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

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STK838195
Synonyms: N- (4,7- dimethyl- 2- oxo- 2H- chromen- 6- yl)- 2- iodobenzamide
Smiles: O=c1cc(C)c2c(o1)cc(c(c2)NC(=O)c1ccccc1I)C

STK535910
Synonyms: 2- (4- methoxybenzyl)- 9- methyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccc(cc1)Cc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C

STK535918
Synonyms: 1- [4- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 2,3,5,6- tetrafluorobenzyl]piperidine
Smiles: Cc1nn(c(c1)C)c1c(F)c(F)c(c(c1F)F)CN1CCCCC1

STK535919
Synonyms: N- (4- chlorophenyl)- 6- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 5- cyano- 4- (4- methoxyphenyl)- 2- methylpyridine- 3- carboxamide
Smiles: COc1ccc(cc1)c1c(C#N)c(SCC(=O)c2ccc(cc2)Cl)nc(c1C(=O)Nc1ccc(cc1)Cl)C

STK838205
Synonyms: (4Z)- 2- (4- chloro- 3- nitrophenyl)- 4- (thiophen- 2- ylmethylidene)- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C\c1cccs1)c1ccc(c(c1)[N+](=O)[O-])Cl

STK535925
Synonyms: N'- [(2Z)- 2- hydroxy- 4- (4- methoxyphenyl)- 4- oxobut- 2- enoyl]benzohydrazide
Smiles: COc1ccc(cc1)C(=O)/C=C(/C(=O)NNC(=O)c1ccccc1)\O

STK535928
Synonyms: (3- amino- 1H- 1,2,4- triazol- 1- yl)[4- (hexyloxy)phenyl]methanone
Smiles: CCCCCCOc1ccc(cc1)C(=O)n1cnc(n1)N

STK535929
Synonyms: 5- cyano- 4- (furan- 2- yl)- N- (2- methoxyphenyl)- 2- methyl- 6- {[2- (4- methylphenyl)- 2- oxoethyl]sulfanyl}- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)C)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK838208
Synonyms: 3- amino- N- (3- fluorophenyl)- 4- (5- methylfuran- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Fc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1ccc(o1)C)c1c(n2)CCCC1

STK535937
Synonyms: 2- (4- methyl- 6- phenoxypyrimidin- 2- yl)phenol
Smiles: Cc1cc(Oc2ccccc2)nc(n1)c1ccccc1O

STK838210
Synonyms: 3- (2- methoxyphenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COc1ccccc1n1cnc2c(c1=O)c1CCCCc1s2

STK535938
Synonyms: methyl2- {[(E)- (2- hydroxy- 3- methoxy- 5- nitrophenyl)methylidene]amino}- 6- methyl- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxylate
Smiles: COC(=O)c1c(/N=C/c2cc(cc(c2O)OC)[N+](=O)[O-])sc2c1CCN(C2)C

STK535942
Synonyms: 2- ({(E)- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)benzamide
Smiles: N#C/C(=C\Nc1ccccc1C(=O)N)/c1scc(n1)c1ccc(cc1)Cl

STK838213
Synonyms: 6- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 5- cyano- 4- ethyl- 2- methyl- N- phenylpyridine- 3- carboxamide
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)Cl)nc(c(c1CC)C(=O)Nc1ccccc1)C

STK535943
Synonyms: 3- (1H- indol- 3- yl)- 2- nitro- 1,3- diphenylpropan- 1- one
Smiles: [O-][N+](=O)C(C(c1c[nH]c2c1cccc2)c1ccccc1)C(=O)c1ccccc1

STK535953
Synonyms: 5- (4- bromophenyl)- 3- chloro- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxylicacid
Smiles: Brc1ccc(cc1)c1cc(n2c(n1)c(Cl)c(n2)C(=O)O)C(F)(F)F

STK838217
Synonyms: 8- (butylamino)- 3- methyl- 7- (3- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCNc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]c(=O)n2C

STK535960
Synonyms: (4Z)- 4- [(5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 2- (4- fluorophenyl)- 1,3- oxazol- 5(4H)- one
Smiles: Fc1ccc(cc1)C1=N/C(=C\c2c(C)nn(c2Cl)c2ccccc2)/C(=O)O1

STK838220
Synonyms: 4- chloro- 2- [4- (furan- 2- yl)- 3H- 1,5- benzodiazepin- 2- yl]phenol
Smiles: Clc1ccc(c(c1)C1=Nc2ccccc2N=C(C1)c1ccco1)O

STK535962
Synonyms: 2- hydroxy- 2,2- bis(2- methylphenyl)- N'- [(1E)- 1- phenylbutylidene]acetohydrazide
Smiles: CCC/C(=N\NC(=O)C(c1ccccc1C)(c1ccccc1C)O)/c1ccccc1

STK838223
Synonyms: 4- (4- chlorophenyl)phthalazin- 1(2H)- one
Smiles: Clc1ccc(cc1)c1n[nH]c(=O)c2c1cccc2

STK838224
Synonyms: oxanthrene- 2,3- dicarbonitrile
Smiles: N#Cc1cc2Oc3ccccc3Oc2cc1C#N

STK535968
Synonyms: 6- ({2- [(3- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (furan- 2- yl)- N- (2- methoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Cl)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK535969
Synonyms: 2- {[(2- fluorophenyl)carbonyl]amino}- 4- phenylthiophene- 3- carboxylicacid
Smiles: O=C(c1ccccc1F)Nc1scc(c1C(=O)O)c1ccccc1

STK535972
Synonyms: N- [2- (ethylamino)ethyl]- 4- hydroxy- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCNCCNC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK535973
Synonyms: 4- (2,4- dichlorophenyl)- 2- (3,4- dimethoxyphenyl)- 6H- 1,3- oxazin- 6- one
Smiles: COc1cc(ccc1OC)c1oc(=O)cc(n1)c1ccc(cc1Cl)Cl

STK535974
Synonyms: 2- {[3- cyano- 4- (4- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)CC1c1ccc(cc1)C

STK838227
Synonyms: N- (1,3- benzodioxol- 5- yl)- 5- (4- methoxyphenyl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 3- carboxamide
Smiles: COc1ccc(cc1)C1CC(n2c(N1)c(cn2)C(=O)Nc1ccc2c(c1)OCO2)C(F)(F)F

STK838230
Synonyms: 4- (4- chlorophenoxy)- 2- (pyridin- 3- yl)quinazoline
Smiles: Clc1ccc(cc1)Oc1nc(nc2c1cccc2)c1cccnc1

STK838232
Synonyms: 4- (4- nitro- 1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)phenyl2- methylprop- 2- enoate
Smiles: CC(=C)C(=O)Oc1ccc(cc1)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]

STK535987
Synonyms: (4- benzylpiperazin- 1- yl)[5- (4- bromophenyl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidin- 2- yl]methanone
Smiles: Brc1ccc(cc1)C1Nc2cc(nn2C(C1)C(F)(F)F)C(=O)N1CCN(CC1)Cc1ccccc1

STK535988
Synonyms: ethyl(2Z)- [2- (4- chlorophenyl)hydrazinylidene]{[1- (4- methylphenyl)- 1H- tetrazol- 5- yl]sulfanyl}ethanoate
Smiles: CCOC(=O)/C(=N/Nc1ccc(cc1)Cl)/Sc1nnnn1c1ccc(cc1)C

STK838235
Synonyms: N- (6- tert- butyl- 3- cyano- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)- 2- (3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)acetamide
Smiles: N#Cc1c(NC(=O)Cn2nc(c(c2C)[N+](=O)[O-])C)sc2c1CCC(C2)C(C)(C)C

STK535993
Synonyms: 1- [(2- hydroxyethyl)amino]- 2- [(4- phenylpiperazin- 1- yl)carbonyl]anthracene- 9,10- dione
Smiles: OCCNc1c(ccc2c1C(=O)c1ccccc1C2=O)C(=O)N1CCN(CC1)c1ccccc1

STK535996
Synonyms: 3,6- diamino- N- (4- bromophenyl)- 5- cyano- 4- (3,4- dimethoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1c(N)nc2c(c1c1ccc(c(c1)OC)OC)c(N)c(s2)C(=O)Nc1ccc(cc1)Br

STK838242
Synonyms: 4- (4- fluorophenyl)- 6- oxo- 2- (prop- 2- en- 1- ylsulfanyl)- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: C=CCSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)F

STK536004
Synonyms: 6- ({2- [(3- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (2- ethoxyphenyl)- 2- methyl- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccccc1C1C(=C(SCC(=O)Nc2cccc(c2)Cl)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK536008
Synonyms: 6- ({2- [(4- chloro- 2,5- dimethoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- N- (2- methylphenyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(OC)c(cc2OC)Cl)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK536010
Synonyms: 2- phenyl- N- (1,3,4- thiadiazol- 2- yl)acetamide
Smiles: O=C(Nc1nncs1)Cc1ccccc1

STK838247
Synonyms: 4- methoxy- 2- (4- phenyl- 3H- 1,5- benzodiazepin- 2- yl)phenol
Smiles: COc1ccc(c(c1)C1=Nc2ccccc2N=C(C1)c1ccccc1)O

STK536031
Synonyms: 3- [3- (4- bromophenoxy)propyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccc(cc1)Br

STK536032
Synonyms: 1- (6- methoxy- 3- methyl- 1,4- dioxidoquinoxalin- 2- yl)ethanone
Smiles: COc1ccc2c(c1)[n+]([O-])c(c([n+]2[O-])C(=O)C)C

STK838255
Synonyms: 2- {[(3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)acetyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: O=C(Cn1nc(c(c1C)[N+](=O)[O-])C)Nc1sc2c(c1C(=O)N)CCCC2

STK536037
Synonyms: 3- butyl- 4,9- dimethyl- 8- (phenylcarbonyl)- 2H- furo[2,3- h]chromen- 2- one
Smiles: CCCCc1c(=O)oc2c(c1C)ccc1c2c(C)c(o1)C(=O)c1ccccc1

STK536044
Synonyms: 2- {(E)- [(6- methylpyridin- 2- yl)imino]methyl}- 1- benzothiophene- 3- ol
Smiles: Cc1cccc(n1)/N=C/c1sc2c(c1O)cccc2

STK838257
Synonyms: N- [(5- acetylthiophen- 3- yl)methyl]- 2- chloroacetamide
Smiles: ClCC(=O)NCc1csc(c1)C(=O)C

STK838262
Synonyms: N- (1,3- benzodioxol- 5- yl)- 5- (4- methoxyphenyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 3- carboxamide
Smiles: COc1ccc(cc1)c1cc(n2c(n1)c(cn2)C(=O)Nc1ccc2c(c1)OCO2)C(F)(F)F

STK536048
Synonyms: dipropan- 2- yl({[(3- chlorophenyl)carbamoyl]oxy}methyl)phosphonate
Smiles: O=C(Nc1cccc(c1)Cl)OCP(=O)(OC(C)C)OC(C)C

STK536049
Synonyms: (2Z,5E)- 2- hydroxy- 6- (4- methoxyphenyl)- 4- oxohexa- 2,5- dienoicacid
Smiles: COc1ccc(cc1)/C=C/C(=O)/C=C(/C(=O)O)\O

STK838265
Synonyms: 5- cyano- 6- (ethylsulfanyl)- N- (2- methoxyphenyl)- 2- methyl- 4- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)c1ccccc1

STK838267
Synonyms: 1- (4- chlorophenyl)- 7,7- dimethyl- N- [3- (morpholin- 4- yl)propyl]- 2,5- dioxo- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: Clc1ccc(cc1)n1c2CC(C)(C)CC(=O)c2cc(c1=O)C(=O)NCCCN1CCOCC1

STK536059
Synonyms: 2- [(3- phenylpropanoyl)amino]- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylicacid
Smiles: O=C(Nc1sc2c(c1C(=O)O)CCC2)CCc1ccccc1

STK536060
Synonyms: 4- [4- (diphenylmethyl)piperazin- 1- yl]- 8- methoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK838275
Synonyms: 2- {[3- cyano- 4- (4- ethoxy- 3- methoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: CCOc1ccc(cc1OC)C1CC(=O)NC(=C1C#N)SCC(=O)Nc1cccc2c1cccc2

STK838277
Synonyms: (4Z)- 2- (naphthalen- 2- yl)- 4- (2,3,4- trimethoxybenzylidene)- 1,3- oxazol- 5(4H)- one
Smiles: COc1ccc(c(c1OC)OC)/C=C/1\N=C(OC1=O)c1ccc2c(c1)cccc2

STK838278
Synonyms: 8- {[(2Z)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 1,3- dimethyl- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCn1c(SC/C=C(\Cl)/C)nc2c1c(=O)n(c(=O)n2C)C

STK536070
Synonyms: (4E)- 4- (4- propoxybenzylidene)- 2- (thiophen- 2- yl)- 1,3- oxazol- 5(4H)- one
Smiles: CCCOc1ccc(cc1)/C=C\1/N=C(OC1=O)c1cccs1

STK536073
Synonyms: 5- [(4- iodophenyl)amino]- 5- oxopentane- 1,2,3,4- tetrayltetraacetate(non- preferredname)
Smiles: O=C(C(C(C(OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)Nc1ccc(cc1)I

STK536076
Synonyms: 3- chloro- N',N'- dimethylbenzohydrazide
Smiles: CN(NC(=O)c1cccc(c1)Cl)C

STK536077
Synonyms: methyl4- {[2- (2- hydroxyphenyl)- 6- methylpyrimidin- 4- yl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)Nc1cc(C)nc(n1)c1ccccc1O

STK536080
Synonyms: 5- [(2- methoxyphenyl)amino]- 5- oxopentane- 1,2,3,4- tetrayltetraacetate(non- preferredname)
Smiles: COc1ccccc1NC(=O)C(C(C(OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C

STK536089
Synonyms: 5- amino- 2- (furan- 2- yl)- 1- phenyl- 1,2- dihydro- 3H- pyrrole- 3,3,4- tricarbonitrile
Smiles: N#CC1=C(N)N(C(C1(C#N)C#N)c1ccco1)c1ccccc1

STK536092
Synonyms: 5- ethyl- 1,3- bis[(2- fluorophenyl)carbonyl]- 5- (pentan- 2- yl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCCC(C1(CC)C(=O)N(C(=O)N(C1=O)C(=O)c1ccccc1F)C(=O)c1ccccc1F)C

STK536094
Synonyms: 4- (4- tert- butylphenoxy)- 2- (pyridin- 4- yl)quinazoline
Smiles: CC(c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1)(C)C

STK838286
Synonyms: 5- cyano- 6- ({2- [(4- ethoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- 2- methyl- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccco1

STK838287
Synonyms: 2- [(3- cyano- 6- oxo- 4- phenyl- 1,4,5,6- tetrahydropyridin- 2- yl)sulfanyl]- N- (3,4- dichlorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)Cl)NC(=O)CC1c1ccccc1

STK536098
Synonyms: 3- ethyl- N- (1H- tetrazol- 5- yl)tricyclo[3.3.1.1~3,7~]decane- 1- carboxamide
Smiles: CCC12CC3CC(C1)CC(C2)(C3)C(=O)Nc1nnn[nH]1

STK536099
Synonyms: {[1,3- dimethyl- 7- (2- methylprop- 2- en- 1- yl)- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}aceticacid
Smiles: CC(=C)Cn1c(SCC(=O)O)nc2c1c(=O)n(c(=O)n2C)C

STK838288
Synonyms: [3- amino- 4- (5- methylfuran- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinolin- 2- yl](4- fluorophenyl)methanone
Smiles: Fc1ccc(cc1)C(=O)c1sc2c(c1N)c(c1ccc(o1)C)c1c(n2)CCCC1

STK838291
Synonyms: N- [(1,3- dioxo- 1,3- dihydro- 2H- inden- 2- ylidene)methyl]heptanamide
Smiles: CCCCCCC(=O)N/C=C/1\C(=O)c2c(C1=O)cccc2

STK838293
Synonyms: 2,2'- octane- 1,8- diylbis(1H- benzimidazole)
Smiles: C(CCCc1nc2c([nH]1)cccc2)CCCCc1nc2c([nH]1)cccc2

STK838296
Synonyms: 3- chloro- N- (2- chloropyridin- 3- yl)- 5- (furan- 2- yl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(c1Cl)NC(CC2C(F)(F)F)c1ccco1)Nc1cccnc1Cl

STK536106
Synonyms: ethyl(8S,8aR,11aS,11bS)- 10- (4- chlorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 8- carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccc(cc1)Cl

STK536111
Synonyms: N'~2~,N'~6~- bis[(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]pyridine- 2,6- dicarbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2cccc(n2)C(=O)N/N=C/c2ccc(c(c2)OC)O)ccc1O

STK838301
Synonyms: N- [(1E)- 3- {[2- (1H- indol- 3- yl)ethyl]amino}- 3- oxo- 1- (thiophen- 2- yl)prop- 1- en- 2- yl]furan- 2- carboxamide
Smiles: O=C(/C(=C\c1cccs1)/NC(=O)c1ccco1)NCCc1c[nH]c2c1cccc2

STK536117
Synonyms: 3- (3- tert- butyl- 1- methyl- 7- oxo- 6,7- dihydro- 1H- pyrazolo[4,3- d]pyrimidin- 5- yl)- 4- ethoxybenzenesulfonamide
Smiles: CCOc1ccc(cc1c1nc2c(c(=O)[nH]1)n(nc2C(C)(C)C)C)S(=O)(=O)N

STK536122
Synonyms: (2Z)- 2- {1- [(2- hydroxyphenyl)amino]ethylidene}- 1- benzothiophen- 3(2H)- one
Smiles: Oc1ccccc1N/C(=C/1\Sc2c(C1=O)cccc2)/C

STK536125
Synonyms: 5- cyano- 6- ({2- [(4- iodophenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N- phenyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)I)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

STK838309
Synonyms: methyl2- {[(4- chloro- 5- methyl- 3- nitro- 1H- pyrazol- 1- yl)acetyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=O)Cn2nc(c(c2C)Cl)[N+](=O)[O-])sc2c1CCCC2

STK536134
Synonyms: N'- [(E)- (2- hydroxy- 3- nitro- 6,7,8,9- tetrahydrodibenzo[b,d]furan- 1- yl)methylidene]- 4- methylbenzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N/N=C/c1c2c(oc3c2CCCC3)cc(c1O)[N+](=O)[O-]

STK838314
Synonyms: 2- (4- bromo- 5- methyl- 3- nitro- 1H- pyrazol- 1- yl)- N- (3- cyano- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)acetamide
Smiles: N#Cc1c(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])sc2c1CCC(C2)C

STK536140
Synonyms: methyl3- {[2- (4- cyclohexylpiperazin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)C1CCCCC1)C)cccc2

STK536142
Synonyms: 1- butyl- 5- methoxy- 2- methyl- 1H- indole- 3- carboxylicacid
Smiles: CCCCn1c2ccc(cc2c(c1C)C(=O)O)OC

STK536148
Synonyms: 1- octylpyridin- 4(1H)- imine
Smiles: CCCCCCCCn1ccc(=N)cc1

STK536149
Synonyms: N,N- dibenzyl- 5- (3- methoxyphenyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 3- carboxamide
Smiles: COc1cccc(c1)c1cc(n2c(n1)c(cn2)C(=O)N(Cc1ccccc1)Cc1ccccc1)C(F)(F)F

STK536155
Synonyms: methyl3- [(azepan- 1- ylacetyl)amino]- 5- chloro- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCCCCC1)cc(cc2)Cl

STK838324
Synonyms: methyl4- {(Z)- [2- (furan- 2- yl)- 5- oxo- 1,3- oxazol- 4(5H)- ylidene]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=C/1\N=C(OC1=O)c1ccco1

STK838327
Synonyms: N- butyl- 2- (methylsulfanyl)- 1H- benzimidazole- 1- carboxamide
Smiles: CCCCNC(=O)n1c(SC)nc2c1cccc2

STK838330
Synonyms: 2- [4- (4- chlorophenyl)- 3H- 1,5- benzodiazepin- 2- yl]- 4- methylphenol
Smiles: Clc1ccc(cc1)C1=Nc2ccccc2N=C(C1)c1cc(C)ccc1O

STK838332
Synonyms: propyl{[3- cyano- 4- (4- ethylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetate
Smiles: CCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)CC

STK536164
Synonyms: 4- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 8- bromo- 5H- pyrimido[5,4- b]indole
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK838336
Synonyms: (2Z,2'Z)- N,N'- benzene- 1,4- diylbis(2- hydroxy- 4- oxo- 4- phenylbut- 2- enamide)
Smiles: O=C(/C(=C/C(=O)c1ccccc1)/O)Nc1ccc(cc1)NC(=O)/C(=C/C(=O)c1ccccc1)/O

STK838337
Synonyms: 5- (4- bromophenyl)- 3- chloro- N- cyclohexyl- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: Brc1ccc(cc1)C1CC(n2c(N1)c(Cl)c(n2)C(=O)NC1CCCCC1)C(F)(F)F

STK838339
Synonyms: (4Z,7E)- N,N'- dihydroxy- 2- phenyl- 5,6- dihydro- 2H- benzotriazole- 4,7- diimine
Smiles: O/N=C/1\CC/C(=N/O)/c2c1nn(n2)c1ccccc1

STK536167
Synonyms: 4- (dimethylamino)butan- 2- yldiphenylacetate
Smiles: CN(CCC(OC(=O)C(c1ccccc1)c1ccccc1)C)C

STK838343
Synonyms: 3,5- bis(4- chlorobenzyl)- 1,2,4- oxadiazole
Smiles: Clc1ccc(cc1)Cc1onc(n1)Cc1ccc(cc1)Cl

STK536170
Synonyms: 5- [(3- methylphenyl)amino]- 5- oxopentane- 1,2,3,4- tetrayltetraacetate(non- preferredname)
Smiles: CC(=O)OC(C(C(OC(=O)C)COC(=O)C)OC(=O)C)C(=O)Nc1cccc(c1)C

STK536171
Synonyms: ethyl3- {[2- (4- cyclohexylpiperazin- 1- yl)propanoyl]amino}- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)C1CCCCC1)C)cc(cc2)OC

STK536174
Synonyms: 2,2'- ({4- [2- (morpholin- 4- yl)ethoxy]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)OCCN1CCOCC1

STK838344
Synonyms: 3- amino- N- (4- methoxyphenyl)- 4- (5- methylfuran- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccc(o1)C)c1c(n2)CCCC1

STK536175
Synonyms: 3,3'- [sulfonylbis(benzene- 4,1- diyloxy)]bis[1- (azepan- 1- yl)propan- 2- ol]
Smiles: OC(CN1CCCCCC1)COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OCC(CN1CCCCCC1)O

STK536176
Synonyms: ethyl(8S,8aR,11aS,11bS)- 9,11- dioxo- 10- phenyl- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 8- carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccccc1

STK838346
Synonyms: methyl({3- cyano- 6- oxo- 4- [4- (propan- 2- yl)phenyl]- 1,4,5,6- tetrahydropyridin- 2- yl}sulfanyl)acetate
Smiles: COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)C(C)C

STK536179
Synonyms: 2,2'- (1,4,10,13- tetraoxa- 7,16- diazacyclooctadecane- 7,16- diyl)bis[N- (9,10- dioxo- 9,10- dihydroanthracen- 1- yl)acetamide]
Smiles: O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)CN1CCOCCOCCN(CCOCCOCC1)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O

STK838349
Synonyms: N- (2- methylphenyl)- N'- [(2Z)- 3- oxo- 1- benzothiophen- 2(3H)- ylidene]acetohydrazide
Smiles: Cc1ccccc1N(C(=O)C)/N=C/1\Sc2c(C1=O)cccc2

STK838355
Synonyms: N,N'- bis(5- propyl- 1,3,4- thiadiazol- 2- yl)pyridine- 2,6- dicarboxamide
Smiles: CCCc1nnc(s1)NC(=O)c1cccc(n1)C(=O)Nc1nnc(s1)CCC

STK536183
Synonyms: methyl3- ({[4- (2- hydroxyethyl)piperazin- 1- yl]acetyl}amino)- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: OCCN1CCN(CC1)CC(=O)Nc1c([nH]c2c1cc(OC)c(c2)OC)C(=O)OC

STK838356
Synonyms: 2- {[3- cyano- 4- (4- ethylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)N)NC(=O)CC1c1ccc(cc1)CC

STK838358
Synonyms: 16- (4- chlorophenyl)- 15- oxadispiro[5.1.5.3]hexadecane- 7,14- dione
Smiles: Clc1ccc(cc1)C1OC(=O)C2(C(=O)C31CCCCC3)CCCCC2

STK838359
Synonyms: 3- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (1,3,4- thiadiazol- 2- yl)propanamide
Smiles: O=C(Nc1nncs1)CCN1C(=O)c2c(C1=O)cccc2

STK838360
Synonyms: 1- (3,4- dichlorophenyl)- 3- [5- fluoro- 4- oxo- 5- (trifluoromethyl)- 4,5- dihydro- 1,3- thiazol- 2- yl]urea
Smiles: O=C(NC1=NC(=O)C(S1)(F)C(F)(F)F)Nc1ccc(c(c1)Cl)Cl

STK536186
Synonyms: (4Z)- 2- (3- bromophenyl)- 4- [(5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 1,3- oxazol- 5(4H)- one
Smiles: Brc1cccc(c1)C1=N/C(=C\c2c(C)nn(c2Cl)c2ccccc2)/C(=O)O1

STK536189
Synonyms: 4,7- bis(5- methyl- 1,2- oxazol- 3- yl)[1,2,5]oxadiazolo[3,4- d]pyridazine1- oxide
Smiles: Cc1onc(c1)c1nnc(c2c1[n+]([O-])on2)c1noc(c1)C

STK536191
Synonyms: 8- [(2E)- 2- benzylidenehydrazinyl]- 7- (2- hydroxyethyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCn1c(N/N=C/c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK838363
Synonyms: 2- hydroxy- 2- phenylpentanamide
Smiles: CCCC(c1ccccc1)(C(=O)N)O

STK536196
Synonyms: (4Z)- 2- (3,5- dichlorophenyl)- 5- methyl- 4- {[5- (1- oxo- 1,3- dihydro- 2- benzofuran- 5- yl)furan- 2- yl]methylidene}- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Clc1cc(Cl)cc(c1)N1N=C(/C(=C/c2ccc(o2)c2ccc3c(c2)COC3=O)/C1=O)C

STK536197
Synonyms: 5- ethyl- 2- {[(2- iodophenyl)carbonyl]amino}thiophene- 3- carboxylicacid
Smiles: CCc1cc(c(s1)NC(=O)c1ccccc1I)C(=O)O

STK536200
Synonyms: 1- [6- chloro- 2- (morpholin- 4- yl)- 8- nitro- 2H- chromen- 3- yl]- 2- methylpropan- 1- one
Smiles: Clc1cc2C=C(C(=O)C(C)C)C(Oc2c(c1)[N+](=O)[O-])N1CCOCC1

STK536202
Synonyms: 1- (4- ethoxyphenyl)- 3- (methylamino)pyrrolidine- 2,5- dione
Smiles: CCOc1ccc(cc1)N1C(=O)CC(C1=O)NC

