c1cc(OC)cc2)C)C

STK531094
Synonyms: 5- carbamoylpyridinium- 3- olate
Smiles: [O-]c1cc(c[nH+]c1)C(=O)N

STK531095
Synonyms: methyl(5E)- 2,2- dimethyl- 4,6- dioxo- 5- [1- (pyrrolidin- 1- yl)propylidene]cyclohexanecarboxylate
Smiles: CC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/N1CCCC1

STK835569
Synonyms: N- (2,3,4,9- tetrahydro- 1H- carbazol- 1- yl)formamide
Smiles: O=CNC1CCCc2c1[nH]c1c2cccc1

STK531101
Synonyms: [1- (1H- indol- 3- yl)isoquinolin- 2(1H)- yl](phenyl)methanone
Smiles: O=C(N1C=Cc2c(C1c1c[nH]c3c1cccc3)cccc2)c1ccccc1

STK835570
Synonyms: 2- amino- N- benzyl- 1- butyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCc1ccccc1

STK531102
Synonyms: N- (3- chlorophenyl)- 4- ({[(4,4- dimethyl- 2,6- dioxocyclohexylidene)methyl]amino}methyl)piperidine- 1- carbothioamide
Smiles: Clc1cccc(c1)NC(=S)N1CCC(CC1)CNC=C1C(=O)CC(CC1=O)(C)C

STK531109
Synonyms: ethyl1- (5H- pyrimido[5,4- b]indol- 4- yl)piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1

STK835575
Synonyms: 2- [(E)- 2- phenylethenyl]quinazolin- 4(3H)- one
Smiles: O=c1[nH]c(/C=C/c2ccccc2)nc2c1cccc2

STK531117
Synonyms: (3aR,6aR)- 5- (3- methoxyphenyl)- 3- (pyrazin- 2- ylcarbonyl)- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: COc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)C(=NN2)C(=O)c1cnccn1

STK531120
Synonyms: 2- [4- (4- fluorophenyl)piperazin- 1- yl]- 1- (1H- indol- 3- yl)ethanol
Smiles: Fc1ccc(cc1)N1CCN(CC1)CC(c1c[nH]c2c1cccc2)O

STK531124
Synonyms: 6,7,8,9- tetrahydro- 11H- indeno[1,2- b]quinoxalin- 11- one5- oxide
Smiles: [O-][n+]1c2CCCCc2nc2c1c1ccccc1C2=O

STK531128
Synonyms: propan- 2- yl(2Z)- 3- (4- hydroxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoate
Smiles: CC(OC(=O)/C(=C/c1ccc(cc1)O)/NC(=O)c1ccccc1)C

STK531130
Synonyms: 4- (2- aminoethyl)phenol
Smiles: NCCc1ccc(cc1)O

STK531135
Synonyms: 2- [(2- methoxy- 2- oxoethyl)amino]benzoicacid
Smiles: COC(=O)CNc1ccccc1C(=O)O

STK531141
Synonyms: N'- [(E)- (4- methoxyphenyl)methylidene]- 6- oxo- 1,6- dihydropyridazine- 3- carbohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)c1ccc(=O)[nH]n1

STK835588
Synonyms: ethylhydroxy(6- methyl- 1- oxo- 2,3,4,9- tetrahydro- 1H- carbazol- 2- yl)acetate
Smiles: CCOC(=O)C(C1CCc2c(C1=O)[nH]c1c2cc(cc1)C)O

STK531147
Synonyms: 1- [(3- chloro- 2- methylphenyl)amino]- 3- (3,6- diiodo- 9H- carbazol- 9- yl)propan- 2- ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)I)I)CNc1cccc(c1C)Cl

STK835595
Synonyms: 1,3,7,9- tetramethyldipyrimido[4,5- c:4',5'- g][1,2,5,6]tetrazocine- 2,4,8,10(1H,3H,7H,9H)- tetrone
Smiles: O=c1c2nnc3c(nnc2n(c(=O)n1C)C)c(=O)n(c(=O)n3C)C