STK536209
Synonyms: 2- (2,6- dimethoxyphenoxy)- N'- [(E)- (4- hydroxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1OCC(=O)N/N=C/c1ccc(cc1)O)OC

STK536210
Synonyms: 4- {[(E)- (2- bromophenyl)methylidene]amino}- 1,5- dimethyl- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: Brc1ccccc1/C=N/c1c(C)n(n(c1=O)c1ccccc1)C

STK536216
Synonyms: 4- nitro- 2- [(E)- (quinoxalin- 6- ylimino)methyl]phenol
Smiles: Oc1ccc(cc1/C=N/c1ccc2c(c1)nccn2)[N+](=O)[O-]

STK536219
Synonyms: 5- [(2- bromoethyl)amino]- 3- methyl- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: BrCCNc1cc(C)c2c3c1C(=O)c1ccccc1c3on2

STK536221
Synonyms: N- benzyl- 2- (pyridin- 3- yl)quinazolin- 4- amine
Smiles: c1ccc(cc1)CNc1nc(nc2c1cccc2)c1cccnc1

STK536222
Synonyms: 2,2'- [(1,6- dioxohexane- 1,6- diyl)diimino]bis[4- (4- bromophenyl)thiophene- 3- carboxylicacid]
Smiles: O=C(Nc1scc(c1C(=O)O)c1ccc(cc1)Br)CCCCC(=O)Nc1scc(c1C(=O)O)c1ccc(cc1)Br

STK838372
Synonyms: 4- (4- chlorophenoxy)- 2- (pyridin- 4- yl)quinazoline
Smiles: Clc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1

STK536223
Synonyms: 9- methyl- 2- [(2- methylphenoxy)methyl]- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1ccccc1C

STK838376
Synonyms: N'- (3- chlorophenyl)- 2,2- bis(4- chlorophenyl)- 2- hydroxyacetohydrazide
Smiles: Clc1ccc(cc1)C(c1ccc(cc1)Cl)(C(=O)NNc1cccc(c1)Cl)O

STK838377
Synonyms: N- cyclohexyl- 6- nitro- 2- oxo- 1,3- benzoxazole- 3(2H)- carboxamide
Smiles: [O-][N+](=O)c1ccc2c(c1)oc(=O)n2C(=O)NC1CCCCC1

STK838379
Synonyms: benzyl{[3- cyano- 4- (2,4- dichlorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetate
Smiles: N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccc(cc1Cl)Cl

STK536231
Synonyms: 8- bromo- 4- (4- phenylpiperazin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccccc1

STK536234
Synonyms: N'- [1H- indol- 3- yl(oxo)acetyl]- 4- nitrobenzohydrazide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NNC(=O)C(=O)c1c[nH]c2c1cccc2

STK536236
Synonyms: ethyl6a- (4- chlorophenyl)- 5- (4- methylphenyl)- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: CCOC(=O)C1=NNC2(C1C(=O)N(C2=O)c1ccc(cc1)C)c1ccc(cc1)Cl

STK838384
Synonyms: 4- (3- chlorophenyl)- 2- (hexylsulfanyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: CCCCCCSC1=C(C#N)C(CC(=O)N1)c1cccc(c1)Cl

STK536247
Synonyms: N- [2- (diethylamino)ethyl]- 7- hydroxy- 5- oxo- 2,3- dihydro- 1H,5H- pyrido[3,2,1- ij]quinoline- 6- carboxamide
Smiles: CCN(CCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3)CC

STK536249
Synonyms: (2E)- 2- [4- (3- bromophenyl)- 1,3- thiazol- 2- yl]- 3- (1H- indazol- 6- ylamino)prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)[nH]nc2)/c1scc(n1)c1cccc(c1)Br

STK838386
Synonyms: (4Z)- 2- (naphthalen- 1- yl)- 4- (2,3,4- trimethoxybenzylidene)- 1,3- oxazol- 5(4H)- one
Smiles: COc1c(ccc(c1OC)OC)/C=C/1\N=C(OC1=O)c1cccc2c1cccc2

STK838389
Synonyms: N- [2- (1H- indol- 3- yl)ethyl]- 3- oxo- 3H- benzo[f]chromene- 2- carboxamide
Smiles: O=C(c1cc2c(oc1=O)ccc1c2cccc1)NCCc1c[nH]c2c1cccc2

STK536255
Synonyms: 3- butyl- 8- [(E)- (hydroxyimino)(4- methylphenyl)methyl]- 4,9- dimethyl- 2H- furo[2,3- h]chromen- 2- one
Smiles: CCCCc1c(=O)oc2c(c1C)ccc1c2c(C)c(o1)/C(=N/O)/c1ccc(cc1)C

STK536258
Synonyms: 5- (4- bromophenyl)- N- [3- (4- ethoxyphenoxy)- 5- nitrophenyl]- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: CCOc1ccc(cc1)Oc1cc(NC(=O)c2cc3n(n2)c(cc(n3)c2ccc(cc2)Br)C(F)(F)F)cc(c1)[N+](=O)[O-]

STK536261
Synonyms: N- (furan- 2- ylmethyl)- 1- nitro- 9,10- dioxo- 9,10- dihydroanthracene- 2- carboxamide
Smiles: O=C(c1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)NCc1ccco1

STK838393
Synonyms: 3- amino- N- (3,4- dimethylphenyl)- 4- (5- methylfuran- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Cc1ccc(o1)c1c2CCCCc2nc2c1c(N)c(s2)C(=O)Nc1ccc(c(c1)C)C

STK536264
Synonyms: 2- {[(3- methylphenyl)carbonyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylicacid
Smiles: Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)O)CCCC2

STK536265
Synonyms: {2- [3- (trifluoromethyl)phenyl]hydrazinylidene}propanedinitrile
Smiles: N#CC(=NNc1cccc(c1)C(F)(F)F)C#N

STK838395
Synonyms: 5- cyano- 4- (furan- 2- yl)- N- (2- methoxyphenyl)- 2- methyl- 6- {[2- oxo- 2- (1,3- thiazol- 2- ylamino)ethyl]sulfanyl}- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2nccs2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK838396
Synonyms: 3- amino- N- (4- ethoxyphenyl)- 4- (5- methylfuran- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccc(o1)C)c1c(n2)CCCC1

STK838397
Synonyms: 8- (ethylsulfanyl)- 1,3- dimethyl- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCn1c(SCC)nc2c1c(=O)n(c(=O)n2C)C

STK536284
Synonyms: ethylN- (chloroacetyl)- 2- {[4- (3- ethoxy- 1,1,1- trifluoro- 2- hydroxy- 3- oxopropan- 2- yl)phenyl]amino}- 3,3,3- trifluoroalaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1ccc(cc1)C(C(F)(F)F)(C(=O)OCC)O)NC(=O)CCl

STK838405
Synonyms: ({[(E)- morpholin- 4- yl(4- nitrophenyl)methylidene]amino}oxy)(phenyl)methanone
Smiles: O=C(c1ccccc1)O/N=C(\c1ccc(cc1)[N+](=O)[O-])/N1CCOCC1

STK838408
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 4- yl)- 6- (morpholin- 4- yl)- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: Cc1n[nH]c(c1n1c(=O)c2ccc(c3c2c(c1=O)ccc3)N1CCOCC1)C

STK838412
Synonyms: (4Z)- 2- (2- chlorophenyl)- 4- (thiophen- 2- ylmethylidene)- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C\c1cccs1)c1ccccc1Cl

STK838413
Synonyms: 5- (4- bromophenyl)- 3- chloro- N- (4- methoxybenzyl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1nn2c(c1Cl)NC(CC2C(F)(F)F)c1ccc(cc1)Br

STK838415
Synonyms: (2E)- 3- (1,3- benzodioxol- 5- ylamino)- 2- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1scc(n1)c1ccc(cc1)CC

STK536298
Synonyms: 2- chloro- 3- [(2,3- dimethylcyclohexyl)amino]naphthalene- 1,4- dione
Smiles: CC1CCCC(C1C)NC1=C(Cl)C(=O)c2c(C1=O)cccc2

STK536299
Synonyms: ethyl4- (8- methyl- 5H- pyrimido[5,4- b]indol- 4- yl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)C

STK838417
Synonyms: 2,2'- [(2- methoxyphenyl)methanediyl]bis(5- methylfuran)
Smiles: COc1ccccc1C(c1ccc(o1)C)c1ccc(o1)C

STK838420
Synonyms: benzyl{[3- cyano- 4- (4- ethylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetate
Smiles: N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccc(cc1)CC

STK536309
Synonyms: 5- cyano- 2- methyl- 6- [(2- oxo- 2- {[4- (propan- 2- yl)phenyl]amino}ethyl)sulfanyl]- N- phenyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C(C)C)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

STK536311
Synonyms: methyl3- acetyl- 1- (4- nitrophenyl)- 4,5- dihydro- 1H- pyrazole- 4- carboxylate
Smiles: COC(=O)C1CN(N=C1C(=O)C)c1ccc(cc1)[N+](=O)[O-]

STK536312
Synonyms: 2- ethyl- 5,6,7,8- tetrahydro- 4H- [1]benzothieno[2,3- d][1,3]oxazin- 4- one
Smiles: CCc1oc(=O)c2c(n1)sc1c2CCCC1

STK536313
Synonyms: (1R,5S)- 2- [(dibenzylphosphoryl)methyl]- 6,6- dimethylbicyclo[3.1.1]heptan- 3- one
Smiles: O=C1C[C@H]2C[C@@H](C1CP(=O)(Cc1ccccc1)Cc1ccccc1)C2(C)C

STK838423
Synonyms: 4- (4- methylpiperidin- 1- yl)- 2- (pyridin- 3- yl)quinazoline
Smiles: CC1CCN(CC1)c1nc(nc2c1cccc2)c1cccnc1

STK536314
Synonyms: 5- bromo- 6- (4- bromophenyl)- 3- (diphenylamino)- 2- phenyl- 2,3- dihydro- 4H- 1,3- oxazin- 4- one
Smiles: Brc1ccc(cc1)C1=C(Br)C(=O)N(C(O1)c1ccccc1)N(c1ccccc1)c1ccccc1

STK536315
Synonyms: N- (3- oxo- 3- phenylpropyl)glycine
Smiles: O=C(c1ccccc1)CCNCC(=O)O

STK536317
Synonyms: methyl(2Z)- 5- [methyl(phenyl)amino]- 4,5- dioxo- 2- (phenylamino)- 3- (phenylcarbonyl)pent- 2- enoate
Smiles: COC(=O)/C(=C(/C(=O)C(=O)N(c1ccccc1)C)\C(=O)c1ccccc1)/Nc1ccccc1

STK838425
Synonyms: 2- {4- [(2,4- dimethoxyphenyl)amino]quinazolin- 2- yl}phenol
Smiles: COc1cc(OC)ccc1Nc1nc(nc2c1cccc2)c1ccccc1O

STK838426
Synonyms: 2- {[3- cyano- 4- (2- ethoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CCOc1ccccc1C1CC(=O)NC(=C1C#N)SCC(=O)Nc1nccs1

STK536323
Synonyms: 4- amino- 6- methoxy- 1,3,5- triazine- 2- carboxylicacid
Smiles: COc1nc(N)nc(n1)C(=O)O

STK536325
Synonyms: 2,4- dihydroxy- N'- [(E)- (2- hydroxy- 6,7,8,9- tetrahydrodibenzo[b,d]furan- 1- yl)methylidene]benzohydrazide
Smiles: Oc1ccc(c(c1)O)C(=O)N/N=C/c1c(O)ccc2c1c1CCCCc1o2

STK536327
Synonyms: methyl2- {[(E)- (3- ethoxy- 2- hydroxy- 5- nitrophenyl)methylidene]amino}- 6- methyl- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxylate
Smiles: CCOc1cc(cc(c1O)/C=N/c1sc2c(c1C(=O)OC)CCN(C2)C)[N+](=O)[O-]

STK536328
Synonyms: ethyl4- (8- bromo- 5H- pyrimido[5,4- b]indol- 4- yl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)Br

STK536334
Synonyms: 5- cyano- 6- ({2- [(4- ethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N- (2- methylphenyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)CC)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK838431
Synonyms: 2- (benzylsulfanyl)- 4- (3- bromo- 4- hydroxy- 5- methoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)NC(=O)CC1c1cc(Br)c(c(c1)OC)O

STK838432
Synonyms: 2,2- bis(4- ethylphenyl)- 2- hydroxy- N'- [(1E)- 1- phenylbutylidene]acetohydrazide
Smiles: CCC/C(=N\NC(=O)C(c1ccc(cc1)CC)(c1ccc(cc1)CC)O)/c1ccccc1

STK536337
Synonyms: 2- bromo- 4- nitro- 6- [(E)- (quinolin- 6- ylimino)methyl]phenol
Smiles: Brc1cc(cc(c1O)/C=N/c1ccc2c(c1)cccn2)[N+](=O)[O-]

STK536340
Synonyms: 4- (4- chlorophenyl)- 2- (4- methylpiperidin- 1- yl)- 6- (trifluoromethyl)pyrimidine
Smiles: CC1CCN(CC1)c1nc(cc(n1)c1ccc(cc1)Cl)C(F)(F)F

STK536344
Synonyms: 2- {[4- (2- chlorophenyl)- 3- cyano- 6- hydroxy- 5- (thiophen- 2- ylcarbonyl)- 6- (trifluoromethyl)- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(C(N1)(O)C(F)(F)F)C(=O)c1cccs1)c1ccccc1Cl

STK838437
Synonyms: 3- bromo- N- [3- (1H- imidazol- 1- yl)propyl]- 5- (thiophen- 2- yl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(c1Br)nc(cc2C(F)(F)F)c1cccs1)NCCCn1cncc1

STK536349
Synonyms: N- (biphenyl- 4- yl)- 1- methyl- 4- nitro- 1H- pyrazole- 3- carboxamide
Smiles: Cn1nc(c(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)c1ccccc1

STK536350
Synonyms: 4,4'- dinitro- 3,3'- bi- 1,2,5- oxadiazole
Smiles: [O-][N+](=O)c1nonc1c1nonc1[N+](=O)[O-]

STK838442
Synonyms: 1,1'- [methanediylbis(2- chlorobenzene- 4,1- diyl)]bis(1H- pyrrole- 2,5- dione)
Smiles: O=C1C=CC(=O)N1c1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N1C(=O)C=CC1=O

STK838443
Synonyms: 2- (4- nitrophenyl)- 2- oxoethylN- (thiophen- 2- ylcarbonyl)glycinate
Smiles: O=C(CNC(=O)c1cccs1)OCC(=O)c1ccc(cc1)[N+](=O)[O-]

STK838444
Synonyms: N'- (3- methyl- 4- nitro- 1H- pyrazol- 5- yl)benzohydrazide
Smiles: O=C(c1ccccc1)NNc1[nH]nc(c1[N+](=O)[O-])C

STK536357
Synonyms: (4S,5R)- 3- cyano- 6- oxo- 4- phenyl- 5- [4- (pyridin- 4- yl)pyridinium- 1- yl]- 1,4,5,6- tetrahydropyridin- 2- olate
Smiles: N#CC1=C([O-])NC(=O)[C@@H]([C@H]1c1ccccc1)[n+]1ccc(cc1)c1ccncc1

STK838445
Synonyms: (3E)- 3- {[(4- ethoxyphenyl)amino](phenyl)methylidene}- 1- (morpholin- 4- yl)- 4- phenylbutane- 1,2,4- trione
Smiles: CCOc1ccc(cc1)N/C(=C(\C(=O)c1ccccc1)/C(=O)C(=O)N1CCOCC1)/c1ccccc1

STK838446
Synonyms: N- (benzylcarbamoyl)pyridine- 4- carboxamide
Smiles: O=C(NC(=O)c1ccncc1)NCc1ccccc1

STK536363
Synonyms: 2- butyl- N'- [(1E)- 1- (4- ethoxyphenyl)ethylidene]- 2- hydroxyhexanehydrazide
Smiles: CCCCC(C(=O)N/N=C(/c1ccc(cc1)OCC)\C)(CCCC)O

STK536365
Synonyms: 2- (3,4- dihydroisoquinolin- 2(1H)- yl)- 1- (1H- indol- 3- yl)propan- 1- one
Smiles: CC(C(=O)c1c[nH]c2c1cccc2)N1CCc2c(C1)cccc2

STK838451
Synonyms: 2- [5- (2- nitrophenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: Oc1ccccc1c1n[nH]c(c1)c1ccccc1[N+](=O)[O-]

STK838452
Synonyms: 4- {[2- (2- hydroxyphenyl)- 6- methylpyrimidin- 4- yl]oxy}benzonitrile
Smiles: N#Cc1ccc(cc1)Oc1cc(C)nc(n1)c1ccccc1O

STK838453
Synonyms: methyl{[1,3- dimethyl- 2,6- dioxo- 7- (prop- 2- en- 1- yl)- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}acetate
Smiles: C=CCn1c(SCC(=O)OC)nc2c1c(=O)n(c(=O)n2C)C

STK536373
Synonyms: 5- phenyl- 2- [(2E)- 2- (thiophen- 2- ylmethylidene)hydrazinyl]- 6H- 1,3,4- thiadiazine
Smiles: c1ccc(cc1)C1=NN=C(SC1)N/N=C/c1cccs1

STK838457
Synonyms: propan- 2- yl6- amino- 5- cyano- 4- (4- ethoxyphenyl)- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: CCOc1ccc(cc1)C1C(=C(C)OC(=C1C#N)N)C(=O)OC(C)C

STK838461
Synonyms: 6- methyl- 2- (morpholin- 4- yl)- N- phenylpyrimidin- 4- amine
Smiles: Cc1cc(Nc2ccccc2)nc(n1)N1CCOCC1

STK536383
Synonyms: ethylN- [5- (3- ethoxy- 1,1,1- trifluoro- 2- hydroxy- 3- oxopropan- 2- yl)- 2- methoxyphenyl]- 3,3,3- trifluoro- 2- (propanoylamino)alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1cc(ccc1OC)C(C(F)(F)F)(C(=O)OCC)O)NC(=O)CC

STK536386
Synonyms: N'- [(E)- (2- hydroxy- 6,7,8,9- tetrahydrodibenzo[b,d]furan- 1- yl)methylidene]furan- 2- carbohydrazide
Smiles: Oc1ccc2c(c1/C=N/NC(=O)c1ccco1)c1CCCCc1o2

STK536395
Synonyms: N- cyclohexyl- 2- thioxo- 1,3- benzoxazole- 3(2H)- carboxamide
Smiles: O=C(n1c(=S)oc2c1cccc2)NC1CCCCC1

STK838469
Synonyms: 3- amino- N- (4- ethylphenyl)- 4- [4- (propan- 2- yl)phenyl]- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: CCc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccc(cc1)C(C)C)c1c(n2)CCCC1

STK838472
Synonyms: 5- cyano- 6- ({2- [(3- fluorophenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N- (2- methylphenyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)F)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK838473
Synonyms: 5- cyano- 6- ({2- [(2,4- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N- phenyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

STK536406
Synonyms: morpholin- 4- yl[2- (piperidin- 1- yl)quinolin- 4- yl]methanone
Smiles: O=C(c1cc(nc2c1cccc2)N1CCCCC1)N1CCOCC1

STK838476
Synonyms: 2- hydroxy- 4- methyl- 2- (2- methylpropyl)- N'- phenylpentanehydrazide
Smiles: CC(CC(C(=O)NNc1ccccc1)(CC(C)C)O)C

STK838477
Synonyms: 2- [(4- oxo- 3,5- diphenyl- 3,4- dihydrothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetohydrazide
Smiles: NNC(=O)CSc1nc2scc(c2c(=O)n1c1ccccc1)c1ccccc1

STK536419
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[4- (2- chlorophenyl)- 3- cyano- 6- hydroxy- 5- (thiophen- 2- ylcarbonyl)- 6- (trifluoromethyl)- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC(C(C1c1ccccc1Cl)C(=O)c1cccs1)(O)C(F)(F)F

STK536422
Synonyms: 1- {(E)- [(4- methylpyridin- 2- yl)imino]methyl}- 6,7,8,9- tetrahydrodibenzo[b,d]furan- 2- ol
Smiles: Cc1ccnc(c1)/N=C/c1c(O)ccc2c1c1CCCCc1o2

STK536423
Synonyms: 6- ({2- [(5- chloro- 2- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (furan- 2- yl)- N- (2- methoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2OC)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK536427
Synonyms: 3- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (5- propyl- 1,3,4- thiadiazol- 2- yl)propanamide
Smiles: CCCc1nnc(s1)NC(=O)CCN1C(=O)c2c(C1=O)cccc2

STK838482
Synonyms: ethyl5- (4- bromophenyl)- 3- chloro- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxylate
Smiles: CCOC(=O)c1nn2c(c1Cl)nc(cc2C(F)(F)F)c1ccc(cc1)Br

STK536435
Synonyms: (4Z)- 2- (2- chloro- 5- iodophenyl)- 4- (3- methoxy- 4- propoxybenzylidene)- 1,3- oxazol- 5(4H)- one
Smiles: CCCOc1ccc(cc1OC)/C=C/1\N=C(OC1=O)c1cc(I)ccc1Cl

STK536438
Synonyms: 4- amino- N- (4- chlorophenyl)- N'- hydroxy- 1,2,5- oxadiazole- 3- carboximidamide
Smiles: O/N=C(/c1nonc1N)\Nc1ccc(cc1)Cl

STK536442
Synonyms: (2Z)- 4- (4- methoxyphenyl)- 4- oxo- 2- {[3- (trifluoromethyl)phenyl]amino}but- 2- enoicacid
Smiles: COc1ccc(cc1)C(=O)/C=C(/C(=O)O)\Nc1cccc(c1)C(F)(F)F

STK536444
Synonyms: 2,4- dibromo- 6- [(E)- (quinolin- 6- ylimino)methyl]phenol
Smiles: Brc1cc(/C=N/c2ccc3c(c2)cccn3)c(c(c1)Br)O

STK838487
Synonyms: 7- benzyl- 8- (ethylsulfanyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C

STK838489
Synonyms: (2Z)- 2- hydroxy- N- (4- methoxyphenyl)- 4- (4- methylphenyl)- 4- oxobut- 2- enamide
Smiles: COc1ccc(cc1)NC(=O)/C(=C/C(=O)c1ccc(cc1)C)/O

STK536447
Synonyms: methyl2- ({[3- chloro- 5- phenyl- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 2- yl]carbonyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1nn2c(c1Cl)nc(cc2C(F)(F)F)c1ccccc1

STK536448
Synonyms: 3,6- diamino- 5- cyano- N- (3,4- dichlorophenyl)- 4- [4- (propan- 2- yl)phenyl]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1c(N)nc2c(c1c1ccc(cc1)C(C)C)c(N)c(s2)C(=O)Nc1ccc(c(c1)Cl)Cl

STK838496
Synonyms: 5- cyano- 6- ({2- [(4- ethoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N,4- diphenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccccc1

STK536452
Synonyms: 3- (1- methyl- 1H- indol- 3- yl)- 2- nitro- 1,3- diphenylpropan- 1- one
Smiles: Cn1cc(c2c1cccc2)C(C(C(=O)c1ccccc1)[N+](=O)[O-])c1ccccc1

STK838498
Synonyms: methyl3- methyl- 1- phenyl- 1H- thieno[2,3- c]pyrazole- 5- carboxylate
Smiles: COC(=O)c1cc2c(s1)n(nc2C)c1ccccc1

STK536453
Synonyms: 5- amino- 7- oxo- 3- phenyl- 4- propyl- 6- azabicyclo[3.2.1]octane- 1,2,2- tricarbonitrile
Smiles: CCCC1C(c2ccccc2)C(C#N)(C#N)C2(CC1(N)NC2=O)C#N

STK536457
Synonyms: N,N,N',N'- tetramethyltetrahydrothiophene- 3,4- diamine1,1- dioxide
Smiles: CN(C1CS(=O)(=O)CC1N(C)C)C

STK536459
Synonyms: 4- (4- methoxyphenoxy)- 2- (pyridin- 3- yl)quinazoline
Smiles: COc1ccc(cc1)Oc1nc(nc2c1cccc2)c1cccnc1

STK536460
Synonyms: N- [(1Z)- 3- (2- chlorophenyl)- 2- cyano- 1- ({2- [(4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- oxo- 5- phenylpent- 1- en- 1- yl]benzamide
Smiles: N#C/C(=C(/NC(=O)c1ccccc1)\SCC(=O)Nc1ccc(cc1)C)/C(c1ccccc1Cl)CC(=O)c1ccccc1

STK536461
Synonyms: (2E)- 2- [(2- ammoniophenyl)amino]- 4- oxo- 4- phenylbut- 2- enoate
Smiles: [O-]C(=O)/C(=C\C(=O)c1ccccc1)/Nc1ccccc1[NH3+]

STK536462
Synonyms: propan- 2- yl3- bromo- 5- (5- bromofuran- 2- yl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxylate
Smiles: CC(OC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccc(o1)Br)C

STK838507
Synonyms: 2- (2- chlorophenyl)- 5- (4- methoxyphenyl)- 4H- thieno[2,3- d][1,3]oxazin- 4- one
Smiles: COc1ccc(cc1)c1csc2c1c(=O)oc(n2)c1ccccc1Cl

STK536474
Synonyms: ethyl1- [1- (1H- indol- 3- yl)- 1- oxopropan- 2- yl]piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(C(=O)c1c[nH]c2c1cccc2)C

STK536476
Synonyms: 2- {[4- (2- chlorophenyl)- 3- cyano- 6- hydroxy- 5- (thiophen- 2- ylcarbonyl)- 6- (trifluoromethyl)- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(C(C1c1ccccc1Cl)C(=O)c1cccs1)(O)C(F)(F)F

STK536477
Synonyms: 6- (3- methoxyphenyl)diindeno[1,2- b:2',1'- e]pyridine- 5,7- dione
Smiles: COc1cccc(c1)c1c2c(=O)c3c(c2nc2c1c(=O)c1c2cccc1)cccc3

STK838511
Synonyms: ethyl[(2Z)- 2- (1- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)hydrazinyl](oxo)acetate
Smiles: CCOC(=O)C(=O)N/N=C\1/c2ccccc2N(C1=O)C

STK838512
Synonyms: 1,3- dimethyl- 8- [(3- methylbutyl)sulfanyl]- 7- (2- methylprop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(=C)Cn1c(SCCC(C)C)nc2c1c(=O)n(c(=O)n2C)C

STK536482
Synonyms: 6- ({2- [(4- butoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- N- (2- methylphenyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCCCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1C)c1cccs1

STK838514
Synonyms: ethyl(2Z)- 3- [(3,4- difluorophenyl)amino]- 2- nitroprop- 2- enoate
Smiles: CCOC(=O)/C(=C/Nc1ccc(c(c1)F)F)/[N+](=O)[O-]

STK536483
Synonyms: 4- [4- (diphenylmethyl)piperazin- 1- yl]- 8- fluoro- 5H- pyrimido[5,4- b]indole
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK536484
Synonyms: 2- (morpholin- 4- yl)- N- phenylquinoline- 4- carboxamide
Smiles: O=C(c1cc(nc2c1cccc2)N1CCOCC1)Nc1ccccc1

STK838518
Synonyms: 7- benzyl- 1,3- dimethyl- 8- (methylamino)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CNc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C

STK838520
Synonyms: 5- cyano- 2- methyl- 6- {[2- oxo- 2- (1,3- thiazol- 2- ylamino)ethyl]sulfanyl}- N- phenyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2nccs2)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

STK536492
Synonyms: (3Z)- 3- (2- imino- 3- methyl- 5- oxoimidazolidin- 4- ylidene)- 5- nitro- 1,3- dihydro- 2H- indol- 2- one
Smiles: N=C1NC(=O)/C(=C\2/C(=O)Nc3c2cc(cc3)[N+](=O)[O-])/N1C

STK536498
Synonyms: (2Z)- 2- [(16E)- 16- (2- carbamoylhydrazinylidene)docosan- 7- ylidene]hydrazinecarboxamide
Smiles: CCCCCC/C(=N/NC(=O)N)/CCCCCCCC/C(=N/NC(=O)N)/CCCCCC

STK536508
Synonyms: 8- bromo- 4- [4- (2- methoxyphenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccccc1N1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)Br

STK838522
Synonyms: ethyl{[3- cyano- 4- (4- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)C

STK838523
Synonyms: ethyl2- {[(3- nitro- 1H- 1,2,4- triazol- 1- yl)acetyl]amino}- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cn2cnc(n2)[N+](=O)[O-])sc2c1CCC2

STK536510
Synonyms: 4- chloro- N- {2- [(4,6- dimethoxypyrimidin- 2- yl)amino]- 1,1,1,3,3,3- hexafluoropropan- 2- yl}benzamide
Smiles: COc1cc(OC)nc(n1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccc(cc1)Cl

STK536511
Synonyms: 2- {[6- methyl- 2- (morpholin- 4- yl)- 5- nitropyrimidin- 4- yl]oxy}- 1H- isoindole- 1,3(2H)- dione
Smiles: [O-][N+](=O)c1c(nc(nc1C)N1CCOCC1)ON1C(=O)c2c(C1=O)cccc2

STK838526
Synonyms: (2E)- 2- [4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]- 3- [2- (trifluoromethyl)phenyl]prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccccc1C(F)(F)F)/c1scc(n1)c1ccc(cc1)F

STK536514
Synonyms: (4E,5Z)- N,N'- dihydroxy- 3- (4- methyl- 1,2,5- oxadiazol- 3- yl)- 1H- pyrazole- 4,5- diimine
Smiles: O/N=C\1/C(=N/O)/NN=C1c1nonc1C

STK838533
Synonyms: N'- [1H- indol- 1- yl(oxo)acetyl]- N- (3- methylphenyl)furan- 2- carbohydrazide
Smiles: Cc1cccc(c1)N(C(=O)c1ccco1)NC(=O)C(=O)n1ccc2c1cccc2

STK838535
Synonyms: 1- (morpholin- 4- yl)cyclohexanecarbonitrile
Smiles: N#CC1(CCCCC1)N1CCOCC1

STK838537
Synonyms: 3- [(7- chloro- 4- nitro- 2,1,3- benzoxadiazol- 5- yl)amino]phenol
Smiles: Oc1cccc(c1)Nc1cc(Cl)c2c(c1[N+](=O)[O-])non2

STK838538
Synonyms: methyl2- ({[3- chloro- 5- (thiophen- 2- yl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 2- yl]carbonyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1nn2c(c1Cl)nc(cc2C(F)(F)F)c1cccs1

STK536524
Synonyms: Nalpha- (ethoxycarbonyl)- N- (4- fluorophenyl)- D- tryptophanamide
Smiles: CCOC(=O)N[C@@H](C(=O)Nc1ccc(cc1)F)Cc1c[nH]c2c1cccc2

STK536525
Synonyms: 1,3- dimethyl- 5- (nitroimino)hexahydroimidazo[4,5- d]imidazol- 2(1H)- one
Smiles: [O-][N+](=O)/N=C/1\NC2C(N1)N(C(=O)N2C)C

STK838540
Synonyms: 5- nitro- N,N- diphenylfuran- 2- carboxamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)c1ccc(o1)[N+](=O)[O-]

STK838542
Synonyms: 7- [(2E)- but- 2- en- 1- yl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C/C=C/Cn1cnc2c1c(=O)n(C)c(=O)n2C

STK536534
Synonyms: 2- [4- (4- chlorophenyl)- 3H- 1,5- benzodiazepin- 2- yl]- 5- methylphenol
Smiles: Clc1ccc(cc1)C1=Nc2ccccc2N=C(C1)c1ccc(cc1O)C

STK536540
Synonyms: (8S,8aR)- 6- amino- 8- (4- chloro- 2- nitrophenyl)- 2- propyl- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1ccc(cc1[N+](=O)[O-])Cl)C(C(=C2C#N)N)(C#N)C#N

STK838543
Synonyms: 1- [5- (4- methoxyphenyl)- 3- (5- methylfuran- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]ethanone
Smiles: COc1ccc(cc1)C1CC(=NN1C(=O)C)c1ccc(o1)C

STK536546
Synonyms: N- tert- butyl- 6- methyl- 2- phenylquinoline- 4- carboxamide
Smiles: Cc1ccc2c(c1)c(cc(n2)c1ccccc1)C(=O)NC(C)(C)C

STK536550
Synonyms: 5- (3- fluorobenzylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(=Cc2cccc(c2)F)C(=O)N1

STK536553
Synonyms: 2- {[(E)- 2- cyano- 2- (4- phenyl- 1,3- thiazol- 2- yl)ethenyl]amino}benzamide
Smiles: N#C/C(=C\Nc1ccccc1C(=O)N)/c1scc(n1)c1ccccc1

STK838554
Synonyms: 3- acetyl- 2- methylnaphtho[1,2- b]furan- 5- yl4- methylbenzoate
Smiles: Cc1ccc(cc1)C(=O)Oc1cc2c(C(=O)C)c(oc2c2c1cccc2)C

STK838555
Synonyms: 2- [2- (acetylamino)phenyl]- N- butyl- 2- oxoacetamide
Smiles: CCCCNC(=O)C(=O)c1ccccc1NC(=O)C

STK536564
Synonyms: 2,6- di- tert- butyl- 4- (3- phenylprop- 2- yn- 1- yl)phenol
Smiles: CC(c1cc(CC#Cc2ccccc2)cc(c1O)C(C)(C)C)(C)C

STK536582
Synonyms: 2- (2,6- dimethoxyphenoxy)- N'- [(E)- (2- hydroxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1OCC(=O)N/N=C/c1ccccc1O)OC

STK838565
Synonyms: 4- methyl- 2- (4- phenyl- 3H- 1,5- benzodiazepin- 2- yl)phenol
Smiles: Cc1ccc(c(c1)C1=Nc2ccccc2N=C(C1)c1ccccc1)O

STK838568
Synonyms: 2,3- di(furan- 2- yl)- 6- methoxyquinoxaline
Smiles: COc1ccc2c(c1)nc(c(n2)c1ccco1)c1ccco1

STK526385
Synonyms: (2Z)- 2- (furan- 2- ylmethylidene)cyclopentanone
Smiles: O=C1CCC/C/1=C/c1ccco1

STK834103
Synonyms: N- (3,5- dimethyl- 1H- pyrazol- 4- yl)formamide
Smiles: O=CNc1c(C)n[nH]c1C

STK834316
Synonyms: 4- (piperidin- 1- yl)[1,2,4]triazolo[4,3- a]quinoxaline
Smiles: C1CCN(CC1)c1nc2ccccc2n2c1nnc2

STK529246
Synonyms: 6- bromo- 5- methyl- 1H- imidazo[4,5- b]pyridine- 2- thiol
Smiles: Brc1cc2[nH]c(nc2nc1C)S

STK529378
Synonyms: 2- [(dimethylamino)methyl]pyridin- 3- ol
Smiles: CN(Cc1ncccc1O)C

STK529821
Synonyms: N- (3,5- dimethyl- 4H- 1,2,4- triazol- 4- yl)propanamide
Smiles: CCC(=O)Nn1c(C)nnc1C

STK530493
Synonyms: 3,4,5- trichloropyridine- 2- carboxylicacid
Smiles: OC(=O)c1ncc(c(c1Cl)Cl)Cl

STK530885
Synonyms: 2- imino- 1- methylimidazolidin- 4- one
Smiles: O=C1NC(=N)N(C1)C

STK530988
Synonyms: 4- tert- butylcyclohexanone
Smiles: CC(C1CCC(=O)CC1)(C)C

STK836358
Synonyms: 7,9- dimethylpyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4(3H)- one
Smiles: Cc1cc(C)c2c(n1)sc1c2nc[nH]c1=O

STK837899
Synonyms: 3,3'- (E)- diazene- 1,2- diylbis(4- methyl- 1,2,5- oxadiazole)
Smiles: Cc1nonc1/N=N/c1nonc1C

STK838569
Synonyms: 2- {[3- cyano- 4- (2- ethoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (4- phenoxyphenyl)acetamide
Smiles: CCOc1ccccc1C1CC(=O)NC(=C1C#N)SCC(=O)Nc1ccc(cc1)Oc1ccccc1

STK536591
Synonyms: N- {4- chloro- 2- [(3,4,5- trimethoxyphenyl)carbonyl]phenyl}- 4,6- dimethyl- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: COc1c(OC)cc(cc1OC)C(=O)c1cc(Cl)ccc1NC(=O)c1c(C)cc(=O)oc1C

STK536594
Synonyms: methyl3- [1- (furan- 2- yl)- 2- nitroethyl]- 2- oxo- 4- phenylpyrrolidine- 3- carboxylate
Smiles: COC(=O)C1(C(=O)NCC1c1ccccc1)C(c1ccco1)C[N+](=O)[O-]

STK838571
Synonyms: 2- [4- bromo- 5- methyl- 3- (trifluoromethyl)- 1H- pyrazol- 1- yl]- 1- (3,4- dihydroisoquinolin- 2(1H)- yl)ethanone
Smiles: O=C(N1CCc2c(C1)cccc2)Cn1nc(c(c1C)Br)C(F)(F)F

STK838573
Synonyms: 6- (4- bromophenyl)- 3,5,5- trimethyldihydro- 2H- pyran- 2,4(3H)- dione
Smiles: Brc1ccc(cc1)C1OC(=O)C(C(=O)C1(C)C)C

STK838575
Synonyms: 8- bromo- 1,3- dimethyl- 7- (3- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1cccc(c1)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C

STK838576
Synonyms: 2- (4- chloro- 5- methyl- 3- nitro- 1H- pyrazol- 1- yl)- N- (3- cyano- 5,6,7,8- tetrahydro- 4H- cyclohepta[b]thiophen- 2- yl)acetamide
Smiles: N#Cc1c(NC(=O)Cn2nc(c(c2C)Cl)[N+](=O)[O-])sc2c1CCCCC2

STK536615
Synonyms: methylN- [2- (4- propoxyphenyl)quinazolin- 4- yl]glycinate
Smiles: CCCOc1ccc(cc1)c1nc(NCC(=O)OC)c2c(n1)cccc2

STK536623
Synonyms: 2- [4- (4- fluorophenyl)piperazin- 1- yl]- 1- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: Fc1ccc(cc1)N1CCN(CC1)CC(=O)N1CCc2c(C1)c1ccccc1[nH]2

STK838588
Synonyms: 6- ({2- [(3- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (furan- 2- yl)- 2- methyl- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Cl)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C

STK536627
Synonyms: 6- ({2- [(3- bromophenyl)amino]- 2- oxoethyl}sulfanyl)- N- (4- chlorophenyl)- 5- cyano- 2- methyl- 4- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Br)NC(=C(C1c1ccccc1)C(=O)Nc1ccc(cc1)Cl)C

STK838589
Synonyms: 2- {4- [(4- bromophenyl)amino]quinazolin- 2- yl}phenol
Smiles: Brc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccc1O

STK838593
Synonyms: 3- [(3,3- dimethylpiperidin- 1- yl)carbonyl]- 7,7- dimethyl- 1- phenyl- 7,8- dihydroquinoline- 2,5(1H,6H)- dione
Smiles: O=C1CC(C)(C)Cc2c1cc(C(=O)N1CCCC(C1)(C)C)c(=O)n2c1ccccc1

STK536634
Synonyms: N- {2- [bis(5- methylfuran- 2- yl)methyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccccc1C(c1ccc(o1)C)c1ccc(o1)C

STK536636
Synonyms: ethyl(6aR,6bS,9aR,10S)- 7,9- dioxo- 8- phenyl- 6b,7,8,9,9a,10- hexahydro- 6aH- benzo[f]pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccc3c(c1C=C2)cccc3)c1ccccc1

STK536637
Synonyms: 2- ({(E)- 2- cyano- 2- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzamide
Smiles: N#C/C(=C\Nc1ccccc1C(=O)N)/c1scc(n1)c1ccc(cc1C)C

STK838599
Synonyms: 2- benzyl- 5- (4- methylphenyl)- 4H- thieno[2,3- d][1,3]oxazin- 4- one
Smiles: Cc1ccc(cc1)c1csc2c1c(=O)oc(n2)Cc1ccccc1

STK536638
Synonyms: 2- ({[(2- chlorophenyl)sulfonyl]carbamoyl}amino)- N,N- dimethyl- 4- (2- oxopyrrolidin- 1- yl)benzenesulfonamide
Smiles: O=C(NS(=O)(=O)c1ccccc1Cl)Nc1cc(ccc1S(=O)(=O)N(C)C)N1CCCC1=O

STK838601
Synonyms: 5,7- dimethyl- N'- [(1E)- 1- phenylethylidene][1,2,4]triazolo[1,5- a]pyrimidine- 2- carbohydrazide
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)N/N=C(/c1ccccc1)\C

STK838605
Synonyms: N- (4- methoxyphenyl)- 4- methylquinolin- 2- amine
Smiles: COc1ccc(cc1)Nc1cc(C)c2c(n1)cccc2

STK536652
Synonyms: 5- cyano- 6- ({2- [(2,4- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- N- (2- methoxyphenyl)- 2- methyl- 4- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1OC)C

STK536653
Synonyms: 2- (2,6- dimethoxyphenoxy)- N'- [(E)- (3,4- dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)COc2c(OC)cccc2OC)ccc1OC

STK838608
Synonyms: butyl{[3- cyano- 4- (2,4- dichlorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetate
Smiles: CCCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1Cl)Cl

STK838610
Synonyms: N- butyl- 2- (5- methyl- 3,4- dinitro- 1H- pyrazol- 1- yl)acetamide
Smiles: CCCCNC(=O)Cn1nc(c(c1C)[N+](=O)[O-])[N+](=O)[O-]

STK536663
Synonyms: 2- (diethylamino)- 6- phenylpyrimidine- 4- carbonitrile
Smiles: CCN(c1nc(C#N)cc(n1)c1ccccc1)CC

STK536665
Synonyms: 3- chloro- 5- (phenylamino)- 4H- 1,2,6- thiadiazin- 4- one
Smiles: O=c1c(nsnc1Cl)Nc1ccccc1

STK536668
Synonyms: (Z)- 2- (1- benzyl- 1H- benzimidazol- 2- yl)- 1- (4- methylphenyl)ethenyl4- methylbenzoate
Smiles: Cc1ccc(cc1)/C(=C/c1nc2c(n1Cc1ccccc1)cccc2)/OC(=O)c1ccc(cc1)C

STK536669
Synonyms: 5- (4- chlorophenyl)- 7- methylpyrazolo[1,5- a]pyrimidine- 2- carboxylicacid
Smiles: Clc1ccc(cc1)c1cc(C)n2c(n1)cc(n2)C(=O)O

STK536670
Synonyms: 2- {[(4- tert- butylphenyl)carbonyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylicacid
Smiles: O=C(c1ccc(cc1)C(C)(C)C)Nc1sc2c(c1C(=O)O)CCCC2

STK838615
Synonyms: ethyl[1,2- bis(2- methylphenyl)hydrazinyl](oxo)acetate
Smiles: CCOC(=O)C(=O)N(c1ccccc1C)Nc1ccccc1C

STK838616
Synonyms: methyl{[3- cyano- 4- (4- hydroxy- 3- methoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(c(c1)OC)O

STK536671
Synonyms: 4- bromo- 2- {(E)- [(6- ethoxy- 1,3- benzothiazol- 2- yl)imino]methyl}- 6- nitrophenol
Smiles: CCOc1ccc2c(c1)sc(n2)/N=C/c1cc(Br)cc(c1O)[N+](=O)[O-]

STK536675
Synonyms: 3- tert- butyl- 5- [2- ethoxy- 5- (morpholin- 4- ylsulfonyl)phenyl]- 1- methyl- 1,6- dihydro- 7H- pyrazolo[4,3- d]pyrimidin- 7- one
Smiles: CCOc1ccc(cc1c1nc2c(c(=O)[nH]1)n(nc2C(C)(C)C)C)S(=O)(=O)N1CCOCC1

STK536681
Synonyms: 4- (4- methylpiperazin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: CN1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1

STK838624
Synonyms: 3- bromo- N- [3- (1H- imidazol- 1- yl)propyl]- 5- phenyl- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccccc1)NCCCn1cncc1

STK536700
Synonyms: 3,4,5- trihydroxy- N'- {(E)- [2- (trifluoromethyl)phenyl]methylidene}benzohydrazide
Smiles: O=C(c1cc(O)c(c(c1)O)O)N/N=C/c1ccccc1C(F)(F)F

STK536703
Synonyms: [5- hydroxy- 2- methyl- 1- (2- methylphenyl)- 1H- indol- 3- yl](phenyl)methanone
Smiles: Oc1ccc2c(c1)c(C(=O)c1ccccc1)c(n2c1ccccc1C)C

STK838634
Synonyms: (2E)- 2- (acetylamino)- 3- (4- ethoxyphenyl)- N- [2- (1H- indol- 3- yl)ethyl]prop- 2- enamide
Smiles: CCOc1ccc(cc1)/C=C(\C(=O)NCCc1c[nH]c2c1cccc2)/NC(=O)C

STK536711
Synonyms: 4- methyl- N'- [(Z)- (3- oxo- 1- benzothiophen- 2(3H)- ylidene)methyl]benzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)NN/C=C/1\Sc2c(C1=O)cccc2

STK536716
Synonyms: 5- cyano- 6- ({2- [(4- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N- phenyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)OC)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

STK838637
Synonyms: ethyl(2Z)- 2- cyano- 3- [5- (2- methoxyphenyl)furan- 2- yl]prop- 2- enoate
Smiles: CCOC(=O)/C(=C\c1ccc(o1)c1ccccc1OC)/C#N

STK838638
Synonyms: 1- [4- (4- oxo- 6,7- dihydro- 4H,5H- cyclopenta[4,5]thieno[2,3- d][1,3]oxazin- 2- yl)phenyl]pyrrolidine- 2,5- dione
Smiles: O=C1CCC(=O)N1c1ccc(cc1)c1oc(=O)c2c(n1)sc1c2CCC1

STK536722
Synonyms: 1- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)- 2- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}propan- 1- one
Smiles: COc1ccc2c(c1)c(C(=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)C)c(n2C)C

STK536723
Synonyms: (1E)- N- hydroxy- 2,2a,7,7a- tetrahydro- 1H- cyclobuta[a]inden- 1- imine
Smiles: O/N=C/1\CC2C1Cc1c2cccc1

STK536724
Synonyms: N'~1~,N'~4~- bis[(2Z)- 2- hydroxy- 4- (4- methoxyphenyl)- 4- oxobut- 2- enoyl]benzene- 1,4- dicarbohydrazide
Smiles: COc1ccc(cc1)C(=O)/C=C(/C(=O)NNC(=O)c1ccc(cc1)C(=O)NNC(=O)/C(=C/C(=O)c1ccc(cc1)OC)/O)\O

STK536725
Synonyms: ethyl2- [(chloroacetyl)amino]- N- (3- cyano- 4- ethyl- 5- methylthiophen- 2- yl)- 3,3,3- trifluoroalaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)CCl

STK536727
Synonyms: N- (4- chlorophenyl)- 5- cyano- 6- ({2- [(2,4- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC(=C(C1c1ccco1)C(=O)Nc1ccc(cc1)Cl)C

STK838644
Synonyms: ethyl5- (4- chlorophenyl)- 2- methyl- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1c(C)nn2c1NC(CC2C(F)(F)F)c1ccc(cc1)Cl

STK838645
Synonyms: 4,5,6- trimethyl- 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)c2cccs2)nc(c(c1C)C)C

STK536731
Synonyms: 2- (1,4- dioxa- 8- azaspiro[4.5]dec- 8- yl)- 1- (1H- indol- 3- yl)propan- 1- one
Smiles: CC(C(=O)c1c[nH]c2c1cccc2)N1CCC2(CC1)OCCO2

STK536735
Synonyms: 2- hydroxyethyl2- amino- 3- cyano- 6- methylpyridine- 4- carboxylate
Smiles: OCCOC(=O)c1cc(C)nc(c1C#N)N

STK536739
Synonyms: 2- (3,4- dihydroxyphenyl)- 7- methyl- 2,3,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: CN1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(c(c1)O)O

STK838651
Synonyms: 3- amino- 2- [(3,4- dichlorophenyl)carbonyl]- 4- methylthieno[2,3- b]pyridin- 6(7H)- one
Smiles: O=C(c1sc2c(c1N)c(C)cc(=O)[nH]2)c1ccc(c(c1)Cl)Cl

STK536742
Synonyms: N'- cyclohexyl- 2- hydroxy- 2,2- diphenylacetohydrazide
Smiles: O=C(C(c1ccccc1)(c1ccccc1)O)NNC1CCCCC1

STK838654
Synonyms: diethyl[5- (morpholin- 4- yl)- 2- phenyl- 1,3- oxazol- 4- yl]phosphonate
Smiles: CCOP(=O)(c1nc(oc1N1CCOCC1)c1ccccc1)OCC

STK536745
Synonyms: 2- (4- chlorophenyl)- 3- [4- (2,6- dichlorophenoxy)butyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1c(Cl)cccc1Cl

STK536746
Synonyms: 5- cyano- 4- (2- ethoxyphenyl)- 2- methyl- 6- {[2- oxo- 2- (1,3- thiazol- 2- ylamino)ethyl]sulfanyl}- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccccc1C1C(=C(SCC(=O)Nc2nccs2)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK536748
Synonyms: N'- [(E)- (5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 1H- pyrazole- 5- carbohydrazide
Smiles: Cc1nn(c(c1/C=N/NC(=O)c1ccn[nH]1)Cl)c1ccccc1

STK838657
Synonyms: (4Z)- 2- (4- bromophenyl)- 4- (thiophen- 2- ylmethylidene)- 1,3- oxazol- 5(4H)- one
Smiles: Brc1ccc(cc1)C1=N/C(=C\c2cccs2)/C(=O)O1

STK536756
Synonyms: 2- {[(3- chlorophenyl)carbonyl]amino}- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylicacid
Smiles: Clc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)O)CCC2

STK838662
Synonyms: methyl2- ({[5- (4- methoxyphenyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 2- yl]carbonyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

STK838667
Synonyms: (4Z)- 4- [(6- bromo- 1,3- benzodioxol- 5- yl)methylidene]- 2- (2- fluorophenyl)- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C\c1cc2OCOc2cc1Br)c1ccccc1F

STK838668
Synonyms: 7- benzyl- 8- [bis(2- hydroxyethyl)amino]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCN(c1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C)CCO

STK536762
Synonyms: N'- [(E)- (2,4- dimethoxyphenyl)methylidene]- 5,7- dimethyl[1,2,4]triazolo[1,5- a]pyrimidine- 2- carbohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)c1nn2c(n1)nc(cc2C)C

STK838669
Synonyms: 3- amino- N- (4- chlorophenyl)- 4- (5- methylfuran- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccc(o1)C)c1c(n2)CCCC1

STK838670
Synonyms: (2E)- 3- (1,3- benzodioxol- 5- ylamino)- 2- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK536766
Synonyms: 2- [4- (azepan- 1- yl)- 6- methylpyrimidin- 2- yl]phenol
Smiles: Cc1cc(nc(n1)c1ccccc1O)N1CCCCCC1

STK536768
Synonyms: methyl2- ({2- [(chloroacetyl)amino]- 3- ethoxy- 1,1,1- trifluoro- 3- oxopropan- 2- yl}amino)- 4- ethyl- 5- methylthiophene- 3- carboxylate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1sc(c(c1C(=O)OC)CC)C)NC(=O)CCl

STK838676
Synonyms: 5- (4- bromophenyl)- 3- chloro- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: Brc1ccc(cc1)c1cc(n2c(n1)c(Cl)c(n2)C(=O)N)C(F)(F)F

STK838678
Synonyms: (4Z)- 4- [(1- acetyl- 3- phenyl- 1H- pyrazol- 4- yl)methylidene]- 2- (4- fluorophenyl)- 1,3- oxazol- 5(4H)- one
Smiles: Fc1ccc(cc1)C1=N/C(=C\c2cn(nc2c2ccccc2)C(=O)C)/C(=O)O1

STK536773
Synonyms: (4- methoxyphenyl)(2- thioxo[1,2,4]triazolo[1,5- a]pyridin- 3(2H)- yl)methanone
Smiles: COc1ccc(cc1)C(=O)n1c(=S)nc2n1cccc2

STK536774
Synonyms: N'- [(1E)- butylidene]- 2- hydroxy- 2,2- diphenylacetohydrazide
Smiles: CCC/C=N/NC(=O)C(c1ccccc1)(c1ccccc1)O

STK536776
Synonyms: 6- ({2- [(4- chloro- 2,5- dimethoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- N- (4- chlorophenyl)- 5- cyano- 2- methyl- 4- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(OC)c(cc2OC)Cl)NC(=C(C1c1ccccc1)C(=O)Nc1ccc(cc1)Cl)C

STK838683
Synonyms: [3- bromo- 5- (4- methoxyphenyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 2- yl](piperidin- 1- yl)methanone
Smiles: COc1ccc(cc1)c1cc(n2c(n1)c(Br)c(n2)C(=O)N1CCCCC1)C(F)(F)F

STK838685
Synonyms: 3- methyl- 7- pentyl- 8- (pyrrolidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCC1

STK536787
Synonyms: 1- (anthracen- 9- yl)butane- 1,3- dione
Smiles: CC(=O)CC(=O)c1c2ccccc2cc2c1cccc2

STK838686
Synonyms: N,N- diethyl- 2- (pyridin- 3- yl)quinazolin- 4- amine
Smiles: CCN(c1nc(nc2c1cccc2)c1cccnc1)CC

STK838688
Synonyms: N- (1H- benzotriazol- 1- ylmethyl)- 4- methyl- 1,2,5- oxadiazol- 3- amine
Smiles: Cc1nonc1NCn1nnc2c1cccc2