STK835596
Synonyms: 3,4- dihydroquinolin- 1(2H)- yl[4- (pyrrolidin- 1- ylsulfonyl)phenyl]methanone
Smiles: O=C(N1CCCc2c1cccc2)c1ccc(cc1)S(=O)(=O)N1CCCC1

STK835597
Synonyms: 2- (3- {[5- (1,3- benzodioxol- 5- yl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}propyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1N(CCCSc2nnc(n2c2ccccc2)c2ccc3c(c2)OCO3)C(=O)c2c1cccc2

STK531148
Synonyms: 4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- (2- methylphenyl)butanamide
Smiles: CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)Nc1ccccc1C

STK531149
Synonyms: N- (1,3- thiazol- 2- yl)phenazine- 1- carboxamide
Smiles: O=C(c1cccc2c1nc1ccccc1n2)Nc1nccs1

STK531151
Synonyms: (2E)- N- (2- {(2Z)- 2- [1- (furan- 2- yl)ethylidene]hydrazinyl}- 2- oxoethyl)- 3- (4- methoxyphenyl)prop- 2- enamide(non- preferredname)
Smiles: COc1ccc(cc1)/C=C/C(=O)NCC(=O)N/N=C(\c1ccco1)/C

STK835601
Synonyms: 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (3- nitrophenyl)ethanone
Smiles: Clc1cccc(c1)c1nnc(n1c1ccccc1)SCC(=O)c1cccc(c1)[N+](=O)[O-]

STK531153
Synonyms: 5- [(2- chlorophenyl)amino]- 5- oxo- 2- propylpentanoicacid
Smiles: CCCC(C(=O)O)CCC(=O)Nc1ccccc1Cl

STK835603
Synonyms: 2- (hexylsulfanyl)- 5- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCCCCSc1nc(N)c2c(n1)sc1c2C(C)CCC1

STK835607
Synonyms: N- (1,3- benzothiazol- 2- yl)- 4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanamide
Smiles: CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)Nc1nc2c(s1)cccc2

STK835610
Synonyms: 4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- (2- hydroxy- 4- nitrophenyl)butanamide
Smiles: CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)Nc1ccc(cc1O)[N+](=O)[O-]

STK531159
Synonyms: N'- cyclohexylidene- 3- (3,5- dimethyl- 1H- pyrazol- 1- yl)propanehydrazide
Smiles: O=C(NN=C1CCCCC1)CCn1nc(cc1C)C

STK835615
Synonyms: 1- [(4- chlorophenyl)amino]- 2- ethyl- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1Nc1ccc(cc1)Cl)c1ccccc1n2

STK531160
Synonyms: N- (2- chlorophenyl)- 4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanamide
Smiles: CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)Nc1ccccc1Cl

STK835616
Synonyms: 3- benzyl- 2- [(E)- 2- (3- methylphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1cccc(c1)/C=C/c1nc2ccccc2c(=O)n1Cc1ccccc1

STK835620
Synonyms: 2- [(3- methyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C)CCCCC3

STK835622
Synonyms: ethyl(2Z)- 2- [(5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 7- methyl- 3- oxo- 5- phenyl- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1c(C)nn(c1Cl)c1ccccc1)/s2

STK531172
Synonyms: 4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- [5- (2- methylpropyl)- 1,3,4- thiadiazol- 2- yl]butanamide
Smiles: CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)Nc1nnc(s1)CC(C)C

STK531175
Synonyms: 2- {[4- cyano- 1- (piperidin- 1- yl)- 5,6,7,8- tetrahydroisoquinolin- 3- yl]sulfanyl}propanoicacid
Smiles: N#Cc1c(SC(C(=O)O)C)nc(c2c1CCCC2)N1CCCCC1

STK531176
Synonyms: N- (biphenyl- 4- yl)- 4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanamide
Smiles: CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)Nc1ccc(cc1)c1ccccc1