STK536793
Synonyms: 2- hydroxy- 2- methyl- N',N'- diphenylpropanehydrazide
Smiles: O=C(C(O)(C)C)NN(c1ccccc1)c1ccccc1

STK536806
Synonyms: 4- [tert- butyl(2- hydroxyethyl)amino]- 1,1- diphenylbut- 2- yn- 1- ol
Smiles: OCCN(C(C)(C)C)CC#CC(c1ccccc1)(c1ccccc1)O

STK536808
Synonyms: 6- (4- methoxyphenyl)- N,N- dimethyl- 4,4- bis(trifluoromethyl)- 4H- 1,3,5- oxadiazin- 2- amine
Smiles: COc1ccc(cc1)C1=NC(N=C(O1)N(C)C)(C(F)(F)F)C(F)(F)F

STK536813
Synonyms: 4- {[(E)- (2- methoxynaphthalen- 1- yl)methylidene]amino}- 1,5- dimethyl- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: COc1ccc2c(c1/C=N/c1c(=O)n(n(c1C)C)c1ccccc1)cccc2

STK838696
Synonyms: 4- hydroxy- 2- oxo- N- (4- propoxyphenyl)- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCCOc1ccc(cc1)NC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK536817
Synonyms: 2- (2,6- dimethoxyphenoxy)- N'- {(E)- [4- (dimethylamino)phenyl]methylidene}acetohydrazide
Smiles: COc1cccc(c1OCC(=O)N/N=C/c1ccc(cc1)N(C)C)OC

STK536819
Synonyms: 5- cyano- 6- ({2- [(2,5- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N- (2- methylphenyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(C)ccc2C)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK536820
Synonyms: (2Z)- 2- [(15E)- 15- (2- carbamoylhydrazinylidene)icosan- 6- ylidene]hydrazinecarboxamide
Smiles: CCCCC/C(=N/NC(=O)N)/CCCCCCCC/C(=N/NC(=O)N)/CCCCC

STK536824
Synonyms: 8- (butan- 2- ylidene)- 2- (2,4- dichlorophenyl)- 3a,4,7,7a- tetrahydro- 1H- 4,7- methanoisoindole- 1,3(2H)- dione
Smiles: CC/C(=C/1\C2C=CC1C1C2C(=O)N(C1=O)c1ccc(cc1Cl)Cl)/C

STK536826
Synonyms: 5- cyano- 6- ({2- [(2,3- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- N- (2- methoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)C)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK838703
Synonyms: N- (4- bromophenyl)- 2- {[3- cyano- 4- (3,4- dimethoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC(=O)CC1c1ccc(c(c1)OC)OC

STK536827
Synonyms: 2- (4- chlorophenoxy)- 6- phenylpyrimidine- 4- carbonitrile
Smiles: N#Cc1nc(Oc2ccc(cc2)Cl)nc(c1)c1ccccc1

STK536828
Synonyms: N'~3~,N'~4~- dihydroxy- 1,2,5- oxadiazole- 3,4- dicarboximidamide
Smiles: O/N=C(\c1nonc1/C(=N/O)/N)/N

STK536829
Synonyms: 2- imino- 10- [(2E)- pent- 2- en- 2- yl]tetrahydro- 8a,3- (epoxymethano)chromene- 3,4,4(2H,4aH)- tricarbonitrile
Smiles: CC/C=C(/C1OC23CCCCC3C(C1(C#N)C(=N)O2)(C#N)C#N)\C

STK536834
Synonyms: 4- (4- methoxyphenoxy)- 2- (pyridin- 4- yl)quinazoline
Smiles: COc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1

STK838705
Synonyms: propan- 2- yl2- {[(3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)acetyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CC(OC(=O)c1c(NC(=O)Cn2nc(c(c2C)[N+](=O)[O-])C)sc2c1CCCC2)C

STK536839
Synonyms: 5- [(4- ethoxyphenyl)amino]- 5- oxopentane- 1,2,3,4- tetrayltetraacetate(non- preferredname)
Smiles: CCOc1ccc(cc1)NC(=O)C(C(C(OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C

STK536845
Synonyms: 4- (biphenyl- 4- yloxy)- 2- (pyridin- 4- yl)quinazoline
Smiles: c1ccc(cc1)c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1

STK838708
Synonyms: 4- (morpholin- 4- yl)- 2- (pyridin- 4- yl)quinazoline
Smiles: O1CCN(CC1)c1nc(nc2c1cccc2)c1ccncc1

STK536848
Synonyms: (2E)- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(2- oxo- 2H- chromen- 6- yl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)ccc(=O)o2)/c1scc(n1)c1ccc(cc1)Cl

STK838709
Synonyms: (2Z)- 2- (5- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)hydrazinecarbothioamide
Smiles: Cc1cc2/C(=N/NC(=S)N)/C(=O)Nc2cc1

STK536853
Synonyms: ethyl[1,1,1,3,3,3- hexafluoro- 2- (4,5,6,7- tetrahydro- 1,3- benzothiazol- 2- ylamino)propan- 2- yl]carbamate
Smiles: CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1nc2c(s1)CCCC2

STK838710
Synonyms: 4- methyl- 2- [4- (3- methylphenyl)- 3H- 1,5- benzodiazepin- 2- yl]phenol
Smiles: Cc1cccc(c1)C1=Nc2ccccc2N=C(C1)c1cc(C)ccc1O

STK838712
Synonyms: N,N- dibenzyl- 5- phenyl- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: O=C(c1cc2n(n1)C(CC(N2)c1ccccc1)C(F)(F)F)N(Cc1ccccc1)Cc1ccccc1

STK838713
Synonyms: 2- [4- (furan- 2- yl)- 3H- 1,5- benzodiazepin- 2- yl]phenol
Smiles: Oc1ccccc1C1=Nc2ccccc2N=C(C1)c1ccco1

STK838714
Synonyms: ethyl6- methyl- 2- {[(3- nitro- 1H- 1,2,4- triazol- 1- yl)acetyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cn2cnc(n2)[N+](=O)[O-])sc2c1CCC(C2)C

STK536861
Synonyms: methyl2- [2- hydroxy- 3- methyl- 2- (propan- 2- yl)butanoyl]- 1- phenylhydrazinecarboxylate
Smiles: COC(=O)N(c1ccccc1)NC(=O)C(C(C)C)(C(C)C)O

STK536866
Synonyms: 4- [4- (2,3- dimethylphenyl)piperazin- 1- yl]- 8- fluoro- 5H- pyrimido[5,4- b]indole
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cccc(c1C)C

STK536871
Synonyms: 3- bromo- N- [2- (4- fluorophenyl)ethyl]- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: Fc1ccc(cc1)CCNC(=O)c1coc(=O)c(c1)Br

STK838719
Synonyms: ethyl(2Z)- (6- chloropyridazin- 3(2H)- ylidene)(cyano)ethanoate
Smiles: CCOC(=O)/C(=c\1/ccc(n[nH]1)Cl)/C#N

STK838720
Synonyms: 2- [4- (thiophen- 2- yl)- 3H- 1,5- benzodiazepin- 2- yl]phenol
Smiles: Oc1ccccc1C1=Nc2ccccc2N=C(C1)c1cccs1

STK536879
Synonyms: ethyl(8S,8aR,11aS,11bS)- 10- (4- methoxyphenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 8- carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccc(cc1)OC

STK536881
Synonyms: (2E)- 2- [2- (4- chlorophenyl)hydrazinylidene]- 3- imino- 3- (piperidin- 1- yl)propanenitrile
Smiles: N#C/C(=N\Nc1ccc(cc1)Cl)/C(=N)N1CCCCC1

STK536883
Synonyms: 5,7- dimethyl- N'- [(E)- (5- nitrothiophen- 2- yl)methylidene][1,2,4]triazolo[1,5- a]pyrimidine- 2- carbohydrazide
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)N/N=C/c1ccc(s1)[N+](=O)[O-]

STK838723
Synonyms: N'- [(E)- (4- ethoxyphenyl)methylidene]- 2- hydroxy- 2- propylpentanehydrazide
Smiles: CCCC(C(=O)N/N=C/c1ccc(cc1)OCC)(CCC)O

STK536884
Synonyms: 3- chloro- 9- ethenyl- 6- iodo- 9H- carbazole
Smiles: C=Cn1c2ccc(cc2c2c1ccc(c2)Cl)I

STK838724
Synonyms: N- (3- acetylphenyl)- 5- phenyl- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 3- carboxamide
Smiles: O=C(c1cnn2c1nc(cc2C(F)(F)F)c1ccccc1)Nc1cccc(c1)C(=O)C

STK838725
Synonyms: methyl3,3,3- trifluoro- 2- hydroxy- 2- {4- [methyl(thiophen- 2- ylcarbonyl)amino]phenyl}propanoate
Smiles: COC(=O)C(C(F)(F)F)(c1ccc(cc1)N(C(=O)c1cccs1)C)O

STK838726
Synonyms: 5- (4- bromophenyl)- N- (3- methoxy- 5- nitrophenyl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: COc1cc(NC(=O)c2cc3n(n2)C(CC(N3)c2ccc(cc2)Br)C(F)(F)F)cc(c1)[N+](=O)[O-]

STK838729
Synonyms: 2- [4- methyl- 6- (prop- 2- en- 1- yloxy)pyrimidin- 2- yl]phenol
Smiles: C=CCOc1cc(C)nc(n1)c1ccccc1O

STK838732
Synonyms: 4- [4- (biphenyl- 4- yloxy)- 6- methylpyrimidin- 2- yl]morpholine
Smiles: Cc1cc(Oc2ccc(cc2)c2ccccc2)nc(n1)N1CCOCC1

STK536894
Synonyms: 2,2'- [(1,6- dioxohexane- 1,6- diyl)diimino]bis(5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylicacid)
Smiles: O=C(Nc1sc2c(c1C(=O)O)CCC2)CCCCC(=O)Nc1sc2c(c1C(=O)O)CCC2

STK536895
Synonyms: (2E)- 1- (2,4- dichlorophenyl)- 3- [4- (dimethylamino)phenyl]- 2- (1H- imidazol- 1- yl)prop- 2- en- 1- one
Smiles: Clc1ccc(c(c1)Cl)C(=O)/C(=C\c1ccc(cc1)N(C)C)/n1cncc1

STK838737
Synonyms: ethyl5- (4- chlorophenyl)- 6a- (4- methylphenyl)- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: CCOC(=O)C1=NNC2(C1C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccc(cc1)C

STK536903
Synonyms: (2E)- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 3- [(2- methylquinolin- 8- yl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc2c1nc(C)cc2)/c1scc(n1)c1ccc(cc1)OC

STK536905
Synonyms: ethyl2- {[(E)- (5- bromo- 3- chloro- 2- hydroxyphenyl)methylidene]amino}- 6- methyl- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxylate
Smiles: CCOC(=O)c1c(/N=C/c2cc(Br)cc(c2O)Cl)sc2c1CCN(C2)C

STK838741
Synonyms: 2- (2- fluorophenyl)- 5- (4- methoxyphenyl)- 4H- thieno[2,3- d][1,3]oxazin- 4- one
Smiles: COc1ccc(cc1)c1csc2c1c(=O)oc(n2)c1ccccc1F

STK838744
Synonyms: methyl2- {[(4- chloro- 5- methyl- 3- nitro- 1H- pyrazol- 1- yl)acetyl]amino}- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=O)Cn2nc(c(c2C)Cl)[N+](=O)[O-])sc2c1CCC(C2)C

STK838748
Synonyms: 4- hydroxy- 2- oxo- N- (pyridin- 3- yl)- 1,2- dihydroquinoline- 3- carboxamide
Smiles: O=C(c1c(=O)[nH]c2c(c1O)cccc2)Nc1cccnc1

STK838750
Synonyms: 4- (furan- 2- yl)- 2- (methylsulfanyl)- 6- phenylpyridine- 3- carbonitrile
Smiles: CSc1nc(cc(c1C#N)c1ccco1)c1ccccc1

STK838751
Synonyms: 4- (morpholin- 4- yl)- 2- (pyridin- 3- yl)quinazoline
Smiles: O1CCN(CC1)c1nc(nc2c1cccc2)c1cccnc1

STK536917
Synonyms: 1- dodecyl- 3,3- bis(4- hydroxyphenyl)- 1,3- dihydro- 2H- indol- 2- one
Smiles: CCCCCCCCCCCCN1c2ccccc2C(C1=O)(c1ccc(cc1)O)c1ccc(cc1)O

STK536918
Synonyms: 2- (3- hydroxyphenyl)- 1,3- dioxo- 2,3- dihydro- 1H- benzo[de]isoquinoline- 6- carboxylicacid
Smiles: Oc1cccc(c1)n1c(=O)c2cccc3c2c(c1=O)ccc3C(=O)O

STK536919
Synonyms: methyl2- [(4- chlorophenyl)amino]- N- (ethoxycarbonyl)- 3,3,3- trifluoroalaninate
Smiles: CCOC(=O)NC(C(F)(F)F)(C(=O)OC)Nc1ccc(cc1)Cl

STK536920
Synonyms: (3- amino- 6- hydroxy- 4- methylthieno[2,3- b]pyridin- 2- yl)(phenyl)methanone
Smiles: Oc1cc(C)c2c(n1)sc(c2N)C(=O)c1ccccc1

STK838755
Synonyms: 2- {4- [(4- methoxyphenyl)amino]- 6- methylpyrimidin- 2- yl}phenol
Smiles: COc1ccc(cc1)Nc1cc(C)nc(n1)c1ccccc1O

STK536926
Synonyms: 6- ({2- [(3- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- N- (2- methylphenyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Cl)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK838756
Synonyms: N- (2,4- dimethoxyphenyl)- 5- (4- methoxyphenyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: COc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)Nc1ccc(cc1OC)OC

STK838759
Synonyms: 2- (3- nitro- 1H- 1,2,4- triazol- 1- yl)- N- {3- nitro- 5- [3- (trifluoromethyl)phenoxy]phenyl}acetamide
Smiles: O=C(Cn1cnc(n1)[N+](=O)[O-])Nc1cc(Oc2cccc(c2)C(F)(F)F)cc(c1)[N+](=O)[O-]

STK838760
Synonyms: 2- [(cyanomethyl)sulfanyl]- 7,7- dimethyl- 5- oxo- 4- (propan- 2- yl)- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CCSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)C(C)C

STK536938
Synonyms: 1,3,7- trimethyl- 8- (piperazin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCNCC1

STK536942
Synonyms: 4- {1,1,1,3,3,3- hexafluoro- 2- [(pyridin- 2- ylmethyl)amino]propan- 2- yl}- 5- methyl- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1[nH]n(c(=O)c1C(C(F)(F)F)(C(F)(F)F)NCc1ccccn1)c1ccccc1

STK838761
Synonyms: 8- [(E)- (hydroxyimino)(phenyl)methyl]- 4- methyl- 9- phenyl- 2H- furo[2,3- h]chromen- 2- one
Smiles: O/N=C(/c1oc2c(c1c1ccccc1)c1oc(=O)cc(c1cc2)C)\c1ccccc1

STK838763
Synonyms: 2- amino- 4- (2- chlorophenyl)- 6- (methylsulfanyl)pyridine- 3,5- dicarbonitrile
Smiles: CSc1nc(N)c(c(c1C#N)c1ccccc1Cl)C#N

STK536947
Synonyms: 4- [(1H- benzotriazol- 1- ylmethyl)amino]- 1,2,5- oxadiazole- 3- carbonitrile
Smiles: N#Cc1nonc1NCn1nnc2c1cccc2

STK838765
Synonyms: 1- (1- benzyl- 2- methyl- 4- nitro- 1H- imidazol- 5- yl)piperidine
Smiles: [O-][N+](=O)c1nc(n(c1N1CCCCC1)Cc1ccccc1)C

STK536949
Synonyms: 2- (4- methoxyphenyl)- 1- [3- (piperidin- 1- yl)propyl]- 1H- imidazo[1,2- a]benzimidazole
Smiles: COc1ccc(cc1)c1cn2c(n1CCCN1CCCCC1)nc1c2cccc1

STK536950
Synonyms: 2- [4- (furan- 2- ylcarbonyl)piperazin- 1- yl]- 1- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: O=C(N1CCc2c(C1)c1ccccc1[nH]2)CN1CCN(CC1)C(=O)c1ccco1

STK536952
Synonyms: 2- [4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]- 1- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: Clc1ccc(c(c1)N1CCN(CC1)CC(=O)N1CCc2c(C1)c1ccccc1[nH]2)C

STK536954
Synonyms: 5- {[4- (dimethylamino)phenyl]amino}- 5- oxopentane- 1,2,3,4- tetrayltetraacetate(non- preferredname)
Smiles: CC(=O)OC(C(C(OC(=O)C)COC(=O)C)OC(=O)C)C(=O)Nc1ccc(cc1)N(C)C

STK838766
Synonyms: ethyl3,6- diamino- 5- cyano- 4- (3,4- dimethoxyphenyl)thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c(c1ccc(c(c1)OC)OC)c(c(n2)N)C#N

STK536957
Synonyms: 8- methyl- 3- ({(E)- [(1R)- 2,4,6- trimethylcyclohex- 3- en- 1- yl]methylidene}amino)- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: CC1=CC([C@@H](C(C1)C)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)C)C

STK838769
Synonyms: (2Z)- 1- (4- bromophenyl)- 4,4,4- trifluoro- 3- [(4- methylphenyl)amino]but- 2- en- 1- one
Smiles: Cc1ccc(cc1)N/C(=C\C(=O)c1ccc(cc1)Br)/C(F)(F)F

STK838771
Synonyms: 2- (1,4- dioxa- 8- azaspiro[4.5]dec- 8- ylcarbonyl)- 1- [(2- hydroxyethyl)amino]anthracene- 9,10- dione
Smiles: OCCNc1c(ccc2c1C(=O)c1ccccc1C2=O)C(=O)N1CCC2(CC1)OCCO2

STK838773
Synonyms: propan- 2- yl2- ({[5- phenyl- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 3- yl]carbonyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CC(OC(=O)c1c(sc2c1CCCC2)NC(=O)c1cnn2c1nc(cc2C(F)(F)F)c1ccccc1)C

STK838774
Synonyms: ethyl{[(4R)- 5- acetyl- 3- cyano- 6- methyl- 4- (2- nitrophenyl)- 1,4- dihydropyridin- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSC1=C(C#N)[C@@H](C(=C(N1)C)C(=O)C)c1ccccc1[N+](=O)[O-]

STK536970
Synonyms: 1- chloro- 4- {[(Z)- 2- nitro- 1,2- diphenylethenyl]sulfanyl}benzene
Smiles: Clc1ccc(cc1)S/C(=C(/c1ccccc1)\[N+](=O)[O-])/c1ccccc1

STK536974
Synonyms: 5- cyano- 6- ({2- [(2- ethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N- (2- methylphenyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2CC)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK838785
Synonyms: 5- (4- bromophenyl)- N- (2,4- difluorophenyl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: Brc1ccc(cc1)C1Nc2cc(nn2C(C1)C(F)(F)F)C(=O)Nc1ccc(cc1F)F

STK536980
Synonyms: ethyl5- fluoro- 3- ({2- [4- (furan- 2- ylcarbonyl)piperazin- 1- yl]propanoyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)C(=O)c1ccco1)C)cc(cc2)F

STK536982
Synonyms: 5- cyano- 6- ({2- [(2,5- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- 2- methyl- N- (2- methylphenyl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(C)ccc2C)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1C)C

STK536983
Synonyms: N'- (chloroacetyl)- 2- hydroxy- N'- (4- methylphenyl)- 2,2- diphenylacetohydrazide
Smiles: ClCC(=O)N(c1ccc(cc1)C)NC(=O)C(c1ccccc1)(c1ccccc1)O

STK536993
Synonyms: 8- bromo- 4- (thiomorpholin- 4- yl)- 5H- pyrimido[5,4- b]indole
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCSCC1

STK838796
Synonyms: methyl2- ({(E)- 2- cyano- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzoate
Smiles: N#C/C(=C\Nc1ccccc1C(=O)OC)/c1scc(n1)c1ccc(c(c1)OC)OC

STK838797
Synonyms: 5- (acetylamino)- 2,1,3- benzoxadiazole- 4,7- diyldiacetate
Smiles: CC(=O)Nc1cc(OC(=O)C)c2c(c1OC(=O)C)non2

STK838799
Synonyms: 5- bromo- N- [3- (butanoylamino)phenyl]naphthalene- 1- carboxamide
Smiles: CCCC(=O)Nc1cccc(c1)NC(=O)c1cccc2c1cccc2Br

STK838800
Synonyms: 2- (4- chloro- 5- methyl- 3- nitro- 1H- pyrazol- 1- yl)- N- [4- chloro- 2- (phenylcarbonyl)phenyl]acetamide
Smiles: O=C(Cn1nc(c(c1C)Cl)[N+](=O)[O-])Nc1ccc(cc1C(=O)c1ccccc1)Cl

STK537003
Synonyms: 2- [4- bromo- 5- methyl- 2- (propan- 2- yl)phenoxy]- N'- [(1E)- 2- (thiophen- 2- yl)prop- 1- en- 1- yl]acetohydrazide
Smiles: O=C(COc1cc(C)c(cc1C(C)C)Br)NN/C=C(/c1cccs1)\C

STK838810
Synonyms: (4Z)- 2- (2- chloro- 4- nitrophenyl)- 4- (thiophen- 2- ylmethylidene)- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C\c1cccs1)c1ccc(cc1Cl)[N+](=O)[O-]

STK537016
Synonyms: ethyl2- {[(E)- (2- hydroxy- 3- methoxy- 5- nitrophenyl)methylidene]amino}- 6- methyl- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxylate
Smiles: CCOC(=O)c1c(/N=C/c2cc(cc(c2O)OC)[N+](=O)[O-])sc2c1CCN(C2)C

STK537018
Synonyms: 2- amino- 6- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 4- (3,4,5- trimethoxyphenyl)pyridine- 3,5- dicarbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)Cl)nc(c(c1c1cc(OC)c(c(c1)OC)OC)C#N)N

STK537019
Synonyms: 2- [4- (2,3- dimethylphenyl)piperazin- 1- yl]- 1- (1H- indol- 3- yl)propan- 1- one
Smiles: CC(C(=O)c1c[nH]c2c1cccc2)N1CCN(CC1)c1cccc(c1C)C

STK838817
Synonyms: benzyl{[6- amino- 3,5- dicyano- 4- (4- methoxyphenyl)pyridin- 2- yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)OCc2ccccc2)nc(c(c1c1ccc(cc1)OC)C#N)N

STK537034
Synonyms: methyl(2Z)- 5- (dibenzylamino)- 3- [(4- methylphenyl)carbonyl]- 4,5- dioxo- 2- (phenylamino)pent- 2- enoate
Smiles: COC(=O)/C(=C(\C(=O)c1ccc(cc1)C)/C(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1)/Nc1ccccc1

STK537038
Synonyms: 4- (4- chlorophenyl)- 2- (4- ethylpiperazin- 1- yl)- 6- (trifluoromethyl)pyrimidine
Smiles: CCN1CCN(CC1)c1nc(cc(n1)c1ccc(cc1)Cl)C(F)(F)F

STK537040
Synonyms: 4- (3- iodophenyl)- 2- (thiophen- 2- yl)- 6H- 1,3- oxazin- 6- one
Smiles: Ic1cccc(c1)c1cc(=O)oc(n1)c1cccs1

STK537042
Synonyms: N- (4- chlorophenyl)- 5- cyano- 6- ({2- [(2,3- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 4- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)C)NC(=C(C1c1ccccc1)C(=O)Nc1ccc(cc1)Cl)C

STK838823
Synonyms: 5- (3,4- dimethoxyphenyl)- N- (thiophen- 2- ylmethyl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: COc1cc(ccc1OC)C1Nc2cc(nn2C(C1)C(F)(F)F)C(=O)NCc1cccs1

STK537051
Synonyms: {[1- (4- nitrophenyl)- 1H- pyrrol- 2- yl]methylidene}propanedinitrile
Smiles: N#CC(=Cc1cccn1c1ccc(cc1)[N+](=O)[O-])C#N

STK838827
Synonyms: 8- (ethylamino)- 1,3- dimethyl- 7- (2- methylprop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCNc1nc2c(n1CC(=C)C)c(=O)n(c(=O)n2C)C

STK838829
Synonyms: 1,3- dimethyl- 7- [2- (morpholin- 4- yl)ethyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCN1CCOCC1)cn2

STK537060
Synonyms: tert- butyl4- (4- chlorophenyl)- 6- ({2- [(4- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Cl)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

STK537061
Synonyms: N'~2~,N'~6~- bis[(E)- (3,4- dimethoxyphenyl)methylidene]pyridine- 2,6- dicarbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2cccc(n2)C(=O)N/N=C/c2ccc(c(c2)OC)OC)ccc1OC

STK537072
Synonyms: 4- [4- methyl- 5- nitro- 6- (4- nitrophenoxy)pyrimidin- 2- yl]morpholine
Smiles: [O-][N+](=O)c1c(Oc2ccc(cc2)[N+](=O)[O-])nc(nc1C)N1CCOCC1

STK838839
Synonyms: 5- cyano- 2- methyl- N- (2- methylphenyl)- 6- {[2- oxo- 2- (1,3- thiazol- 2- ylamino)ethyl]sulfanyl}- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2nccs2)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK838840
Synonyms: 6- [(4- chlorobenzyl)sulfanyl]- 5- cyano- 4- (furan- 2- yl)- 2- methyl- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C

STK537076
Synonyms: (2E)- 2- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]- 3- [(9- ethyl- 9H- carbazol- 3- yl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)c1ccccc1n2CC)/c1scc(n1)c1ccc(cc1C)C

STK537077
Synonyms: 3- {[4- chloro- 2- (phenylcarbonyl)phenyl]amino}- 6,7- dimethoxy- 2- benzofuran- 1(3H)- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1ccc(cc1C(=O)c1ccccc1)Cl

STK838843
Synonyms: 2- {4- [(4- methoxyphenyl)amino]quinazolin- 2- yl}phenol
Smiles: COc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccc1O

STK838844
Synonyms: (4- benzylpiperazin- 1- yl)[3- chloro- 5- (4- methylphenyl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidin- 2- yl]methanone
Smiles: Cc1ccc(cc1)C1CC(n2c(N1)c(Cl)c(n2)C(=O)N1CCN(CC1)Cc1ccccc1)C(F)(F)F

STK537087
Synonyms: 5- ethyl- 3,3- dimethyl- 6- phenyldihydro- 2H- pyran- 2,4(3H)- dione
Smiles: CCC1C(OC(=O)C(C1=O)(C)C)c1ccccc1

STK537090
Synonyms: 1- (5- tert- butyl- 1,3,4- thiadiazol- 2- yl)- 1,3- dimethylurea
Smiles: CNC(=O)N(c1nnc(s1)C(C)(C)C)C

STK537097
Synonyms: 8- methoxy- 4- [4- (2- methoxyphenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccccc1OC