STK531177
Synonyms: 3- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]propanehydrazide
Smiles: COc1cc(/C=N/NC(=O)CCn2nc(cc2C)C)ccc1O

STK835627
Synonyms: N- [(Z)- (4- nitrophenyl)methylidene]- 1- (tricyclo[4.3.1.1~3,8~]undec- 3- yl)methanamine
Smiles: [O-][N+](=O)c1ccc(cc1)/C=N\CC12CCC3CC(C1)CC(C2)C3

STK835629
Synonyms: (5Z)- 3- [4- (azepan- 1- yl)- 4- oxobutyl]- 5- (4- ethylbenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)N1CCCCCC1

STK531179
Synonyms: 2- {2- [4- (1,3- benzodioxol- 5- ylcarbonyl)piperazin- 1- yl]ethyl}- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: O=C(c1ccc2c(c1)OCO2)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK835631
Synonyms: N- (2- ethoxyphenyl)- 4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanamide
Smiles: CCOc1ccccc1NC(=O)CCCN1C(=S)S/C(=C\c2ccc(cc2)CC)/C1=O

STK835632
Synonyms: 2- {[(3- bromo- 6- chloroimidazo[1,2- a]pyridin- 2- yl)methyl]sulfanyl}- 1H- benzimidazole
Smiles: Clc1ccc2n(c1)c(Br)c(n2)CSc1nc2c([nH]1)cccc2

STK835634
Synonyms: 3- (furan- 2- ylmethyl)- 2- [(2- phenylethyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: O=c1n(Cc2ccco2)c(SCCc2ccccc2)nc2c1C1(CCCCC1)Cc1c2cccc1

STK835638
Synonyms: 4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- (pyridin- 2- yl)butanamide
Smiles: CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)Nc1ccccn1

STK531197
Synonyms: 4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- (4- methoxyphenyl)butanamide
Smiles: CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)Nc1ccc(cc1)OC

STK531199
Synonyms: 3- (furan- 2- ylmethyl)- 2- (methylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK835644
Synonyms: 5- {2- [(4- methylphenyl)amino]- 1,3- thiazol- 4- yl}- 3- (2- methylpropyl)dihydrofuran- 2(3H)- one
Smiles: CC(CC1CC(OC1=O)c1csc(n1)Nc1ccc(cc1)C)C

STK531208
Synonyms: 3- (4- bromophenyl)- 5- methyl[1,2,4]triazolo[4,3- a]pyrimidin- 7(8H)- one
Smiles: Brc1ccc(cc1)c1nnc2n1c(C)cc(=O)[nH]2

STK531211
Synonyms: {[5- methyl- 3- (4- methylphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}aceticacid
Smiles: OC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)C(C)CCC3

STK531218
Synonyms: {[3- (2- methoxyphenyl)- 4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}aceticacid
Smiles: COc1ccccc1n1c(SCC(=O)O)nc2c(c1=O)c1CCCc1s2

STK531219
Synonyms: 3- bromo- 2- {[(4- methylphenyl)sulfanyl]methyl}imidazo[1,2- a]pyrimidine
Smiles: Cc1ccc(cc1)SCc1nc2n(c1Br)cccn2

STK835659
Synonyms: 2,8,8- trimethyl- N- (prop- 2- en- 1- yl)- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4- amine
Smiles: C=CCNc1nc(C)nc2c1sc1c2cc2c(n1)CC(OC2)(C)C

STK531226
Synonyms: 4- nitro- N'- (4- {(5E)- 5- [3- (4- {2- [(4- nitrophenyl)carbonyl]hydrazinyl}- 4- oxobutyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}butanoyl)benzohydrazide
Smiles: O=C(NNC(=O)c1ccc(cc1)[N+](=O)[O-])CCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCC(=O)NNC(=O)c2ccc(cc2)[N+](=O)[O-])/C1=O