STK838848
Synonyms: N- [(1Z)- 1- (3,4- dimethoxyphenyl)- 3- {[2- (1H- indol- 3- yl)ethyl]amino}- 3- oxoprop- 1- en- 2- yl]furan- 2- carboxamide
Smiles: COc1cc(ccc1OC)/C=C(/C(=O)NCCc1c[nH]c2c1cccc2)\NC(=O)c1ccco1

STK537106
Synonyms: (4S)- 2- amino- 10- methyl- 4- (thiophen- 2- yl)- 4,4a,5,6,7,8- hexahydro- 3H- 5,8- epiminobenzo[7]annulene- 1,3,3- tricarbonitrile
Smiles: N#CC1=C(N)C([C@H](C2C1=CC1CCC2N1C)c1cccs1)(C#N)C#N

STK537112
Synonyms: ethyl(2Z)- 2- [2- (2,5- dimethoxy- 4- nitrophenyl)hydrazinylidene]- 5- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)pentanoate
Smiles: CCOC(=O)/C(=N\Nc1cc(OC)c(cc1OC)[N+](=O)[O-])/CCCN1C(=O)c2c(C1=O)cccc2

STK537115
Synonyms: methyl2- {[2- (acetylamino)- 1,1,1,3,3,3- hexafluoropropan- 2- yl]amino}- 4- ethyl- 5- methylthiophene- 3- carboxylate
Smiles: COC(=O)c1c(sc(c1CC)C)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C

STK537118
Synonyms: 3- bromo- N- (2- fluorophenyl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)Nc1ccccc1F

STK838857
Synonyms: ethyl2- methyl- 4,5- dioxo- 1- phenylprolinate
Smiles: CCOC(=O)C1(C)CC(=O)C(=O)N1c1ccccc1

STK838858
Synonyms: N'- [(E)- (2,4- dichlorophenyl)methylidene]- 5,7- dimethyl[1,2,4]triazolo[1,5- a]pyrimidine- 2- carbohydrazide
Smiles: Clc1ccc(c(c1)Cl)/C=N/NC(=O)c1nn2c(n1)nc(cc2C)C

STK537129
Synonyms: N- [(1Z)- 3- (2- chlorophenyl)- 2- cyano- 1- ({2- [(4- ethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- oxo- 5- phenylpent- 1- en- 1- yl]benzamide
Smiles: CCc1ccc(cc1)NC(=O)CS/C(=C(/C(c1ccccc1Cl)CC(=O)c1ccccc1)\C#N)/NC(=O)c1ccccc1

STK537130
Synonyms: 6- ({2- [(3- bromophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- N- (2- methylphenyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Br)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK838863
Synonyms: (2- hydroxy- 6- methyl- 2,4,6- triphenylcyclohex- 3- en- 1- yl)(phenyl)methanone
Smiles: O=C(C1C(C)(CC(=CC1(O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

STK537135
Synonyms: N'- (4- methylphenyl)- 2- oxo- 2- (piperidin- 1- yl)acetohydrazide
Smiles: O=C(C(=O)N1CCCCC1)NNc1ccc(cc1)C

STK838866
Synonyms: N'- [(3Z)- 5- bromo- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- 2- hydroxy- 2- methylpropanehydrazide
Smiles: O=C(C(O)(C)C)N/N=C/1\C(=O)Nc2c1cc(Br)cc2

STK838867
Synonyms: 6- methyl- 2- (morpholin- 4- yl)- 5- nitro- N- phenylpyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(C)nc(nc1Nc1ccccc1)N1CCOCC1

STK838868
Synonyms: 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 4- (pyridin- 3- yl)- 5,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1c1cccnc1)CCCC2

STK537139
Synonyms: 2,2- bis(4- chlorophenyl)- 2- hydroxy- N',N'- dimethyl- N- phenylacetohydrazide
Smiles: Clc1ccc(cc1)C(C(=O)N(c1ccccc1)N(C)C)(c1ccc(cc1)Cl)O

STK537141
Synonyms: 4- [(E)- {[4- (dimethylamino)phenyl]imino}methyl]- 2- phenyl- 1,3- oxazol- 5- yl3- bromobenzoate
Smiles: Brc1cccc(c1)C(=O)Oc1oc(nc1/C=N/c1ccc(cc1)N(C)C)c1ccccc1

STK537142
Synonyms: 1- methyl- N'- [(E)- pyridin- 3- ylmethylidene]- 1H- pyrazole- 5- carbohydrazide
Smiles: O=C(c1ccnn1C)N/N=C/c1cccnc1

STK838870
Synonyms: 2- (benzylsulfanyl)- 4- (4- ethoxy- 3- methoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: CCOc1ccc(cc1OC)C1CC(=O)NC(=C1C#N)SCc1ccccc1

STK537146
Synonyms: 3- hydroxy- 5- sulfamoylnaphthalene- 2- carboxylicacid
Smiles: OC(=O)c1cc2cccc(c2cc1O)S(=O)(=O)N

STK537148
Synonyms: 2- (biphenyl- 4- yl)- 4- (4- ethoxyphenyl)- 6H- 1,3- oxazin- 6- one
Smiles: CCOc1ccc(cc1)c1cc(=O)oc(n1)c1ccc(cc1)c1ccccc1

STK537149
Synonyms: 6- ({2- [(3- chloro- 2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- N- (2- methoxyphenyl)- 2- methyl- 4- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1OC)C

STK537150
Synonyms: 2- (acryloylamino)- 2- phenylethanesulfonicacid
Smiles: C=CC(=O)NC(c1ccccc1)CS(=O)(=O)O

STK537151
Synonyms: N- [2- (1- hydroxyethyl)- 4,5- dimethoxyphenyl]- 4- methylbenzenesulfonamide
Smiles: COc1cc(NS(=O)(=O)c2ccc(cc2)C)c(cc1OC)C(O)C

STK537154
Synonyms: ethyl3,3,3- trifluoro- N- [(4- methoxyphenyl)carbamoyl]- 2- phenoxyalaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Oc1ccccc1)NC(=O)Nc1ccc(cc1)OC

STK537158
Synonyms: ethyl(1,1,1,3,3,3- hexafluoro- 2- {[2- (3H- indol- 3- yl)ethyl]amino}propan- 2- yl)carbamate
Smiles: CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NCCC1C=Nc2c1cccc2

STK537159
Synonyms: methyl2- ({2- [(chloroacetyl)amino]- 3- ethoxy- 1,1,1- trifluoro- 3- oxopropan- 2- yl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)OC)CCCC2)NC(=O)CCl

STK838873
Synonyms: 6- methyl- 5- nitro- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: [O-][N+](=O)c1c(C)ccc2c1c(=O)cc(o2)C(F)(F)F

STK838875
Synonyms: 3- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (5- methyl- 1,3,4- thiadiazol- 2- yl)propanamide
Smiles: O=C(Nc1nnc(s1)C)CCN1C(=O)c2c(C1=O)cccc2

STK537162
Synonyms: 3'- [3- (trifluoromethyl)phenyl]- 2'H- spiro[indole- 3,4'- [1,3]thiazolidine]- 2,2'(1H)- dione
Smiles: O=C1SCC2(N1c1cccc(c1)C(F)(F)F)C(=O)Nc1c2cccc1

STK838876
Synonyms: 2- [4- chloro- 5- methyl- 3- (trifluoromethyl)- 1H- pyrazol- 1- yl]- N- (thiophen- 2- ylmethyl)acetamide
Smiles: O=C(Cn1nc(c(c1C)Cl)C(F)(F)F)NCc1cccs1

STK537165
Synonyms: methyl3- {[2- (3,3- dimethylpiperidin- 1- yl)propanoyl]amino}- 5- methyl- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCCC(C1)(C)C)C)cc(cc2)C

STK537168
Synonyms: 2,2- bis(4- ethoxyphenyl)- N'- [1- (4- ethoxyphenyl)ethyl]- 2- hydroxyacetohydrazide
Smiles: CCOc1ccc(cc1)C(NNC(=O)C(c1ccc(cc1)OCC)(c1ccc(cc1)OCC)O)C

STK838880
Synonyms: 2- {[3- cyano- 4- (4- ethoxy- 3- methoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CCOc1ccc(cc1OC)C1CC(=O)NC(=C1C#N)SCC(=O)Nc1nccs1

STK537171
Synonyms: methyl6- methyl- 2- ({[5- (thiophen- 2- yl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 2- yl]carbonyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3C(F)(F)F)c2cccs2)sc2c1CCC(C2)C

STK537178
Synonyms: methyl4- {[2- (pyridin- 4- yl)quinazolin- 4- yl]oxy}benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1

STK537181
Synonyms: 5- [(6- bromo- 4- oxo- 4H- chromen- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)NC(=O)C1=Cc1coc2c(c1=O)cc(cc2)Br

STK537184
Synonyms: 8- methyl- 4- {4- [(2E)- 3- phenylprop- 2- en- 1- yl]piperazin- 1- yl}- 5H- pyrimido[5,4- b]indole
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)C/C=C/c1ccccc1

STK838885
Synonyms: (4Z)- 4- [(6- bromo- 1,3- benzodioxol- 5- yl)methylidene]- 2- (3- methylphenyl)- 1,3- oxazol- 5(4H)- one
Smiles: Cc1cccc(c1)C1=N/C(=C\c2cc3OCOc3cc2Br)/C(=O)O1

STK838886
Synonyms: 2- amino- 6- (ethylsulfanyl)- 4- [4- (propan- 2- yl)phenyl]pyridine- 3,5- dicarbonitrile
Smiles: CCSc1nc(N)c(c(c1C#N)c1ccc(cc1)C(C)C)C#N

STK838889
Synonyms: 2- (pyridin- 3- yl)- 4- (pyrrolidin- 1- yl)quinazoline
Smiles: c1ccc(cn1)c1nc2ccccc2c(n1)N1CCCC1

STK537198
Synonyms: 5- (4- methoxyphenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl(1E)- N- (4- methoxyphenyl)- 2- oxopropanehydrazonothioate
Smiles: COc1ccc(cc1)N/N=C(\C(=O)C)/Sc1nnc(n1C)c1ccc(cc1)OC

STK537207
Synonyms: 2- (3,4- dimethoxyphenyl)- 9- methyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1cc(ccc1OC)c1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C

STK838892
Synonyms: 8- [(2- chlorobenzyl)sulfanyl]- 1,3- dimethyl- 7- (2- methylprop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(=C)Cn1c(SCc2ccccc2Cl)nc2c1c(=O)n(c(=O)n2C)C

STK537210
Synonyms: 7- chloro- N- (2,5- dichlorophenyl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: Clc1ccc(c(c1)Nc1cc(Cl)c2c(c1[N+](=O)[O-])non2)Cl

STK537213
Synonyms: 1,1'- [(Z)- 1- (benzylsulfanyl)- 2- nitroethene- 1,2- diyl]dibenzene
Smiles: [O-][N+](=O)/C(=C(/c1ccccc1)\SCc1ccccc1)/c1ccccc1

STK838894
Synonyms: methyl6- tert- butyl- 2- {[(3- nitro- 1H- 1,2,4- triazol- 1- yl)acetyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=O)Cn2cnc(n2)[N+](=O)[O-])sc2c1CCC(C2)C(C)(C)C

STK537218
Synonyms: 4- [4- methyl- 6- (4- methylpiperazin- 1- yl)pyrimidin- 2- yl]morpholine
Smiles: CN1CCN(CC1)c1cc(C)nc(n1)N1CCOCC1

STK838899
Synonyms: 4- (4- methylphenoxy)- 2- (pyridin- 4- yl)quinazoline
Smiles: Cc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1

STK537234
Synonyms: 2- [4- (propan- 2- yloxy)quinazolin- 2- yl]phenol
Smiles: CC(Oc1nc(nc2c1cccc2)c1ccccc1O)C

STK838903
Synonyms: 2,6- dimethyl- N,N'- diphenyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3,5- dicarboxamide
Smiles: CC1=C(C(=O)Nc2ccccc2)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1cccs1

STK838904
Synonyms: N- (3,4- dimethoxybenzyl)- 1- (4- methylphenyl)- 2,5- dioxo- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: COc1cc(CNC(=O)c2cc3C(=O)CCCc3n(c2=O)c2ccc(cc2)C)ccc1OC

STK537235
Synonyms: 4- (biphenyl- 4- yl)- 2- [(phenylcarbonyl)amino]thiophene- 3- carboxylicacid
Smiles: O=C(c1ccccc1)Nc1scc(c1C(=O)O)c1ccc(cc1)c1ccccc1

STK838906
Synonyms: diethyl3- methyl- 5- {[(7- methyl- 5- phenylpyrazolo[1,5- a]pyrimidin- 2- yl)carbonyl]amino}thiophene- 2,4- dicarboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3C)c2ccccc2)sc(c1C)C(=O)OCC

STK537241
Synonyms: 4- (3- methylpiperidin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: CC1CCCN(C1)c1ncnc2c1[nH]c1c2cccc1

STK838909
Synonyms: (2E)- 2- cyano- 2- [2- (2- methoxyphenyl)hydrazinylidene]ethanethioamide
Smiles: N#C/C(=N\Nc1ccccc1OC)/C(=S)N

STK537248
Synonyms: methyl4- (3,5- dimethoxyphenyl)- 6- methyl- 2- oxo- 1,2,3,4- tetrahydropyrimidine- 5- carboxylate
Smiles: COc1cc(OC)cc(c1)C1NC(=O)NC(=C1C(=O)OC)C

STK838921
Synonyms: 4- (2- methoxyphenyl)- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 6- phenylpyridine- 3- carbonitrile
Smiles: COc1ccccc1c1cc(nc(c1C#N)SCC(=O)c1ccccc1)c1ccccc1

STK838922
Synonyms: 3- (3- tert- butyl- 1- methyl- 7- oxo- 6,7- dihydro- 1H- pyrazolo[4,3- d]pyrimidin- 5- yl)- 4- ethoxy- N- (2- hydroxyethyl)benzenesulfonamide
Smiles: OCCNS(=O)(=O)c1ccc(c(c1)c1nc2c(c(=O)[nH]1)n(nc2C(C)(C)C)C)OCC

STK838924
Synonyms: N- [3- nitro- 5- (pyridin- 3- yloxy)phenyl]- 2- (3- nitro- 1H- 1,2,4- triazol- 1- yl)acetamide
Smiles: O=C(Cn1cnc(n1)[N+](=O)[O-])Nc1cc(Oc2cccnc2)cc(c1)[N+](=O)[O-]

STK537261
Synonyms: 2,1,3- benzoxadiazole- 5- carboxylicacid3- oxide
Smiles: [O-][n+]1onc2c1cc(cc2)C(=O)O

STL036493
Synonyms: 7- nitro- 2,1,3- benzoxadiazole- 4,6- diamine
Smiles: [O-][N+](=O)c1c(N)cc(c2c1non2)N

STK537267
Synonyms: ethyl2- {3- [(1E)- 2- cyano- 3- (morpholin- 4- yl)- 3- oxoprop- 1- en- 1- yl]- 2,5- dimethyl- 1H- pyrrol- 1- yl}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C(/C(=O)N1CCOCC1)\C#N

STK838929
Synonyms: 2- (4- bromo- 5- methyl- 3- nitro- 1H- pyrazol- 1- yl)- N- (thiophen- 2- ylmethyl)acetamide
Smiles: O=C(Cn1nc(c(c1C)Br)[N+](=O)[O-])NCc1cccs1

STK838931
Synonyms: [5- (4- chlorophenyl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidin- 2- yl][4- (4- fluorophenyl)piperazin- 1- yl]methanone
Smiles: Fc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2n(n1)C(CC(N2)c1ccc(cc1)Cl)C(F)(F)F

STK537269
Synonyms: N'- ethyl- 2- hydroxy- 2,2- bis(3- methylphenyl)acetohydrazide
Smiles: CCNNC(=O)C(c1cccc(c1)C)(c1cccc(c1)C)O

STK537289
Synonyms: N'~1~,N'~2~- bis(3- methylphenyl)ethanedihydrazide
Smiles: Cc1cccc(c1)NNC(=O)C(=O)NNc1cccc(c1)C

STK537298
Synonyms: N'- [(3Z)- 1- ethyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- 2- hydroxy- 2- methylpropanehydrazide
Smiles: CCN1C(=O)/C(=N\NC(=O)C(O)(C)C)/c2c1cccc2

STK838936
Synonyms: 5- cyano- N- (2- methoxyphenyl)- 2- methyl- 6- [(2- oxo- 2- phenylethyl)sulfanyl]- 4- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)c2ccccc2)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1OC)C

STK537303
Synonyms: methyl2- amino- 4- methyl- 5- phenylthiophene- 3- carboxylate
Smiles: COC(=O)c1c(N)sc(c1C)c1ccccc1

STK537304
Synonyms: 8- bromo- 4- [4- (2- fluorophenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccccc1F

STK537306
Synonyms: ethyl2- (butanoylamino)- N- [5- (3- ethoxy- 1,1,1- trifluoro- 2- hydroxy- 3- oxopropan- 2- yl)- 2- methoxyphenyl]- 3,3,3- trifluoroalaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1cc(ccc1OC)C(C(F)(F)F)(C(=O)OCC)O)NC(=O)CCC

STK838938
Synonyms: ethyl4,5- dimethyl- 2- ({[5- methyl- 3- (trifluoromethyl)- 1H- pyrazol- 1- yl]acetyl}amino)thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cn2nc(cc2C)C(F)(F)F)sc(c1C)C

STK537308
Synonyms: 4- [4- (diphenylmethyl)piperazin- 1- yl]- 2- (pyridin- 4- yl)quinazoline
Smiles: c1ccc(cc1)C(c1ccccc1)N1CCN(CC1)c1nc(nc2c1cccc2)c1ccncc1

STK838940
Synonyms: N'- (2- butyl- 2- hydroxyhexanoyl)- 2- fluoro- N- phenylbenzohydrazide
Smiles: CCCCC(C(=O)NN(C(=O)c1ccccc1F)c1ccccc1)(CCCC)O

STK537312
Synonyms: 8- oxo- 8,9,10,11- tetrahydroazepino[1,2- a]quinoline- 7- carbonitrile
Smiles: N#CC1=c2ccc3c(n2CCCC1=O)cccc3

STK537320
Synonyms: 1,2- bis(4- chlorophenyl)ethane- 1,2- dione
Smiles: O=C(C(=O)c1ccc(cc1)Cl)c1ccc(cc1)Cl

STK537322
Synonyms: ethyl5'- ({(Z)- [2- (furan- 2- yl)- 5- oxo- 1,3- oxazol- 4(5H)- ylidene]methyl}amino)- 2,3'- bithiophene- 4'- carboxylate
Smiles: CCOC(=O)c1c(N/C=C/2\N=C(OC2=O)c2ccco2)scc1c1cccs1

STK537327
Synonyms: 5- cyano- 6- ({2- [(2,4- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- N- (2- methoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK537328
Synonyms: 4- azido- N- (1H- benzotriazol- 1- ylmethyl)- 1,2,5- oxadiazol- 3- amine
Smiles: [N-]=[N+]=Nc1nonc1NCn1nnc2c1cccc2

STK537329
Synonyms: (2E)- 2- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]- 3- (quinolin- 6- ylamino)prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)cccn2)/c1scc(n1)c1ccc(cc1C)C

STK537332
Synonyms: 5- (4- methoxyphenyl)- 1- phenylpyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)C1CC(=O)C(=O)N1c1ccccc1

STK537334
Synonyms: 4- amino- N'- [(4- methyl- 1,2,5- oxadiazol- 3- yl)carbonyl]- 1,2,5- oxadiazole- 3- carbohydrazonamide
Smiles: O=C(c1nonc1C)N/N=C(\c1nonc1N)/N

STK537335
Synonyms: methyl5- bromo- 3- {[2- (3,4- dihydroisoquinolin- 2(1H)- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCc3c(C1)cccc3)C)cc(cc2)Br

STK537337
Synonyms: ethylN- [(3- carbamoyl- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)carbamoyl]- 3,3,3- trifluoro- 2- (2,2,2- trifluoroethoxy)alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(NC(=O)Nc1sc2c(c1C(=O)N)CCCC2)OCC(F)(F)F

STK537340
Synonyms: N- [(E)- 2- chloro- 2- (dimorpholin- 4- ylphosphoryl)ethenyl]- N'- [(Z)- 2- chloro- 2- (dimorpholin- 4- ylphosphoryl)ethenyl]ethane- 1,2- diamine
Smiles: Cl/C(=C/NCCN/C=C(/P(=O)(N1CCOCC1)N1CCOCC1)\Cl)/P(=O)(N1CCOCC1)N1CCOCC1

STK537341
Synonyms: ethyl(8S,8aR,11aS,11bS)- 10- (2,5- dimethoxyphenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 8- carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1cc(OC)ccc1OC

STK537342
Synonyms: ethyl3- bromo- 5- (5- bromofuran- 2- yl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxylate
Smiles: CCOC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccc(o1)Br

STK838947
Synonyms: methyl(4Z)- 4- (2- hydroxybenzylidene)- 1- (3- methoxypropyl)- 2- methyl- 5- oxo- 4,5- dihydro- 1H- pyrrole- 3- carboxylate
Smiles: COCCCN1C(=O)/C(=C\c2ccccc2O)/C(=C1C)C(=O)OC

STK838948
Synonyms: 5- cyano- 2- methyl- 6- ({2- [(3- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- N- phenyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

STK838953
Synonyms: 2- {[3- cyano- 4- (2- ethoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (3- fluorophenyl)acetamide
Smiles: CCOc1ccccc1C1CC(=O)NC(=C1C#N)SCC(=O)Nc1cccc(c1)F

STK537351
Synonyms: methyl3- amino- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: COc1cc2[nH]c(c(c2cc1OC)N)C(=O)OC

STK838955
Synonyms: 4,4- dinitro- 4,5,6,7- tetrahydro- 2,1,3- benzoxadiazole
Smiles: [O-][N+](=O)C1(CCCc2c1non2)[N+](=O)[O-]

STK838956
Synonyms: N'~2~,N'~6~- bis{(E)- [4- (dimethylamino)phenyl]methylidene}pyridine- 2,6- dicarbohydrazide
Smiles: CN(c1ccc(cc1)/C=N/NC(=O)c1cccc(n1)C(=O)N/N=C/c1ccc(cc1)N(C)C)C

STK537352
Synonyms: 2- [4- (4- fluorophenyl)piperazin- 1- yl]- 1- (8- fluoro- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: Fc1ccc(cc1)N1CCN(CC1)CC(=O)N1CCc2c(C1)c1cc(F)ccc1[nH]2

STK838957
Synonyms: 3- amino- N- (3- chloro- 4- methylphenyl)- 4- (5- methylfuran- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Cc1ccc(o1)c1c2CCCCc2nc2c1c(N)c(s2)C(=O)Nc1ccc(c(c1)Cl)C

STK537354
Synonyms: methyl6a- (4- chlorophenyl)- 5- (2,3- dimethylphenyl)- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1cccc(c1C)C)c1ccc(cc1)Cl

STK537355
Synonyms: 5- cyano- 2- methyl- N- (2- methylphenyl)- 6- {[2- (naphthalen- 2- ylamino)- 2- oxoethyl]sulfanyl}- 4- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc3c(c2)cccc3)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1C)C

STK537356
Synonyms: ethyl5- methoxy- 3- [(E)- (3- methylpiperidin- 1- yl)diazenyl]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/N=N/N1CCCC(C1)C)cc(cc2)OC

STK537361
Synonyms: 1- methyl- N- (propan- 2- yl)- 1,4,6,7- tetrahydro- 5H- [1,2,3]triazolo[4,5- c]pyridine- 5- carbothioamide
Smiles: CC(NC(=S)N1CCc2c(C1)nnn2C)C

STK838962
Synonyms: 5- (4- ethoxyphenyl)- 7- methylpyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: CCOc1ccc(cc1)c1cc(C)n2c(n1)cc(n2)C(=O)N

STK838963
Synonyms: 6- methyl- N- (4- methylphenyl)- 2- (morpholin- 4- yl)pyrimidin- 4- amine
Smiles: Cc1ccc(cc1)Nc1cc(C)nc(n1)N1CCOCC1

STK838965
Synonyms: 5- [bis(methylsulfanyl)methylidene]- 2,2- dimethyl- 1,3- dioxane- 4,6- dione
Smiles: CSC(=C1C(=O)OC(OC1=O)(C)C)SC

STK838967
Synonyms: (5Z)- 1- phenyl- 5- (1H- pyrrol- 2- ylmethylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1[nH]ccc1)c1ccccc1

STK537369
Synonyms: 2- {[6- methyl- 2- (morpholin- 4- yl)- 5- nitropyrimidin- 4- yl]amino}ethanol
Smiles: OCCNc1nc(nc(c1[N+](=O)[O-])C)N1CCOCC1

STK838971
Synonyms: 5- cyano- 2- methyl- 6- {[2- oxo- 2- (1,3- thiazol- 2- ylamino)ethyl]sulfanyl}- N,4- diphenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2nccs2)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1)C

STK838973
Synonyms: 2- hydroxy- N'- (4- methylphenyl)- 2- propylpentanehydrazide
Smiles: CCCC(C(=O)NNc1ccc(cc1)C)(CCC)O

STK537377
Synonyms: 2- chloro- 3- [(2- methoxyethyl)amino]naphthalene- 1,4- dione
Smiles: COCCNC1=C(Cl)C(=O)c2c(C1=O)cccc2

STK838976
Synonyms: 4- (2- methylpiperidin- 1- yl)- 2- (pyridin- 4- yl)quinazoline
Smiles: CC1CCCCN1c1nc(nc2c1cccc2)c1ccncc1

STK537384
Synonyms: 4- (2- chlorophenyl)- 2,6- dimethyl- N,N'- diphenyl- 1,4- dihydropyridine- 3,5- dicarboxamide
Smiles: CC1=C(C(=O)Nc2ccccc2)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccccc1Cl

STK537386
Synonyms: 6- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: Cc1cc(n(n1)c1cc(=O)n(c(=O)n1C)C)C

STK838977
Synonyms: (3E)- N- (2,4- dimethoxyphenyl)- 3- [2- (pyrazin- 2- ylcarbonyl)hydrazinylidene]butanamide
Smiles: COc1cc(OC)ccc1NC(=O)C/C(=N/NC(=O)c1cnccn1)/C

STK838978
Synonyms: (5Z)- 1- (4- fluorobenzyl)- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Fc1ccc(cc1)CN1C(=O)NC(=O)/C(=C/C=C/c2ccco2)/C1=O

STK537393
Synonyms: 4- (azepan- 1- yl)- 2- (pyridin- 4- yl)quinazoline
Smiles: C1CCCN(CC1)c1nc(nc2c1cccc2)c1ccncc1

STK838979
Synonyms: methyl5- (4- bromophenyl)- 3- chloro- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxylate
Smiles: COC(=O)c1nn2c(c1Cl)nc(cc2C(F)(F)F)c1ccc(cc1)Br

STK838980
Synonyms: 2- (5- methyl- 3,4- dinitro- 1H- pyrazol- 1- yl)- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(Cn1nc(c(c1C)[N+](=O)[O-])[N+](=O)[O-])NCc1cccnc1

STK537396
Synonyms: N- (4- bromophenyl)- 5- (4- ethoxyphenyl)- 7- methylpyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: CCOc1ccc(cc1)c1cc(C)n2c(n1)cc(n2)C(=O)Nc1ccc(cc1)Br

STK838981
Synonyms: N- [(4- methylpyridin- 2- yl)carbamothioyl]furan- 2- carboxamide
Smiles: S=C(NC(=O)c1ccco1)Nc1nccc(c1)C

STK838983
Synonyms: 4,5- diphenyl- 1H- pyrrole- 2,3- dione
Smiles: O=C1C(=O)NC(=C1c1ccccc1)c1ccccc1

STK838984
Synonyms: 8- [(2E)- 2- (4- ethoxybenzylidene)hydrazinyl]- 1,3- dimethyl- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCn1c(N/N=C/c2ccc(cc2)OCC)nc2c1c(=O)n(c(=O)n2C)C

STK537401
Synonyms: 4- chloro- N'- [(1E)- 1- (6- hydroxy- 2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)ethylidene]benzohydrazide
Smiles: Clc1ccc(cc1)C(=O)N/N=C(/c1c(O)[nH]c(=O)[nH]c1=O)\C

STK537410
Synonyms: 2- (2- amino- 1H- benzimidazol- 1- yl)- 1- (4- methoxyphenyl)ethanone
Smiles: COc1ccc(cc1)C(=O)Cn1c(N)nc2c1cccc2

STK537411
Synonyms: 6- ({2- [(5- chloro- 2- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- N- (2- methylphenyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2OC)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK537412
Synonyms: 2,1,3- benzoxadiazole- 5- carboxamide3- oxide
Smiles: [O-][n+]1onc2c1cc(cc2)C(=O)N

STK537413
Synonyms: (2E)- 2- cyano- 2- [2- (4- methoxyphenyl)hydrazinylidene]ethanamide
Smiles: COc1ccc(cc1)N/N=C(/C(=O)N)\C#N

STK838989
Synonyms: 2- {4- [(2,5- dimethoxyphenyl)amino]quinazolin- 2- yl}phenol
Smiles: COc1ccc(c(c1)Nc1nc(nc2c1cccc2)c1ccccc1O)OC

STK537418
Synonyms: 3- amino- 1,1- bis(ethylsulfanyl)- 6,7- dimethyl- 4- phenyl- 4,5- dihydro- 1H- pyrrolo[3,4- c]pyridine- 3a,7a- dicarbonitrile
Smiles: CCSC1(SCC)N=C(C2(C1(C#N)C(=C(C)NC2c1ccccc1)C)C#N)N

STK537425
Synonyms: tert- butyl4- (4- chlorophenyl)- 6- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 5- cyano- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)Cl)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

STK537426
Synonyms: methyl(2Z)- 2- hydroxy- 4- (4- nitrophenyl)- 4- oxobut- 2- enoate
Smiles: COC(=O)/C(=C/C(=O)c1ccc(cc1)[N+](=O)[O-])/O

STK838992
Synonyms: 4- {4- methyl- 6- [2- (morpholin- 4- yl)ethoxy]pyrimidin- 2- yl}morpholine
Smiles: Cc1cc(OCCN2CCOCC2)nc(n1)N1CCOCC1

STK537429
Synonyms: 2- [4- (furan- 2- yl)- 3H- 1,5- benzodiazepin- 2- yl]- 5- methylphenol
Smiles: Cc1ccc(c(c1)O)C1=Nc2ccccc2N=C(C1)c1ccco1

STK838995
Synonyms: 8- (ethylsulfanyl)- 1,3- dimethyl- 7- (2- methylprop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCSc1nc2c(n1CC(=C)C)c(=O)n(c(=O)n2C)C

STK838996
Synonyms: 8- bromo- 7- (2- methoxyethyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COCCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C

STK537432
Synonyms: 4- {4- [(2E)- 2- (2- methoxybenzylidene)hydrazinyl]- 6- methylpyrimidin- 2- yl}morpholine
Smiles: COc1ccccc1/C=N/Nc1cc(C)nc(n1)N1CCOCC1

STK838999
Synonyms: 5- cyano- 6- ({2- [(4- ethoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N- phenyl- 1,4- dihydro- 4,4'- bipyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccncc1

STK537438
Synonyms: N- (4- chlorophenyl)- 5- cyano- 6- ({2- [(4- ethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)CC)NC(=C(C1c1ccco1)C(=O)Nc1ccc(cc1)Cl)C

STK537453
Synonyms: 4- (4- methylpiperazin- 1- yl)- 2- (pyridin- 3- yl)quinazoline
Smiles: CN1CCN(CC1)c1nc(nc2c1cccc2)c1cccnc1

STK839007
Synonyms: (1Z,2E)- N'~1~,N'~2~- dihydroxy- N~1~,N~2~- diphenylethanediimidamide
Smiles: O/N=C(\C(=N\O)\Nc1ccccc1)/Nc1ccccc1

STK839008
Synonyms: 5- methyl- 2- [4- (4- methylphenyl)- 3H- 1,5- benzodiazepin- 2- yl]phenol
Smiles: Cc1ccc(cc1)C1=Nc2ccccc2N=C(C1)c1ccc(cc1O)C

STK839009
Synonyms: N- [2- (morpholin- 4- yl)ethyl]- 5- (thiophen- 2- yl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 3- carboxamide
Smiles: O=C(c1cnn2c1NC(CC2C(F)(F)F)c1cccs1)NCCN1CCOCC1

STK537458
Synonyms: ethyl4- {5- [(1E)- 2- cyano- 3- (diethylamino)- 3- oxoprop- 1- en- 1- yl]furan- 2- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)N(CC)CC)\C#N

STK537462
Synonyms: 2- ({(E)- 2- cyano- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzamide
Smiles: N#C/C(=C\Nc1ccccc1C(=O)N)/c1scc(n1)c1cccc(c1)OC

STK839011
Synonyms: 2- [(E)- 2- (furan- 2- yl)ethenyl]- 6,7- dihydro- 4H,5H- cyclopenta[4,5]thieno[2,3- d][1,3]oxazin- 4- one
Smiles: O=c1oc(/C=C/c2ccco2)nc2c1c1CCCc1s2

STK839013
Synonyms: ethyl2- {[(4- bromo- 5- methyl- 3- nitro- 1H- pyrazol- 1- yl)acetyl]amino}- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])sc2c1CCC(C2)C

STK839016
Synonyms: 2- (4- chloro- 5- methyl- 3- nitro- 1H- pyrazol- 1- yl)- N- (3- cyano- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)acetamide
Smiles: N#Cc1c(NC(=O)Cn2nc(c(c2C)Cl)[N+](=O)[O-])sc2c1CCC(C2)C

STK537469
Synonyms: 2- ({(E)- 2- cyano- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzamide
Smiles: N#C/C(=C\Nc1ccccc1C(=O)N)/c1scc(n1)c1cc2ccccc2oc1=O

STK537470
Synonyms: ethyl6- bromo- 1- ethyl- 5- methoxy- 2- methyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OC)c(c2)Br)CC

STK537471
Synonyms: (4Z)- 4- [4- (propan- 2- yl)benzylidene]- 2- (thiophen- 2- yl)- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C\c1ccc(cc1)C(C)C)c1cccs1

STK839019
Synonyms: 4- methoxy- 2- [4- (thiophen- 2- yl)- 3H- 1,5- benzodiazepin- 2- yl]phenol
Smiles: COc1ccc(c(c1)C1=Nc2ccccc2N=C(C1)c1cccs1)O

STK537472
Synonyms: 5- methoxy- 1- (4- methoxyphenyl)- 2- methyl- 1H- benzo[g]indole- 3- carboxylicacid
Smiles: COc1ccc(cc1)n1c2c(c(c1C)C(=O)O)cc(c1c2cccc1)OC

STK839021
Synonyms: 4- (4- ethylphenyl)- 2- (hexylsulfanyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: CCCCCCSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)CC

STK537485
Synonyms: 2- [4- (4- chlorophenoxy)- 6- methylpyrimidin- 2- yl]phenol
Smiles: Clc1ccc(cc1)Oc1cc(C)nc(n1)c1ccccc1O

STK537490
Synonyms: 8- bromo- 4- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}- 5H- pyrimido[5,4- b]indole
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cccc(c1)C(F)(F)F

STK537496
Synonyms: 1- (3,6- dimethyl- 1,4- dioxidoquinoxalin- 2- yl)ethanone
Smiles: Cc1ccc2c(c1)[n+]([O-])c(c([n+]2[O-])C(=O)C)C

STK839030
Synonyms: N- (3- cyano- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)- 2- (5- methyl- 3- nitro- 1H- pyrazol- 1- yl)acetamide
Smiles: N#Cc1c(NC(=O)Cn2nc(cc2C)[N+](=O)[O-])sc2c1CCC(C2)C

STK839031
Synonyms: 5- (4- fluorophenyl)- N- (furan- 2- ylmethyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: Fc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)NCc1ccco1

STK839032
Synonyms: 5,7- dimethyl- N'- [(1E)- 1- phenylpropylidene][1,2,4]triazolo[1,5- a]pyrimidine- 2- carbohydrazide
Smiles: CC/C(=N\NC(=O)c1nn2c(n1)nc(cc2C)C)/c1ccccc1

STK839036
Synonyms: 3- bromo- N- (4- ethylphenyl)- 5- phenyl- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: CCc1ccc(cc1)NC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccccc1

STK537499
Synonyms: 9- (3- methylbutyl)- 9H- carbazole
Smiles: CC(CCn1c2ccccc2c2c1cccc2)C

STK537500
Synonyms: 4- [(2- hydroxyethyl)(propan- 2- yl)amino]- 1,1- diphenylbut- 2- yn- 1- ol
Smiles: OCCN(C(C)C)CC#CC(c1ccccc1)(c1ccccc1)O

STK537501
Synonyms: ethyl(8S,8aR,11aS,11bS)- 10- [2- (methoxycarbonyl)phenyl]- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 8- carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccccc1C(=O)OC

STK537503
Synonyms: 6- ({2- [(5- chloro- 2- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- N,4- diphenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2OC)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1)C

STK839042
Synonyms: ethyl{[3- cyano- 4- (4- ethoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)OCC

STK537507
Synonyms: 9- methyl- 2- (phenoxymethyl)- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1ccccc1

STK537511
Synonyms: 5- (4- methoxyphenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl(1E)- N- (4- bromophenyl)- 2- oxopropanehydrazonothioate
Smiles: COc1ccc(cc1)c1nnc(n1C)S/C(=N/Nc1ccc(cc1)Br)/C(=O)C

STK839044
Synonyms: [4- (4- fluorophenyl)piperazin- 1- yl][5- (4- methylphenyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 2- yl]methanone
Smiles: Cc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccc(cc1)F

STK839045
Synonyms: 2- (benzylsulfanyl)- 4- methyl- 6- phenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(C)cc(nc1SCc1ccccc1)c1ccccc1

STK839047
Synonyms: ethyl4- {5- [(1E)- 2- cyano- 3- (morpholin- 4- yl)- 3- oxoprop- 1- en- 1- yl]furan- 2- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)N1CCOCC1)\C#N

STK537518
Synonyms: N- (4- chlorophenyl)- 5- cyano- 6- ({2- [(4- ethoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydro- 4,4'- bipyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccc(cc1)Cl)c1ccncc1

STK537519
Synonyms: [5- (methylsulfanyl)- 2- thioxo- 1,3,4- thiadiazol- 3(2H)- yl]methylcarbamimidothioate
Smiles: CSc1nn(c(=S)s1)CSC(=N)N

STK537520
Synonyms: dimethyl(2- nitro- 3- oxo- 1,3- diphenylpropyl)propanedioate
Smiles: COC(=O)C(C(C(C(=O)c1ccccc1)[N+](=O)[O-])c1ccccc1)C(=O)OC

STK839051
Synonyms: spiro[cyclopropane- 1,9'- fluorene]- 2- carboxamide
Smiles: NC(=O)C1CC21c1ccccc1c1c2cccc1

STK537521
Synonyms: N- [(1Z)- 1- (benzylsulfanyl)- 3- (2- chlorophenyl)- 2- cyano- 5- oxo- 5- phenylpent- 1- en- 1- yl]benzamide
Smiles: N#C/C(=C(/NC(=O)c1ccccc1)\SCc1ccccc1)/C(c1ccccc1Cl)CC(=O)c1ccccc1

STK537523
Synonyms: ethylN- 1,3- benzothiazol- 2- yl- 3,3,3- trifluoro- 2- {[(propan- 2- yloxy)carbonyl]amino}alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1nc2c(s1)cccc2)NC(=O)OC(C)C

STK839057
Synonyms: 3- amino- N- (2,5- dimethylphenyl)- 4- (5- methylfuran- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Cc1ccc(o1)c1c2CCCCc2nc2c1c(N)c(s2)C(=O)Nc1cc(C)ccc1C

STK839059
Synonyms: ethyl(4E)- 2,2- diethyl- 3- oxo- 5- phenylpent- 4- enoate
Smiles: CCC(C(=O)/C=C/c1ccccc1)(C(=O)OCC)CC

STK537531
Synonyms: N- (3- azido- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)- N- cyclohexylacetamide
Smiles: [N-]=[N+]=NC1=C(N(C2CCCCC2)C(=O)C)C(=O)c2c(C1=O)cccc2

STK537532
Synonyms: 3- (3- bromophenyl)- 5- (phenylamino)- 3H- anthra[1,2- d][1,2,3]triazole- 6,11- dione
Smiles: Brc1cccc(c1)n1nnc2c1cc(Nc1ccccc1)c1c2C(=O)c2c(C1=O)cccc2

STK537535
Synonyms: 9- (1- ethoxypentyl)- 9H- carbazole
Smiles: CCCCC(n1c2ccccc2c2c1cccc2)OCC

STK537536
Synonyms: N- {2- [2- (2- ethyl- 2- hydroxybutanoyl)- 1- phenylhydrazinyl]- 2- oxoethyl}- 4- methylbenzenesulfonamide(non- preferredname)
Smiles: CCC(C(=O)NN(c1ccccc1)C(=O)CNS(=O)(=O)c1ccc(cc1)C)(CC)O

STK839061
Synonyms: 5- [(E)- (2- carbamothioylhydrazinylidene)methyl]- 4- (3- ethylpyridinium- 1- yl)- 1,3- thiazol- 2- olate
Smiles: CCc1ccc[n+](c1)c1nc(sc1/C=N/NC(=S)N)[O-]

STK839065
Synonyms: methyl2- {[(4- bromo- 5- methyl- 3- nitro- 1H- pyrazol- 1- yl)acetyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])sc2c1CCCC2

STK537546
Synonyms: N- {4,5- dimethoxy- 2- [(5- methylfuran- 2- yl)(phenyl)methyl]phenyl}- 4- methylbenzenesulfonamide
Smiles: COc1cc(c(cc1OC)NS(=O)(=O)c1ccc(cc1)C)C(c1ccc(o1)C)c1ccccc1

STK839067
Synonyms: 2- {[3- cyano- 4- (naphthalen- 1- yl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1cccc2c1cccc2

STK537549
Synonyms: N- [(1Z)- 1- ({2- [(4- chloro- 2,5- dimethoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 3- (2- chlorophenyl)- 2- cyano- 5- oxo- 5- phenylpent- 1- en- 1- yl]benzamide
Smiles: N#C/C(=C(/NC(=O)c1ccccc1)\SCC(=O)Nc1cc(OC)c(cc1OC)Cl)/C(c1ccccc1Cl)CC(=O)c1ccccc1

STK537550
Synonyms: 2- benzyl- N'- ethyl- 2- hydroxy- 3- phenylpropanehydrazide
Smiles: CCNNC(=O)C(Cc1ccccc1)(Cc1ccccc1)O

STK537551
Synonyms: 4- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (5- methyl- 1,3,4- thiadiazol- 2- yl)butanamide
Smiles: O=C(Nc1nnc(s1)C)CCCN1C(=O)c2c(C1=O)cccc2

STK537557
Synonyms: (1E,2E,4E,5E)- N,N',N'',N'''- tetrahydroxy- 3,3,6,6- tetramethoxycyclohexane- 1,2,4,5- tetraimine
Smiles: COC1(OC)/C(=N/O)/C(=N\O)/C(/C(=N/O)/C/1=N\O)(OC)OC

STK537564
Synonyms: methyl5- chloro- 3- {[(2,6- dimethylmorpholin- 4- yl)acetyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CC(C)OC(C1)C)cc(cc2)Cl

STK537565
Synonyms: ethyl3- [(E)- (3,5- dimethylpiperidin- 1- yl)diazenyl]- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/N=N/N1CC(C)CC(C1)C)cc(cc2)OC

STK839077
Synonyms: ethyl2- {[(4- chloro- 5- methyl- 3- nitro- 1H- pyrazol- 1- yl)acetyl]amino}- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Cl)[N+](=O)[O-])sc2c1CCC(C2)C

STK839080
Synonyms: 4- methyl- N'- [(E)- (1- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]benzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)NN/C=C/1\c2ccccc2N(C1=O)C

STK839081
Synonyms: N'- [(2Z)- 2- hydroxy- 4- oxo- 4- phenylbut- 2- enoyl]- 2- nitrobenzohydrazide
Smiles: O/C(=C\C(=O)c1ccccc1)/C(=O)NNC(=O)c1ccccc1[N+](=O)[O-]

STK839086
Synonyms: 8- (ethylamino)- 1,3- dimethyl- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCn1c(NCC)nc2c1c(=O)n(c(=O)n2C)C

STK537579
Synonyms: 2,2- bis(4- chlorophenyl)- 2- hydroxy- N'- [1H- indol- 3- yl(oxo)acetyl]acetohydrazide
Smiles: Clc1ccc(cc1)C(c1ccc(cc1)Cl)(C(=O)NNC(=O)C(=O)c1c[nH]c2c1cccc2)O

STK537580
Synonyms: 3- (3- tert- butyl- 1- methyl- 7- oxo- 6,7- dihydro- 1H- pyrazolo[4,3- d]pyrimidin- 5- yl)- 4- ethoxy- N- phenylbenzenesulfonamide
Smiles: CCOc1ccc(cc1c1nc2c(c(=O)[nH]1)n(nc2C(C)(C)C)C)S(=O)(=O)Nc1ccccc1

STK537584
Synonyms: methyl2- (1,3- benzothiazol- 2- ylamino)- 3,3,3- trifluoro- N- [(2- methylphenyl)carbonyl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1C)Nc1nc2c(s1)cccc2

STK537591
Synonyms: 4- {4- methyl- 6- [(2E)- 2- (2- nitrobenzylidene)hydrazinyl]pyrimidin- 2- yl}morpholine
Smiles: Cc1cc(N/N=C/c2ccccc2[N+](=O)[O-])nc(n1)N1CCOCC1

STK537595
Synonyms: 2- (4- chloro- 5- methyl- 3- nitro- 1H- pyrazol- 1- yl)- N- (4- sulfamoylphenyl)acetamide
Smiles: O=C(Cn1nc(c(c1C)Cl)[N+](=O)[O-])Nc1ccc(cc1)S(=O)(=O)N

STK537599
Synonyms: 6- ({2- [(3- chloro- 4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- N- (4- chlorophenyl)- 5- cyano- 2- methyl- 4- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)C)NC(=C(C1c1ccccc1)C(=O)Nc1ccc(cc1)Cl)C

STK537600
Synonyms: 9- [4- (piperidin- 1- yl)but- 2- yn- 1- yl]- 9H- fluoren- 9- ol
Smiles: OC1(CC#CCN2CCCCC2)c2ccccc2c2c1cccc2

STK839094
Synonyms: N- (1,3- benzodioxol- 5- yl)- 5- (4- methoxyphenyl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: COc1ccc(cc1)C1Nc2cc(nn2C(C1)C(F)(F)F)C(=O)Nc1ccc2c(c1)OCO2

STK839095
Synonyms: (2E)- 2- [(1E)- 4- hydroxy- 4- methyl- 1- phenylpent- 1- en- 3- ylidene]hydrazinecarboxamide
Smiles: NC(=O)N/N=C(/C(O)(C)C)\C=C\c1ccccc1

STK537607
Synonyms: 2- (2,6- dimethoxyphenoxy)- N'- [(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)COc2c(OC)cccc2OC)ccc1O

STK839096
Synonyms: N- (propan- 2- yl)- 2- (pyridin- 3- yl)quinazolin- 4- amine
Smiles: CC(Nc1nc(nc2c1cccc2)c1cccnc1)C

STK537612
Synonyms: 9- [4- (dimethylamino)but- 2- yn- 1- yl]- 9H- fluoren- 9- ol
Smiles: CN(CC#CCC1(O)c2ccccc2c2c1cccc2)C

STK537615
Synonyms: 3- acetyl- 2- methyl- 1- benzofuran- 5- ylbiphenyl- 4- carboxylate
Smiles: O=C(c1ccc(cc1)c1ccccc1)Oc1ccc2c(c1)c(C(=O)C)c(o2)C

STK839097
Synonyms: 1- benzyl- N- phenyl- 1H- benzimidazol- 2- amine
Smiles: c1ccc(cc1)Nc1nc2c(n1Cc1ccccc1)cccc2

STK839098
Synonyms: methyl2- ({[5- (4- methoxyphenyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 2- yl]carbonyl}amino)- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3C(F)(F)F)c2ccc(cc2)OC)sc2c1CCC(C2)C

STK537620
Synonyms: 1,3,7- trimethyl- 8- (4- methylpiperazin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN1CCN(CC1)c1nc2c(n1C)c(=O)n(c(=O)n2C)C

STK537621
Synonyms: 5- (4- fluorophenyl)- 7- methylpyrazolo[1,5- a]pyrimidine- 2- carboxylicacid
Smiles: Fc1ccc(cc1)c1cc(C)n2c(n1)cc(n2)C(=O)O

STK537622
Synonyms: 5- cyano- 2- methyl- 6- {[2- (naphthalen- 1- ylamino)- 2- oxoethyl]sulfanyl}- N- phenyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc3c2cccc3)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

STK537625
Synonyms: N- (4- ethoxyphenyl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: CCOc1ccc(cc1)Nc1ccc2c(c1[N+](=O)[O-])non2

STK537627
Synonyms: 2- {4- [(2- aminoethyl)amino]- 6- methylpyrimidin- 2- yl}phenol
Smiles: NCCNc1cc(C)nc(n1)c1ccccc1O

STK537630
Synonyms: N- (3- chloro- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)- N- (2- phenylethyl)acetamide
Smiles: CC(=O)N(C1=C(Cl)C(=O)c2c(C1=O)cccc2)CCc1ccccc1

STK537632
Synonyms: 2- (4- cyanophenoxy)- 6- phenylpyrimidine- 4- carbonitrile
Smiles: N#Cc1nc(Oc2ccc(cc2)C#N)nc(c1)c1ccccc1

STK537634
Synonyms: 2- {[6- amino- 4- (4- bromophenyl)- 3,5- dicyanopyridin- 2- yl]sulfanyl}- N- (4- bromophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)Br)nc(c(c1c1ccc(cc1)Br)C#N)N

STK537635
Synonyms: 5- chloro- 3- methyl- N- (2- methylphenyl)- 1- phenyl- 1H- pyrazole- 4- carboxamide
Smiles: Cc1ccccc1NC(=O)c1c(C)nn(c1Cl)c1ccccc1

STK839112
Synonyms: ethyl5- hydroxy- 2- methyl- 1- (2- methylpropyl)- 1H- benzo[g]indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(O)c1c2cccc1)CC(C)C

STK839113
Synonyms: 4- [4- methyl- 5- nitro- 6- (1H- pyrazol- 1- yl)pyrimidin- 2- yl]morpholine
Smiles: [O-][N+](=O)c1c(C)nc(nc1n1cccn1)N1CCOCC1

STK537644
Synonyms: 2- butyl- N'- (2,4- dimethylphenyl)- 2- hydroxyhexanehydrazide
Smiles: CCCCC(C(=O)NNc1ccc(cc1C)C)(CCCC)O

STK537646
Synonyms: 2- (4- cyclohexylpiperazin- 1- yl)- 1- (1H- indol- 3- yl)propan- 1- one
Smiles: CC(C(=O)c1c[nH]c2c1cccc2)N1CCN(CC1)C1CCCCC1

STK537648
Synonyms: methyl5- [(2E)- 3- (2,4- dichlorophenyl)prop- 2- enoyl]- 2,4- dimethyl- 1H- pyrrole- 3- carboxylate
Smiles: COC(=O)c1c(C)[nH]c(c1C)C(=O)/C=C/c1ccc(cc1Cl)Cl

STK537650
Synonyms: 4,5- dibromo- 1- methyl- 2- [(4- nitrophenyl)sulfonyl]- 1H- imidazole
Smiles: Brc1c(Br)nc(n1C)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

STK537655
Synonyms: 2- (4- chloro- 3- nitrophenyl)- 2- oxoethyl3- (1H- indol- 3- yl)propanoate
Smiles: O=C(CCc1c[nH]c2c1cccc2)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl

STK839118
Synonyms: 2- [(6- nitro- 1,3- benzothiazol- 2- yl)sulfanyl]- N- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)acetamide
Smiles: O=C(NC12CC3CC(C2)CC(C1)C3)CSc1nc2c(s1)cc(cc2)[N+](=O)[O-]

STK537663
Synonyms: 1- (5- methoxy- 1H- indol- 3- yl)- 2- (4- phenylpiperazin- 1- yl)propan- 1- one
Smiles: COc1ccc2c(c1)c(c[nH]2)C(=O)C(N1CCN(CC1)c1ccccc1)C

STK537669
Synonyms: N- benzyl- 11- chloro- N- phenyl- 7- (trifluoromethyl)- 5,6- dihydrobenzo[h]pyrazolo[5,1- b]quinazoline- 10- carboxamide
Smiles: O=C(c1nn2c(c1Cl)nc1c(c2C(F)(F)F)CCc2c1cccc2)N(c1ccccc1)Cc1ccccc1

STK839119
Synonyms: 3- methyl- 4- nitro- N- (2- phenylethyl)- 1H- pyrazol- 5- amine
Smiles: [O-][N+](=O)c1c(NCCc2ccccc2)[nH]nc1C

STK839120
Synonyms: 2- (6- amino- 7- oxo- 7H- benzo[e]perimidin- 2- yl)benzonitrile
Smiles: N#Cc1ccccc1c1nc2ccc(c3c2c(n1)c1ccccc1C3=O)N

STK839121
Synonyms: butyl{[4- (4- chlorophenyl)- 3- cyano- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetate
Smiles: CCCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)Cl

STK537672
Synonyms: 2- (1,3,4- thiadiazol- 2- yl)- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: O=c1c2cccc3c2c(c(=O)n1c1nncs1)ccc3

STK537674
Synonyms: 8- bromo- 4- [4- (2,3- dimethylphenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cccc(c1C)C