STK531232
Synonyms: 3- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(E)- (4- fluorophenyl)methylidene]propanehydrazide
Smiles: O=C(CCn1nc(cc1C)C)N/N=C/c1ccc(cc1)F

STK835661
Synonyms: 3- ({4- [(2E)- 3- phenylprop- 2- en- 1- yl]piperazin- 1- yl}carbonyl)- 8- (prop- 2- en- 1- yl)- 2H- chromen- 2- one
Smiles: C=CCc1cccc2c1oc(=O)c(c2)C(=O)N1CCN(CC1)C/C=C/c1ccccc1

STK531239
Synonyms: N'- {4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoyl}- 4- fluorobenzohydrazide
Smiles: CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)NNC(=O)c1ccc(cc1)F

STK835667
Synonyms: N- (2- ethoxyphenyl)- 6- methoxy- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: CCOc1ccccc1NC(=O)c1cc2cc(OC)ccc2oc1=O

STK835668
Synonyms: 3- methyl- 1- (pyridin- 4- ylamino)pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#Cc1c(C)cc(n2c1nc1c2cccc1)Nc1ccncc1

STK835671
Synonyms: N- (4- ethoxyphenyl)- 4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanamide
Smiles: CCOc1ccc(cc1)NC(=O)CCCN1C(=S)S/C(=C\c2ccc(cc2)CC)/C1=O

STK531248
Synonyms: (1- amino- 8,8- dimethyl- 5- propyl- 8,9- dihydro- 6H- furo[2,3- b]pyrano[4,3- d]pyridin- 2- yl)(4- chlorophenyl)methanone
Smiles: CCCc1nc2oc(c(c2c2c1COC(C2)(C)C)N)C(=O)c1ccc(cc1)Cl

STK531251
Synonyms: 2- [(2- hydroxyethyl)amino]- 1- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)propan- 1- one
Smiles: OCCNC(C(=O)C12CC3CC(C2)CC(C1)C3)C

STK531252
Synonyms: {[6- ethyl- 3- (4- methoxyphenyl)- 6- methyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}aceticacid
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n(c1=O)c1ccc(cc1)OC)SCC(=O)O

STK835674
Synonyms: 3- (2- hydroxyethyl)- 2- [(E)- 2- (4- nitrophenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: OCCn1c(/C=C/c2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK835675
Synonyms: methyl[(5Z)- 5- (3- bromobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]acetate
Smiles: COC(=O)CN1C(=S)S/C(=C\c2cccc(c2)Br)/C1=O

STK835676
Synonyms: 3- methyl- 1- {[3- (trifluoromethyl)phenyl]amino}pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#Cc1c(C)cc(n2c1nc1c2cccc1)Nc1cccc(c1)C(F)(F)F

STK531257
Synonyms: 1- methyl- 4- phenyl- 7- (propan- 2- yl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(C1OCc2c(C1)c1c(=O)n(c3ccccc3)c3n(c1s2)c(C)nn3)C

STK531259
Synonyms: [(1R,3S)- 2,2- dimethyl- 3- (2- methyl- 1H- indol- 3- yl)cyclopropyl]acetonitrile
Smiles: N#CC[C@@H]1[C@@H](C1(C)C)c1c(C)[nH]c2c1cccc2

STK531261
Synonyms: 2- (azepan- 1- yl)- N- (4- methoxyphenyl)- 5- nitrobenzamide
Smiles: COc1ccc(cc1)NC(=O)c1cc(ccc1N1CCCCCC1)[N+](=O)[O-]

STK531262
Synonyms: 3- chloro- N'- {4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoyl}benzohydrazide
Smiles: CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)NNC(=O)c1cccc(c1)Cl