STK537677
Synonyms: methyl2- ({3- ethoxy- 1,1,1- trifluoro- 3- oxo- 2- [(phenylcarbonyl)amino]propan- 2- yl}amino)- 6- methyl- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxylate
Smiles: CCOC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1)Nc1sc2c(c1C(=O)OC)CCN(C2)C

STK839125
Synonyms: 1- (1- cyclohexyl- 5- hydroxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: Oc1ccc2c(c1)c(C(=O)C)c(n2C1CCCCC1)C

STK839129
Synonyms: 2- hydroxy- 2,2- bis(4- methylphenyl)- N- (morpholin- 4- yl)acetamide
Smiles: O=C(C(c1ccc(cc1)C)(c1ccc(cc1)C)O)NN1CCOCC1

STK839130
Synonyms: 5- (4- bromophenyl)- N- (tetrahydrofuran- 2- ylmethyl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 3- carboxamide
Smiles: Brc1ccc(cc1)C1CC(n2c(N1)c(cn2)C(=O)NCC1CCCO1)C(F)(F)F

STK537683
Synonyms: 3- amino- 4- formyl- 2- (2- oxo- 2- phenylethyl)cyclopent- 3- ene- 1,1,2- tricarbonitrile
Smiles: O=CC1=C(N)C(C(C1)(C#N)C#N)(C#N)CC(=O)c1ccccc1

STK839131
Synonyms: 4- (4- benzylpiperidin- 1- yl)- 2- (pyridin- 4- yl)quinazoline
Smiles: c1ccc(cc1)CC1CCN(CC1)c1nc(nc2c1cccc2)c1ccncc1

STK537685
Synonyms: methyl2- amino- 3- cyano- 6,7- dihydro- 5H- cyclopenta[b]pyridine- 4- carboxylate
Smiles: COC(=O)c1c(C#N)c(N)nc2c1CCC2

STK537688
Synonyms: 4- (4- benzylpiperidin- 1- yl)- 8- fluoro- 5H- pyrimido[5,4- b]indole
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCC(CC1)Cc1ccccc1

STK537700
Synonyms: 1- [5- (ethylsulfanyl)- 1,3,4- thiadiazol- 2- yl]- 3- (1,1,1,3,3,3- hexafluoropropan- 2- yl)urea
Smiles: CCSc1nnc(s1)NC(=O)NC(C(F)(F)F)C(F)(F)F

STK839138
Synonyms: N'- [(E)- (6- bromo- 1,3- benzodioxol- 5- yl)methylidene]- 1H- pyrazole- 5- carbohydrazide
Smiles: Brc1cc2OCOc2cc1/C=N/NC(=O)c1ccn[nH]1

STK537703
Synonyms: N- [2- (diethylamino)ethyl]- N'- (5- methyl- 1,3,4- thiadiazol- 2- yl)ethanediamide
Smiles: CCN(CCNC(=O)C(=O)Nc1nnc(s1)C)CC

STK537705
Synonyms: (2Z,2'Z)- 2,2'- (6Z,14Z)- nonadecane- 6,14- diylidenedihydrazinecarboxamide
Smiles: CCCCC/C(=N/NC(=O)N)/CCCCCCC/C(=N\NC(=O)N)/CCCCC

STK537706
Synonyms: methyl6a- (4- chlorophenyl)- 4,6- dioxo- 5- phenyl- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1ccccc1)c1ccc(cc1)Cl

STK839147
Synonyms: N- [(E)- (4- nitrophenyl)methylidene]quinoxalin- 6- amine
Smiles: [O-][N+](=O)c1ccc(cc1)/C=N/c1ccc2c(c1)nccn2

STK839148
Synonyms: 2,6- dinitro- 4- (trifluoromethyl)aniline
Smiles: [O-][N+](=O)c1cc(cc(c1N)[N+](=O)[O-])C(F)(F)F

STK537711
Synonyms: 2,2'- [(1,4- dioxobutane- 1,4- diyl)diimino]bis(4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylicacid)
Smiles: O=C(Nc1sc2c(c1C(=O)O)CCCC2)CCC(=O)Nc1sc2c(c1C(=O)O)CCCC2

STK839152
Synonyms: 2- amino- 6- (methylsulfanyl)- 4- [4- (propan- 2- yl)phenyl]pyridine- 3,5- dicarbonitrile
Smiles: CSc1nc(N)c(c(c1C#N)c1ccc(cc1)C(C)C)C#N

STK537714
Synonyms: 5- cyano- 4- (furan- 2- yl)- N- (2- methoxyphenyl)- 2- methyl- 6- ({2- oxo- 2- [(4- phenoxyphenyl)amino]ethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK537715
Synonyms: ethyl2- [(2,4- difluorophenyl)amino]- 3,3,3- trifluoro- N- [(2- fluorophenyl)carbonyl]alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1ccc(cc1F)F)NC(=O)c1ccccc1F

STK537716
Synonyms: 2- {4- [(3,4- difluorophenyl)amino]- 6- methylpyrimidin- 2- yl}phenol
Smiles: Cc1cc(Nc2ccc(c(c2)F)F)nc(n1)c1ccccc1O

STK537717
Synonyms: 8- bromo- 3- ({(E)- [(1R)- 2,4,6- trimethylcyclohex- 3- en- 1- yl]methylidene}amino)- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: CC1=CC([C@@H](C(C1)C)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Br)C

STK839154
Synonyms: 2- {[5- acetyl- 4- (2- chlorophenyl)- 3- cyano- 6- methyl- 1,4- dihydropyridin- 2- yl]sulfanyl}- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)C)c1ccccc1Cl

STK839155
Synonyms: N,N'- bis(2,4- dimethylphenyl)- 1- methyl- 1H- pyrazole- 3,5- dicarboxamide
Smiles: Cc1ccc(c(c1)C)NC(=O)c1cc(n(n1)C)C(=O)Nc1ccc(cc1C)C

STK537719
Synonyms: N- benzyl- 8- chloro- 5,6- dihydropyrimido[4,5- b][1,4]benzoxazepin- 4- amine
Smiles: Clc1ccc2c(c1)CNc1c(O2)ncnc1NCc1ccccc1

STK537731
Synonyms: N- [bis(4- chlorophenyl)- lambda~4~- sulfanylidene]- 4- chlorobenzenesulfonamide
Smiles: Clc1ccc(cc1)/S(=N/S(=O)(=O)c1ccc(cc1)Cl)/c1ccc(cc1)Cl

STK839161
Synonyms: 4- chloro- 2- [5- (2- nitrophenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: Clc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1[N+](=O)[O-])O

STK537737
Synonyms: 3- nitro[1,2,4]triazolo[5,1- c][1,2,4]triazin- 4- amine
Smiles: [O-][N+](=O)c1nnc2n(c1N)ncn2

STK839163
Synonyms: 5- (1,3- benzodioxol- 5- yl)- N- (2- chloropyridin- 3- yl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(c1)NC(CC2C(F)(F)F)c1ccc2c(c1)OCO2)Nc1cccnc1Cl

STK537743
Synonyms: N- benzyl- 4- methyl- 6- {(2E)- 2- [1- (pyridin- 4- yl)ethylidene]hydrazinyl}pyrimidin- 2- amine
Smiles: Cc1cc(N/N=C(/c2ccncc2)\C)nc(n1)NCc1ccccc1

STK839164
Synonyms: propan- 2- yl2- {[(4- bromo- 5- methyl- 3- nitro- 1H- pyrazol- 1- yl)acetyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CC(OC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])sc2c1CCCC2)C

STK537748
Synonyms: ethyl{[4- amino- 5- (1,3- thiazol- 2- ylcarbamoyl)- 1,3- thiazol- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc(c(s1)C(=O)Nc1nccs1)N

STK537751
Synonyms: methyl2- ({2- [(ethoxycarbonyl)amino]- 1,1,1,3,3,3- hexafluoropropan- 2- yl}amino)- 6- methyl- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxylate
Smiles: CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1sc2c(c1C(=O)OC)CCN(C2)C

STK537756
Synonyms: methyl2- ({[3- ethoxy- 1,1,1- trifluoro- 3- oxo- 2- (2,2,2- trifluoroethoxy)propan- 2- yl]carbamoyl}amino)- 4- ethyl- 5- methylthiophene- 3- carboxylate
Smiles: CCOC(=O)C(C(F)(F)F)(NC(=O)Nc1sc(c(c1C(=O)OC)CC)C)OCC(F)(F)F

STK537757
Synonyms: 1- [(E)- {2- [6- methyl- 2- (morpholin- 4- yl)pyrimidin- 4- yl]hydrazinylidene}methyl]naphthalen- 2- ol
Smiles: Cc1cc(N/N=C/c2c(O)ccc3c2cccc3)nc(n1)N1CCOCC1

STK537758
Synonyms: 2- hydroxy- N'- methyl- N',2,2- triphenylacetohydrazide
Smiles: CN(c1ccccc1)NC(=O)C(c1ccccc1)(c1ccccc1)O

STK839171
Synonyms: tert- butyl4- (4- chlorophenyl)- 5- cyano- 6- ({2- [(4- ethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)CC)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

STK839173
Synonyms: N- (3- cyano- 5,6,7,8- tetrahydro- 4H- cyclohepta[b]thiophen- 2- yl)- 2- (3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)acetamide
Smiles: N#Cc1c(NC(=O)Cn2nc(c(c2C)[N+](=O)[O-])C)sc2c1CCCCC2

STK537762
Synonyms: (2Z)- 4- oxo- 4- phenyl- 2- {[3- (trifluoromethyl)phenyl]amino}but- 2- enoicacid
Smiles: OC(=O)/C(=C/C(=O)c1ccccc1)/Nc1cccc(c1)C(F)(F)F

STK537764
Synonyms: 8- (butan- 2- ylamino)- 3- methyl- 7- pentyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCn1c(NC(CC)C)nc2c1c(=O)[nH]c(=O)n2C

STK537766
Synonyms: 3- {[4- (pyridin- 2- yl)piperazin- 1- yl]methyl}- 1H- indole
Smiles: c1ccc(nc1)N1CCN(CC1)Cc1c[nH]c2c1cccc2

STK537770
Synonyms: 4- bromo- 2- (7,8- dimethyl- 1,5- dihydro- 2,4- benzodithiepin- 3- yl)naphthalen- 1- ol
Smiles: Cc1cc2CSC(SCc2cc1C)c1cc(Br)c2c(c1O)cccc2

STK839180
Synonyms: 2- [(2- methoxyphenyl)amino]- 4,6- dimethylpyridine- 3- carboxamide
Smiles: COc1ccccc1Nc1nc(C)cc(c1C(=O)N)C

STK839184
Synonyms: 3- amino- 4- (5- methylfuran- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Cc1ccc(o1)c1c2CCCCc2nc2c1c(N)c(s2)C(=O)N

STK839185
Synonyms: (4Z)- 4- (2- ethoxybenzylidene)- 2- (2- fluorophenyl)- 1,3- oxazol- 5(4H)- one
Smiles: CCOc1ccccc1/C=C/1\N=C(OC1=O)c1ccccc1F

STK839190
Synonyms: 2- butyl- 2- hydroxy- N'- [(3Z)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]hexanehydrazide
Smiles: CCCCC(C(=O)N/N=C/1\C(=O)Nc2c1cccc2)(CCCC)O

STK839191
Synonyms: 2- (4- methoxyphenyl)- 6- (morpholin- 4- yl)- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: COc1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)ccc3N1CCOCC1

STK537782
Synonyms: N- (6- tert- butyl- 3- cyano- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)- 5- (thiophen- 2- yl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: N#Cc1c(NC(=O)c2nn3c(c2)NC(CC3C(F)(F)F)c2cccs2)sc2c1CCC(C2)C(C)(C)C

STK537787
Synonyms: 3- amino- 4- phenyl- 5,6,7,8- tetrahydro- 3aH- spiro[cyclopenta[b]pyrrolo[3,4- d]pyridine- 1,2'- [1,3]dioxolane]- 3a,8b(4H)- dicarbonitrile
Smiles: N#CC12C(=NC3(C2(C#N)C2=C(NC1c1ccccc1)CCC2)OCCO3)N

STK537788
Synonyms: 3'- (4- methoxyphenyl)- 2'H- spiro[indole- 3,4'- [1,3]thiazolidine]- 2,2'(1H)- dione
Smiles: COc1ccc(cc1)N1C(=O)SCC21C(=O)Nc1c2cccc1

STK537789
Synonyms: [5- hydroxy- 2- methyl- 1- (4- methylphenyl)- 1H- indol- 3- yl](phenyl)methanone
Smiles: Oc1ccc2c(c1)c(C(=O)c1ccccc1)c(n2c1ccc(cc1)C)C

STK839192
Synonyms: N- (3- acetylphenyl)- 5- (4- bromophenyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: Brc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)Nc1cccc(c1)C(=O)C

STK537796
Synonyms: 3- acetyl- 1- (4- bromophenyl)- 5- (3- chlorophenyl)- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: Brc1ccc(cc1)N1N=C(C2C1C(=O)N(C2=O)c1cccc(c1)Cl)C(=O)C

STK839196
Synonyms: methyl5- cyano- 6- (ethylsulfanyl)- 4- (2- methylphenyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: CCSC1=C(C#N)C(C(C(=O)N1)C(=O)OC)c1ccccc1C

STK839198
Synonyms: 5- acetyl- 4- (4- chlorophenyl)- 6- methyl- 2- (methylsulfanyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SC)nc(c(c1c1ccc(cc1)Cl)C(=O)C)C

STK537801
Synonyms: 4- [(E)- {2- [6- methyl- 2- (morpholin- 4- yl)pyrimidin- 4- yl]hydrazinylidene}methyl]benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)/C=N/Nc1cc(C)nc(n1)N1CCOCC1

STK537806
Synonyms: (4Z)- 4- [(1- acetyl- 1H- indol- 3- yl)methylidene]- 2- (4- bromophenyl)- 1,3- oxazol- 5(4H)- one
Smiles: Brc1ccc(cc1)C1=N/C(=C\c2cn(c3c2cccc3)C(=O)C)/C(=O)O1

STK537807
Synonyms: N'- [(E)- (5- hydroxy- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 4- methylbenzohydrazide
Smiles: Cc1ccc(cc1)C(=O)N/N=C/c1c(C)nn(c1O)c1ccccc1

STK839201
Synonyms: (2E)- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [2- (trifluoromethyl)phenyl]prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccccc1C(F)(F)F)/c1scc(n1)c1cc2ccccc2oc1=O

STK537811
Synonyms: (4Z)- 4- [2,4- bis(benzyloxy)benzylidene]- 2- (3- fluorophenyl)- 1,3- oxazol- 5(4H)- one
Smiles: Fc1cccc(c1)C1=N/C(=C\c2ccc(cc2OCc2ccccc2)OCc2ccccc2)/C(=O)O1

STK839205
Synonyms: N- benzyl- 2- (5- methyl- 3,4- dinitro- 1H- pyrazol- 1- yl)acetamide
Smiles: O=C(Cn1nc(c(c1C)[N+](=O)[O-])[N+](=O)[O-])NCc1ccccc1

STK537814
Synonyms: 2- (4- methyl- 6- propoxypyrimidin- 2- yl)phenol
Smiles: CCCOc1cc(C)nc(n1)c1ccccc1O

STK839210
Synonyms: 3- amino- N- (3- methoxyphenyl)- 4- (5- methylfuran- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: COc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1ccc(o1)C)c1c(n2)CCCC1

STK537822
Synonyms: 5- (4- methoxyphenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl(1E)- N- (3- methylphenyl)- 2- oxopropanehydrazonothioate
Smiles: COc1ccc(cc1)c1nnc(n1C)S/C(=N/Nc1cccc(c1)C)/C(=O)C

STK537824
Synonyms: 4- (2- chlorophenyl)- 6- hydroxy- 2- [(naphthalen- 1- ylmethyl)sulfanyl]- 5- (thiophen- 2- ylcarbonyl)- 6- (trifluoromethyl)- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCc2cccc3c2cccc3)NC(C(C1c1ccccc1Cl)C(=O)c1cccs1)(O)C(F)(F)F

STK537828
Synonyms: 4- (1H- benzotriazol- 1- yl)- 3,5- dinitrobenzoicacid
Smiles: [O-][N+](=O)c1cc(cc(c1n1nnc2c1cccc2)[N+](=O)[O-])C(=O)O

STK537829
Synonyms: ethyl(8S,8aR,11aS,11bS)- 10- (4- fluorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 8- carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccc(cc1)F

STK839215
Synonyms: 4- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (5- propyl- 1,3,4- thiadiazol- 2- yl)butanamide
Smiles: CCCc1nnc(s1)NC(=O)CCCN1C(=O)c2c(C1=O)cccc2

STK537835
Synonyms: N- {2- [(2E)- 2- (2- hydroxy- 3- methoxy- 5- nitrobenzylidene)hydrazinyl]- 1- (4- hydroxyphthalazin- 1- yl)- 2- oxoethyl}benzamide
Smiles: COc1cc(cc(c1O)/C=N/NC(=O)C(c1nnc(c2c1cccc2)O)NC(=O)c1ccccc1)[N+](=O)[O-]

STK537841
Synonyms: 5- cyano- 6- ({2- [(2,5- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- N- (2- methoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(C)ccc2C)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK839218
Synonyms: methyl(5E)- 5- (4- hydroxybenzylidene)- 2- methyl- 1- (4- methylphenyl)- 4- oxo- 4,5- dihydro- 1H- pyrrole- 3- carboxylate
Smiles: COC(=O)C1=C(C)N(/C(=C/c2ccc(cc2)O)/C1=O)c1ccc(cc1)C

STK839220
Synonyms: 2- methoxyethyl5- [2- (4- bromophenyl)- 2- oxoethoxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccc(cc1)Br)cc2

STK537848
Synonyms: (2Z)- 2- (4,5- dimethoxy- 2- nitrophenyl)- 3- (2- methoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccccc1OC)/c1cc(OC)c(cc1[N+](=O)[O-])OC

STK839222
Synonyms: N- cyclohexyl- 2- (pyridin- 3- yl)quinazolin- 4- amine
Smiles: C1CCC(CC1)Nc1nc(nc2c1cccc2)c1cccnc1

STK839224
Synonyms: 4- (4- bromophenyl)- 5- cyano- 2- methyl- 6- (methylsulfanyl)- N- phenylpyridine- 3- carboxamide
Smiles: N#Cc1c(SC)nc(c(c1c1ccc(cc1)Br)C(=O)Nc1ccccc1)C

STK839225
Synonyms: 2- chloro- N- (3,5- dimethyl- 1H- pyrazol- 4- yl)- 5- nitrobenzamide
Smiles: Clc1ccc(cc1C(=O)Nc1c(C)n[nH]c1C)[N+](=O)[O-]

STK537850
Synonyms: 2- fluoro- N- {1,1,1,3,3,3- hexafluoro- 2- [(5- methyl- 1,3,4- thiadiazol- 2- yl)amino]propan- 2- yl}benzamide
Smiles: Cc1nnc(s1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccccc1F

STK839226
Synonyms: 2- (3- bromo- 4- methylphenyl)- 5- phenyl- 1,3,4- oxadiazole
Smiles: Cc1ccc(cc1Br)c1nnc(o1)c1ccccc1

STK839227
Synonyms: 2- (2- chlorophenyl)- 4- (pyrrolidin- 1- yl)quinazoline
Smiles: Clc1ccccc1c1nc2ccccc2c(n1)N1CCCC1

STK537857
Synonyms: {benzene- 1,4- diylbis[oxy(2- hydroxypropane- 3,1- diyl)piperazine- 4,1- diyl]}bis(phenylmethanone)
Smiles: OC(CN1CCN(CC1)C(=O)c1ccccc1)COc1ccc(cc1)OCC(CN1CCN(CC1)C(=O)c1ccccc1)O

STK839230
Synonyms: 2,6- di- tert- butyl- 4- [hydroxy(1- methyl- 1H- imidazol- 2- yl)methyl]phenol
Smiles: Cn1ccnc1C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)O

STK839231
Synonyms: methyl{[6- amino- 3,5- dicyano- 4- (4- methoxyphenyl)pyridin- 2- yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc(N)c(c(c1C#N)c1ccc(cc1)OC)C#N

STK537865
Synonyms: N- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- ({2- oxo- 2- [(4- phenoxyphenyl)amino]ethyl}sulfanyl)- 4- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)NC(=C(C1c1ccccc1)C(=O)Nc1ccc(cc1)Cl)C

STK537874
Synonyms: 4- {4- methyl- 6- [(2Z)- 2- (1- phenylethylidene)hydrazinyl]pyrimidin- 2- yl}morpholine
Smiles: Cc1cc(N/N=C(\c2ccccc2)/C)nc(n1)N1CCOCC1

STK839237
Synonyms: 3- amino- 4- (5- methylfuran- 2- yl)- N- (2- methylphenyl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Cc1ccc(o1)c1c2CCCCc2nc2c1c(N)c(s2)C(=O)Nc1ccccc1C

STK537880
Synonyms: 2- butyl- 2- hydroxy- N'- [(3Z)- 1- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]hexanehydrazide
Smiles: CCCCC(C(=O)N/N=C\1/c2ccccc2N(C1=O)C)(CCCC)O

STK537881
Synonyms: 5- cyano- 4- (furan- 2- yl)- 6- ({2- [(4- iodophenyl)amino]- 2- oxoethyl}sulfanyl)- N- (2- methoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)I)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK537882
Synonyms: ethyl[2- ({[(Z)- amino(4- chlorophenyl)methylidene]amino}oxy)- 1,1,1,3,3,3- hexafluoropropan- 2- yl]carbamate
Smiles: CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)O/N=C(/c1ccc(cc1)Cl)\N

STK839241
Synonyms: 5,7- dimethyl- N'- [(2Z,3E)- 4- phenylbut- 3- en- 2- ylidene][1,2,4]triazolo[1,5- a]pyrimidine- 2- carbohydrazide
Smiles: C/C(=N/NC(=O)c1nn2c(n1)nc(cc2C)C)/C=C/c1ccccc1

STK537886
Synonyms: ethyl5- fluoro- 3- [(2- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}propanoyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)C)cc(cc2)F

STK839242
Synonyms: 2- {4- [(4- bromophenyl)amino]- 6- methylpyrimidin- 2- yl}phenol
Smiles: Brc1ccc(cc1)Nc1cc(C)nc(n1)c1ccccc1O

STK839245
Synonyms: 4- (3- chlorophenyl)- 2- (methylsulfanyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SC)NC(=O)CC1c1cccc(c1)Cl

STK839248
Synonyms: dibenzo[f,h][1,2,5]oxadiazolo[3,4- b]quinoxaline
Smiles: c1ccc2c(c1)c1nc3nonc3nc1c1c2cccc1

STK839249
Synonyms: 2,4- bis(4- methoxyphenyl)- 6- (5- methylfuran- 2- yl)pyridine
Smiles: COc1ccc(cc1)c1cc(nc(c1)c1ccc(o1)C)c1ccc(cc1)OC

STK537906
Synonyms: N- benzyl- 4- {(2Z)- 2- [1- (4- iodophenyl)ethylidene]hydrazinyl}- 6- methylpyrimidin- 2- amine
Smiles: Ic1ccc(cc1)/C(=N\Nc1cc(C)nc(n1)NCc1ccccc1)/C

STK537912
Synonyms: 3- {[7- (2- chlorobenzyl)- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}propanoicacid
Smiles: OC(=O)CCSc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

STK537916
Synonyms: 4- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 8- fluoro- 5H- pyrimido[5,4- b]indole
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK839255
Synonyms: 3- amino- 4- (5- methylfuran- 2- yl)- N- (4- phenoxyphenyl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Cc1ccc(o1)c1c2CCCCc2nc2c1c(N)c(s2)C(=O)Nc1ccc(cc1)Oc1ccccc1

STK839257
Synonyms: propyl{[3- cyano- 4- (2,4- dichlorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetate
Smiles: CCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1Cl)Cl

STK537927
Synonyms: (4Z)- 4- [4- (2,4- dinitrophenoxy)benzylidene]- 2- (furan- 2- yl)- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C\c1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccco1

STK537928
Synonyms: 6- ({2- [(4- bromophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (furan- 2- yl)- 2- methyl- N- (2- methylphenyl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1C)C

STK537932
Synonyms: (4Z)- 2- (4- tert- butylphenyl)- 4- ({5- [3- (trifluoromethyl)phenyl]furan- 2- yl}methylidene)- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C\c1ccc(o1)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(C)(C)C

STK537937
Synonyms: N'~2~,N'~6~- bis[(E)- (4- methoxyphenyl)methylidene]pyridine- 2,6- dicarbohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)c1cccc(n1)C(=O)N/N=C/c1ccc(cc1)OC

STK537942
Synonyms: 5- cyano- 6- ({2- [(2,5- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- N- (2- methoxyphenyl)- 2- methyl- 4- (5- methylfuran- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(C)ccc2C)NC(=C(C1c1ccc(o1)C)C(=O)Nc1ccccc1OC)C

STK839265
Synonyms: N- cyclohexyl- 2- (pyridin- 4- yl)quinazolin- 4- amine
Smiles: C1CCC(CC1)Nc1nc(nc2c1cccc2)c1ccncc1

STK537948
Synonyms: 2- {(E)- [(2- methyl- 1H- benzimidazol- 6- yl)imino]methyl}- 4- nitrophenol
Smiles: Oc1ccc(cc1/C=N/c1ccc2c(c1)[nH]c(n2)C)[N+](=O)[O-]

STK839269
Synonyms: 4- {(Z)- [2- (4- chlorophenyl)- 5- oxo- 1,3- oxazol- 4(5H)- ylidene]methyl}- 2,6- dimethoxyphenylacetate
Smiles: COc1cc(/C=C/2\N=C(OC2=O)c2ccc(cc2)Cl)cc(c1OC(=O)C)OC

STK839270
Synonyms: N'- [(1E,2E)- 2- (2,2- dimethyl- 6- phenyl- 4H- 1,3- dioxin- 4- ylidene)ethylidene]pyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)N/N=C/C=C/1\C=C(OC(O1)(C)C)c1ccccc1

STK537955
Synonyms: 3- butoxy- N- [(E)- (1,3- diphenyl- 1H- pyrazol- 4- yl)methylidene]aniline
Smiles: CCCCOc1cccc(c1)/N=C/c1cn(nc1c1ccccc1)c1ccccc1

STK537956
Synonyms: (4Z,9Z)tetrakis[1,2,5]oxadiazolo[3,4- c:3',4'- g:3'',4''- k:3''',4'''- o][1,2,5,6,9,10,13,14]octaazacyclohexadecine4,9,14,19- tetraoxide
Smiles: [O-]/[N+]/1=N/c2nonc2/[N+](=N\c2nonc2/[N+](=N/c2c(/[N+](=N/c3c1non3)/[O-])non2)/[O-])/[O-]

STK839271
Synonyms: 3- amino- N- (3- bromophenyl)- 4- (5- methylfuran- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Brc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1ccc(o1)C)c1c(n2)CCCC1