STK835680
Synonyms: 3- (2- hydroxyethyl)- 2- [(E)- 2- (3- nitrophenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: OCCn1c(/C=C/c2cccc(c2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK531264
Synonyms: 3- {2- [(2E)- 2- (cyclohex- 3- en- 1- ylmethylidene)hydrazinyl]- 1,3- thiazol- 4- yl}- 2H- chromen- 2- one
Smiles: O=c1oc2ccccc2cc1c1csc(n1)N/N=C/C1CCC=CC1

STK835681
Synonyms: 2- (5- acetyl- 2- propoxybenzyl)propanediamide
Smiles: CCCOc1ccc(cc1CC(C(=O)N)C(=O)N)C(=O)C

STK531266
Synonyms: (6E)- 6- (furan- 2- ylmethylidene)- 5- imino- 2- (trifluoromethyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1ccco1)C(F)(F)F

STK835684
Synonyms: 2- benzyl- 1- (1H- imidazol- 1- yl)- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#Cc1c(C)c(Cc2ccccc2)c(n2c1nc1c2cccc1)n1ccnc1

STK835685
Synonyms: 4- phenyl- N- [(1- phenylcyclopentyl)methyl]tetrahydro- 2H- pyran- 4- carboxamide
Smiles: O=C(C1(CCOCC1)c1ccccc1)NCC1(CCCC1)c1ccccc1

STK531275
Synonyms: 4,4'- [(6- methoxy- 1,3,5- triazine- 2,4- diyl)bis(oxy)]dibenzoicacid
Smiles: COc1nc(Oc2ccc(cc2)C(=O)O)nc(n1)Oc1ccc(cc1)C(=O)O

STK531277
Synonyms: butyl[(5Z)- 5- (3- bromobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]acetate
Smiles: CCCCOC(=O)CN1C(=S)S/C(=C\c2cccc(c2)Br)/C1=O

STK835688
Synonyms: (3Z)- 5- bromo- 3- {(2Z)- 2- [(2,3- dimethylphenyl)imino]- 4- oxo- 1,3- thiazolidin- 5- ylidene}- 1,3- dihydro- 2H- indol- 2- one
Smiles: Brc1ccc2c(c1)/C(=C\1/S/C(=N\c3cccc(c3C)C)/NC1=O)/C(=O)N2

STK531279
Synonyms: N~1~,N~1~- diethyl- N~4~- (1- methyl- 1H- benzimidazol- 2- yl)pentane- 1,4- diamine
Smiles: CCN(CCCC(Nc1nc2c(n1C)cccc2)C)CC

STK531280
Synonyms: N- [4- (imidazo[1,2- a]pyridin- 2- yl)phenyl]pyridine- 4- carboxamide
Smiles: O=C(c1ccncc1)Nc1ccc(cc1)c1nc2n(c1)cccc2

STK531281
Synonyms: 3- ({4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoyl}amino)benzoicacid
Smiles: CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)Nc1cccc(c1)C(=O)O

STK835690
Synonyms: pentyl[(5Z)- 5- (3- bromobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]acetate
Smiles: CCCCCOC(=O)CN1C(=S)S/C(=C\c2cccc(c2)Br)/C1=O

STK835694
Synonyms: N- (3- methylphenyl)- 3- [(5E)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl]propanamide
Smiles: COc1cc(/C=C\2/SC(=S)N(C2=O)CCC(=O)Nc2cccc(c2)C)cc(c1OC)OC

STK835697
Synonyms: 3- [(5E)- 5- benzylidene- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- [3- (morpholin- 4- yl)propyl]propanamide
Smiles: O=C(CCN1C(=S)S/C(=C/c2ccccc2)/C1=O)NCCCN1CCOCC1

STK835700
Synonyms: 2- [(3,4- dichlorobenzyl)sulfanyl]- 5- (1- phenylcyclopentyl)- 1,3,4- oxadiazole
Smiles: Clc1ccc(cc1Cl)CSc1nnc(o1)C1(CCCC1)c1ccccc1

STK835701
Synonyms: ethyl2- [(phenylcarbonyl)amino]- 5- (propan- 2- yl)- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC(OC2)C(C)C