STK537957
Synonyms: 5- cyano- 6- ({2- [(2,3- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N- (2- methylphenyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)C)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK839273
Synonyms: 5- (4- bromophenyl)- 2- (2- fluorophenyl)- 4H- thieno[2,3- d][1,3]oxazin- 4- one
Smiles: Brc1ccc(cc1)c1csc2c1c(=O)oc(n2)c1ccccc1F

STK839275
Synonyms: methyl5- cyano- 6- (ethylsulfanyl)- 4- (2- methoxyphenyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: CCSC1=C(C#N)C(C(C(=O)N1)C(=O)OC)c1ccccc1OC

STK839277
Synonyms: morpholin- 4- yl(pentafluorophenyl)methanone
Smiles: O=C(c1c(F)c(F)c(c(c1F)F)F)N1CCOCC1

STK537970
Synonyms: 2- [4- (2- fluorophenyl)piperazin- 1- yl]- 1- (8- methyl- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: Cc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCN(CC1)c1ccccc1F

STK839279
Synonyms: 3- amino- N- (4- fluorophenyl)- 4- (5- methylfuran- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccc(o1)C)c1c(n2)CCCC1

STK537982
Synonyms: 4- [(1Z)- 1- {2- [6- methyl- 2- (morpholin- 4- yl)pyrimidin- 4- yl]hydrazinylidene}ethyl]phenol
Smiles: Oc1ccc(cc1)/C(=N\Nc1cc(C)nc(n1)N1CCOCC1)/C

STK839287
Synonyms: N'- [(3Z)- 1- ethyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- 2- hydroxy- 2- propylpentanehydrazide
Smiles: CCCC(C(=O)N/N=C/1\C(=O)N(c2c1cccc2)CC)(CCC)O

STK537999
Synonyms: N- benzyl- 4- methyl- 6- [(2E)- 2- (pyridin- 3- ylmethylidene)hydrazinyl]pyrimidin- 2- amine
Smiles: Cc1cc(N/N=C/c2cccnc2)nc(n1)NCc1ccccc1

STK839291
Synonyms: N'- [(3Z)- 5- bromo- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- 2- hydroxy- 2,2- bis(4- methylphenyl)acetohydrazide
Smiles: Cc1ccc(cc1)C(c1ccc(cc1)C)(C(=O)N/N=C/1\C(=O)Nc2c1cc(Br)cc2)O

STK538001
Synonyms: 2,2'- (oxydimethanediyl)bis(4,6- di- tert- butylphenol)
Smiles: Oc1c(COCc2cc(cc(c2O)C(C)(C)C)C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C

STK538004
Synonyms: 5- cyano- N- (2- methoxyphenyl)- 2- methyl- 6- ({2- [(2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1OC)C

STK839292
Synonyms: ethyl4- {(2Z)- 3- (2- chlorophenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)/C(=C/c1ccccc1Cl)/NC(=O)c1ccccc1

STK538006
Synonyms: 8- (diethylamino)- 1,3- dimethyl- 7- (2- methylprop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN(c1nc2c(n1CC(=C)C)c(=O)n(c(=O)n2C)C)CC

STK538007
Synonyms: 2- {[5- (1,3- benzothiazol- 2- yl)- 4- (2- chlorophenyl)- 3- cyano- 6- phenyl- 1,4- dihydropyridin- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=C(C1c1ccccc1Cl)c1nc2c(s1)cccc2)c1ccccc1

STK538011
Synonyms: 5- cyano- 6- ({2- [(3- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N,4- diphenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)OC)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1)C

STK538013
Synonyms: 4- [4- (2- fluorophenyl)piperazin- 1- yl]- 8- methyl- 5H- pyrimido[5,4- b]indole
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccccc1F

STK839299
Synonyms: [3- amino- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinolin- 2- yl](4- methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1

STK538019
Synonyms: 1- (4- methylphenyl)- 1H- tetrazol- 5- yl(1Z)- N- (4- nitrophenyl)- 2- oxopropanehydrazonothioate
Smiles: Cc1ccc(cc1)n1nnnc1S/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/C(=O)C

STK538021
Synonyms: 5a- (morpholin- 4- yl)- 5a,6,7,8,9,9a- hexahydrodibenzo[b,d]furan- 2- ol
Smiles: Oc1ccc2c(c1)C1CCCCC1(O2)N1CCOCC1

STK538028
Synonyms: 5- [(4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)amino]- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1ccc2c(c1OC)C(=O)OC2Nc1ccc2c(c1)C(=O)NC2=O

STK839300
Synonyms: 2- {[3- cyano- 4- (4- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (3,4- dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)NC(=O)CC1c1ccc(cc1)F

STK538031
Synonyms: methyl(5- benzyl- 2,4,6- trioxohexahydropyrimidin- 5- yl)acetate
Smiles: COC(=O)CC1(Cc2ccccc2)C(=O)NC(=O)NC1=O

STK839301
Synonyms: ethyloxo[(2E)- 2- (2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)hydrazinyl]acetate
Smiles: CCOC(=O)C(=O)N/N=C\1/C(=O)Nc2c1cccc2

STK538036
Synonyms: 4- (4- chlorophenyl)- 5- cyano- 6- ({2- [(3,4- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N- (2- methylphenyl)pyridine- 3- carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(c(c2)C)C)nc(c(c1c1ccc(cc1)Cl)C(=O)Nc1ccccc1C)C

STK538037
Synonyms: N- [3- (4- fluorophenoxy)propyl]- 6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- amine
Smiles: Fc1ccc(cc1)OCCCNC1CCCc2c1[nH]c1c2cc(cc1)C

STK538038
Synonyms: methyl4- (2- chlorophenyl)- 5- cyano- 2- methyl- 6- {[2- (naphthalen- 2- ylamino)- 2- oxoethyl]sulfanyl}- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc3c(c2)cccc3)NC(=C(C1c1ccccc1Cl)C(=O)OC)C

STK839302
Synonyms: 2- {[3- cyano- 4- (furan- 2- yl)- 5,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- (4- ethylphenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)CC)nc2c(c1c1ccco1)CCCC2

STK839303
Synonyms: 3- (3- methylbenzyl)- 1- (quinolin- 2- yl)pyrrolidine- 2,5- dione
Smiles: Cc1cccc(c1)CC1CC(=O)N(C1=O)c1ccc2c(n1)cccc2

STK538043
Synonyms: 4- (4- chlorophenyl)- 6- ({2- [(3- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- N- (2- methylphenyl)pyridine- 3- carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2cccc(c2)Cl)nc(c(c1c1ccc(cc1)Cl)C(=O)Nc1ccccc1C)C

STK839304
Synonyms: N- (3,4- difluorophenyl)- 2- (3- nitrophenyl)quinazolin- 4- amine
Smiles: [O-][N+](=O)c1cccc(c1)c1nc(Nc2ccc(c(c2)F)F)c2c(n1)cccc2

STK538046
Synonyms: 4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- [(2- oxo- 2- {[4- (propan- 2- yl)phenyl]amino}ethyl)sulfanyl]- N- phenylpyridine- 3- carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)C(C)C)nc(c(c1c1ccc(cc1)Cl)C(=O)Nc1ccccc1)C

STK839305
Synonyms: methyl4- (2- chlorophenyl)- 5- cyano- 6- ({2- [(2,3- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)C)NC(=C(C1c1ccccc1Cl)C(=O)OC)C

STK538049
Synonyms: benzyl{[4- (1,3- benzodioxol- 5- yl)- 3- cyano- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetate
Smiles: N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccc2c(c1)OCO2

STK538052
Synonyms: 6- ({2- [(4- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (4- methoxyphenyl)- 2- methyl- N- phenylpyridine- 3- carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)Cl)nc(c(c1c1ccc(cc1)OC)C(=O)Nc1ccccc1)C

STK538054
Synonyms: 6- ({2- [(4- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- N- (2- methoxyphenyl)- 2- methyl- 4- (5- methylfuran- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Cl)NC(=C(C1c1ccc(o1)C)C(=O)Nc1ccccc1OC)C

STK839307
Synonyms: ethyl5'- methyl- 4'- oxo- 3',4'- dihydro- 1'H- spiro[cycloheptane- 1,2'- thieno[3,4- d]pyrimidine]- 7'- carboxylate
Smiles: CCOC(=O)c1sc(c2c1NC1(CCCCCC1)NC2=O)C

STK839308
Synonyms: 2- {[3- cyano- 4- (2- methylphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC2=C(C1c1ccccc1C)C(=O)CCC2

STK839309
Synonyms: prop- 2- en- 1- yl5- cyano- 6- ({2- [(2,3- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1cccc(c1C)C

STK839311
Synonyms: 3- {[(2- methoxyphenyl)amino]methylidene}- 1,5- dioxaspiro[5.5]undecane- 2,4- dione
Smiles: COc1ccccc1NC=C1C(=O)OC2(OC1=O)CCCCC2

STK839312
Synonyms: 2- {[5- (3- chloro- 1- benzothiophen- 2- yl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (4- fluorophenyl)ethanone
Smiles: Fc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)c1sc2c(c1Cl)cccc2

STK839315
Synonyms: 2- {[3- cyano- 4- (furan- 2- yl)- 5,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- (2,5- dimethylphenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(c1c1ccco1)CCCC2

STK538061
Synonyms: 5- [(furan- 2- ylmethyl)sulfamoyl]- 2- methoxybenzoicacid
Smiles: COc1ccc(cc1C(=O)O)S(=O)(=O)NCc1ccco1

STK538062
Synonyms: 3,4- dimethoxy- N- [(1Z)- 3- (4- methylpiperazin- 1- yl)- 1- (naphthalen- 1- yl)- 3- oxoprop- 1- en- 2- yl]benzamide
Smiles: COc1cc(ccc1OC)C(=O)N/C(=C\c1cccc2c1cccc2)/C(=O)N1CCN(CC1)C

STK839316
Synonyms: 3- amino- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1

STK839317
Synonyms: 5- {[(4- chloro- 2,5- dimethoxyphenyl)amino]methylidene}- 2,2- dimethyl- 1,3- dioxane- 4,6- dione
Smiles: COc1cc(Cl)c(cc1NC=C1C(=O)OC(OC1=O)(C)C)OC

STK538063
Synonyms: N- (4- chlorophenyl)- 5- cyano- 4- (4- methoxyphenyl)- 2- methyl- 6- ({2- oxo- 2- [(4- phenoxyphenyl)amino]ethyl}sulfanyl)pyridine- 3- carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)nc(c(c1c1ccc(cc1)OC)C(=O)Nc1ccc(cc1)Cl)C

STK839320
Synonyms: 2- [4- (4- methylpiperidin- 1- yl)- 4- oxobutyl]- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: CC1CCN(CC1)C(=O)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK538066
Synonyms: benzyl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- ({2- oxo- 2- [(4- phenoxyphenyl)amino]ethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

STK538067
Synonyms: 3- amino- N- (3,4- dimethylphenyl)- 7,7- dimethyl- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CC(CC1=O)(C)C)Nc1ccc(c(c1)C)C

STK839321
Synonyms: 4- (1,3- benzodioxol- 5- yl)- 2- (butylsulfanyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: CCCCSC1=C(C#N)C(CC(=O)N1)c1ccc2c(c1)OCO2

STK839323
Synonyms: 2- {[3- cyano- 4- (2- methylphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (2,4- dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC2=C(C1c1ccccc1C)C(=O)CCC2

STK839324
Synonyms: 3- amino- N- (3- fluorophenyl)- 4- (furan- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Fc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK538069
Synonyms: ethyl2- [(3- chloroquinoxalin- 2- yl)amino]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc2c1CCCC2

STK538070
Synonyms: N'- [(2Z)- 4- methylpentan- 2- ylidene]- 1H- indole- 7- carbohydrazide
Smiles: CC(C/C(=N\NC(=O)c1cccc2c1[nH]cc2)/C)C

STK839325
Synonyms: 3- amino- N- phenyl- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1)Nc1ccccc1

STK538071
Synonyms: 8- fluoro- 4- [(3R)- 4- (3- methoxyphenyl)- 3- methylpiperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1c2cc(cc1)F

STK839327
Synonyms: 2- ({3- cyano- 6- oxo- 4- [4- (propan- 2- yl)phenyl]- 1,4,5,6- tetrahydropyridin- 2- yl}sulfanyl)- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C(F)(F)F)NC(=O)CC1c1ccc(cc1)C(C)C

STK538079
Synonyms: tert- butyl6- [(2- chlorobenzyl)sulfanyl]- 4- (4- chlorophenyl)- 5- cyano- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCc2ccccc2Cl)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

STK839329
Synonyms: ethyl{[3- cyano- 4- (2- methylphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccccc1C

STK538085
Synonyms: 2- (3,4- dimethoxyphenyl)- 5- {[2- (3,4- dimethoxyphenyl)ethyl](methyl)amino}- 2- (propan- 2- yl)pentanenitrile
Smiles: COc1ccc(cc1OC)CCN(CCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N)C

STK839332
Synonyms: 2- (2- {[4- phenyl- 5- (thiophen- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1N(CCSc2nnc(n2c2ccccc2)c2cccs2)C(=O)c2c1cccc2

STK839333
Synonyms: ethyl({4- [4- (benzyloxy)phenyl]- 3- cyano- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl}sulfanyl)acetate
Smiles: CCOC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)OCc1ccccc1

STK839335
Synonyms: 4- [5- phenyl- 4- (thiophen- 2- yl)- 1H- imidazol- 2- yl]benzonitrile
Smiles: N#Cc1ccc(cc1)c1[nH]c(c(n1)c1cccs1)c1ccccc1

STK839337
Synonyms: 3- amino- 4- (furan- 2- yl)- N- (1,3- thiazol- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1)Nc1nccs1

STK538091
Synonyms: 3- {[(3bS,4aR)- 3,4,4- trimethyl- 3b,4,4a,5- tetrahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazol- 1- yl]carbonyl}- 9H- thioxanthen- 9- one10,10- dioxide
Smiles: Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)C(=O)c1ccc2c(c1)S(=O)(=O)c1c(C2=O)cccc1

STK538092
Synonyms: 2- {[4- (4- chlorophenyl)- 3- cyano- 7,7- dimethyl- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (2,3- dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)C)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C

STK538095
Synonyms: benzyl({4- (4- chlorophenyl)- 3- cyano- 6- methyl- 5- [(2- methylphenyl)carbamoyl]pyridin- 2- yl}sulfanyl)acetate
Smiles: N#Cc1c(SCC(=O)OCc2ccccc2)nc(c(c1c1ccc(cc1)Cl)C(=O)Nc1ccccc1C)C

STK839338
Synonyms: 3- amino- 7,7- dimethyl- 5- oxo- N- (4- phenoxyphenyl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CC(CC1=O)(C)C)Nc1ccc(cc1)Oc1ccccc1

STK839339
Synonyms: 1- (4- chlorophenyl)- 2- {[5- (2,3- dihydro- 1,4- benzodioxin- 2- yl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)C1COc2c(O1)cccc2

STK839341
Synonyms: 2- {[3- cyano- 4- (2- methylphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC2=C(C1c1ccccc1C)C(=O)CCC2

STK538096
Synonyms: N- (4- chlorophenyl)- 6- ({2- [(4- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- 1,4- dihydro- 4,4'- bipyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Cl)NC(=C(C1c1ccncc1)C(=O)Nc1ccc(cc1)Cl)C

STK839342
Synonyms: 5- cyano- 6- ({2- [(4- fluorophenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- 2- methyl- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C

STK839343
Synonyms: prop- 2- en- 1- yl6- [(2- amino- 2- oxoethyl)sulfanyl]- 5- cyano- 2- methyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)N

STK538100
Synonyms: (3aR,3bR,4aR,5aS)- 5a- hydroxy- N- (2- methoxyphenyl)- 3,4,4- trimethyl- 3a,3b,4,4a,5,5a- hexahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazole- 1- carbothioamide
Smiles: COc1ccccc1NC(=S)N1N=C([C@@H]2[C@@]1(O)C[C@@H]1[C@H]2C1(C)C)C

STK839344
Synonyms: 4- ({(E)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)benzamide
Smiles: N#C/C(=C\Nc1ccc(cc1)C(=O)N)/c1scc(n1)c1ccc2c(c1)OCO2

STK839345
Synonyms: 3- {[(5- chloro- 2- methoxyphenyl)amino]methylidene}- 1,5- dioxaspiro[5.5]undecane- 2,4- dione
Smiles: COc1ccc(cc1NC=C1C(=O)OC2(OC1=O)CCCCC2)Cl

STK839346
Synonyms: 4- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)- N- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]butanamide
Smiles: COc1ccc(cc1)c1csc(n1)NC(=O)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK839348
Synonyms: 2- [2- (4- methylpiperidin- 1- yl)- 2- oxoethyl]- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: CC1CCN(CC1)C(=O)Cn1c(=O)c2cccc3c2c(c1=O)ccc3

STK538106
Synonyms: 2- benzylglutamicacid
Smiles: OC(=O)C(Cc1ccccc1)(CCC(=O)O)N

STK839349
Synonyms: 2- {3- [(6- ethoxy- 1,3- benzothiazol- 2- yl)sulfanyl]propyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: CCOc1ccc2c(c1)sc(n2)SCCCN1C(=O)c2c(C1=O)cccc2

STK839351
Synonyms: 3- amino- N- (3- butoxyphenyl)- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: CCCCOc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1

STK538109
Synonyms: ethyl5- cyano- 6- ({2- [(2,6- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (2- ethoxyphenyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1OCC)C#N)SCC(=O)Nc1c(C)cccc1C

STK839356
Synonyms: 3- amino- N- (3- methoxyphenyl)- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: COc1cccc(c1)NC(=O)c1sc2c(c1N)cc1c(n2)CCCC1=O

STK538114
Synonyms: [3- (trifluoromethyl)phenyl][(3bS,4aR)- 3,4,4- trimethyl- 3b,4,4a,5- tetrahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazol- 1- yl]methanone
Smiles: Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)C(=O)c1cccc(c1)C(F)(F)F

STK538115
Synonyms: ethyl2- ({3- [4- (2- hydroxyethyl)piperazin- 1- yl]quinoxalin- 2- yl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: OCCN1CCN(CC1)c1nc2ccccc2nc1Nc1sc2c(c1C(=O)OCC)CCCC2

STK538120
Synonyms: 5- (3- chloropropyl)- 3- phenyl- 5,10- dihydropyridazino[3,4- b]quinoxaline
Smiles: ClCCCn1c2cc(nnc2[nH]c2c1cccc2)c1ccccc1

STK538123
Synonyms: 4- {[6- ethoxy- 3- (ethoxycarbonyl)quinolin- 4- yl]amino}benzoicacid
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)C(=O)O)cc(cc2)OCC

STK538124
Synonyms: benzyl6- ({2- [(4- chloro- 2,5- dimethoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- 4- [4- (propan- 2- yl)phenyl]- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2cc(OC)c(cc2OC)Cl)NC(=C(C1c1ccc(cc1)C(C)C)C(=O)OCc1ccccc1)C

STK538125
Synonyms: 3- (3- chloro- 6- methoxy- 1- benzothiophen- 2- yl)- 4- phenyl- 5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4H- 1,2,4- triazole
Smiles: COc1ccc2c(c1)sc(c2Cl)c1nnc(n1c1ccccc1)SC/C=C/c1ccccc1

STK538129
Synonyms: diethyl(acetylamino){2- [bis(2- chloroethoxy)phosphoryl]ethyl}propanedioate
Smiles: ClCCOP(=O)(CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C)OCCCl

STK839361
Synonyms: 2- (4- chlorophenyl)- 2- oxoethyl(1,3- benzothiazol- 2- ylsulfanyl)acetate
Smiles: O=C(OCC(=O)c1ccc(cc1)Cl)CSc1nc2c(s1)cccc2

STK538131
Synonyms: benzyl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- ({2- [(2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

STK538134
Synonyms: N- (4- chlorophenyl)- 5- cyano- 4- (4- methoxyphenyl)- 2- methyl- 6- ({2- [(2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)pyridine- 3- carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccccc2C)nc(c(c1c1ccc(cc1)OC)C(=O)Nc1ccc(cc1)Cl)C

STK839365
Synonyms: N- (1,3- dioxo- 2,3- dihydro- 1H- isoindol- 5- yl)- 7,7- dimethyl- 2,5- dioxo- 1- phenyl- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: O=C(c1cc2C(=O)CC(Cc2n(c1=O)c1ccccc1)(C)C)Nc1ccc2c(c1)C(=O)NC2=O

STK538136
Synonyms: N- [(1S,5R)- 2- acetyl- 6,6- dimethylbicyclo[3.1.0]hex- 2- en- 3- yl]- 4- (trifluoromethyl)benzamide
Smiles: CC(=O)C1=C(C[C@@H]2[C@H]1C2(C)C)NC(=O)c1ccc(cc1)C(F)(F)F

STK839367
Synonyms: (5E)- 5- (2- hydroxybenzylidene)- 2- [4- (2- nitrophenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C/c1ccccc1O)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

STK538138
Synonyms: 2- {[3- cyano- 4- (4- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (naphthalen- 2- yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc3c(c2)cccc3)NC(=O)CC1c1ccc(cc1)F

STK839368
Synonyms: 2,5- diphenyl- 4- (thiophen- 2- yl)- 1H- imidazole
Smiles: c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1cccs1

STK839370
Synonyms: 3- amino- N- (4- chlorophenyl)- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1

STK839371
Synonyms: 3- amino- N- (4- bromophenyl)- 4- (furan- 2- yl)- 6- phenylthieno[2,3- b]pyridine- 2- carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1sc2c(c1N)c(cc(n2)c1ccccc1)c1ccco1

STK839372
Synonyms: 3- {[(2- fluorophenyl)amino]methylidene}- 1,5- dioxaspiro[5.5]undecane- 2,4- dione
Smiles: O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccccc1F

STK538142
Synonyms: 4- (4- ethylpiperazin- 1- yl)- 2- (3- nitrophenyl)quinazoline
Smiles: CCN1CCN(CC1)c1nc(nc2c1cccc2)c1cccc(c1)[N+](=O)[O-]

STK538143
Synonyms: propan- 2- yl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- ({2- oxo- 2- [(4- phenoxyphenyl)amino]ethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)C)C

STK538147
Synonyms: 5- cyano- 6- ({2- [(3,4- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (4- methoxyphenyl)- 2- methyl- N- phenylpyridine- 3- carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(c(c2)C)C)nc(c(c1c1ccc(cc1)OC)C(=O)Nc1ccccc1)C

STK839375
Synonyms: 2- {[3- cyano- 4- (2- methylphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (2,6- dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cccc2C)NC2=C(C1c1ccccc1C)C(=O)CCC2

STK839377
Synonyms: prop- 2- en- 1- yl6- ({2- [(3- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1cccc(c1)Cl

STK538149
Synonyms: (3bS,4aR)- 3,4,4- trimethyl- 1- [(4- nitrophenyl)sulfonyl]- 3b,4,4a,5- tetrahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazole
Smiles: Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

STK538151
Synonyms: (2Z)- 2- cyano- 2- (3,3- dimethyl- 3,4- dihydroisoquinolin- 1(2H)- ylidene)- N- (4- methoxyphenyl)ethanamide
Smiles: N#C/C(=C\1/NC(C)(C)Cc2c1cccc2)/C(=O)Nc1ccc(cc1)OC

STK839379
Synonyms: 6- ({2- [(3- chloro- 4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)C)NC(=C(C1c1ccco1)C(=O)N)C

STK538152
Synonyms: 3- amino- N'- (2,2- dimethyl- 1,2- dihydrobenzo[f]isoquinolin- 4- yl)benzohydrazide
Smiles: Nc1cccc(c1)C(=O)NNC1=NC(C)(C)Cc2c1ccc1c2cccc1

STK839381
Synonyms: 3- amino- 4- (furan- 2- yl)- N- (3- methoxyphenyl)- 6- (4- methylphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)NC(=O)c1sc2c(c1N)c(cc(n2)c1ccc(cc1)C)c1ccco1

STK538154
Synonyms: [5- ({3- [(4- bromophenyl)amino]quinoxalin- 2- yl}amino)- 3- methyl- 1- (2- methylphenyl)- 1H- pyrazol- 4- yl](pyridin- 2- yl)methanol
Smiles: Brc1ccc(cc1)Nc1nc2ccccc2nc1Nc1c(c(nn1c1ccccc1C)C)C(c1ccccn1)O

STK839382
Synonyms: N- [(1Z)- 3,3- dimethyl- 3,4- dihydroisoquinolin- 1(2H)- ylidene]- 4- phenyl- 1,3- thiazol- 2- amine
Smiles: CC1(C)Cc2ccccc2/C(=N/c2scc(n2)c2ccccc2)/N1

STK839383
Synonyms: 6- [(2- amino- 2- oxoethyl)sulfanyl]- 4- (4- chlorophenyl)- 5- cyano- 2- methyl- N- (2- methylphenyl)pyridine- 3- carboxamide
Smiles: N#Cc1c(SCC(=O)N)nc(c(c1c1ccc(cc1)Cl)C(=O)Nc1ccccc1C)C

STK839384
Synonyms: 5- cyano- 4- (4- methoxyphenyl)- 2- methyl- 6- ({2- [(2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- N- phenylpyridine- 3- carboxamide
Smiles: COc1ccc(cc1)c1c(C#N)c(SCC(=O)Nc2ccccc2C)nc(c1C(=O)Nc1ccccc1)C

STK538159
Synonyms: 8- fluoro- 4- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}- 5H- pyrimido[5,4- b]indole
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cccc(c1)C(F)(F)F

STK839386
Synonyms: 5- cyano- 6- ({2- [(3,4- dichlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)Cl)NC(=C(C1c1ccco1)C(=O)N)C

STK839387
Synonyms: 4- ({(E)- 2- cyano- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzamide
Smiles: N#C/C(=C\Nc1ccc(cc1)C(=O)N)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK538164
Synonyms: N- benzyl- 4- methyl- 6- (4- methylpiperazin- 1- yl)pyrimidin- 2- amine
Smiles: CN1CCN(CC1)c1cc(C)nc(n1)NCc1ccccc1

STK839388
Synonyms: 4- {[(1Z)- 3- ethyl- 3- methyl- 3,4- dihydroisoquinolin- 1(2H)- ylidene]amino}- 1,5- dimethyl- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: CCC1(C)Cc2ccccc2/C(=N/c2c(C)n(n(c2=O)c2ccccc2)C)/N1

STK538165
Synonyms: benzyl4- (4- chlorophenyl)- 5- cyano- 6- {[2- (4- fluorophenyl)- 2- oxoethyl]sulfanyl}- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)F)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

STK538167
Synonyms: 6- [(2E)- 2- (4- bromobenzylidene)hydrazinyl]phenanthridine
Smiles: Brc1ccc(cc1)/C=N/Nc1nc2ccccc2c2c1cccc2

STK839389
Synonyms: ethyl4- (2- chlorophenyl)- 5- cyano- 6- ({2- [(2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- propyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1=C(CCC)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccccc1C

STK839390
Synonyms: 5- {[(3,4- difluorophenyl)amino]methylidene}- 2,2- dimethyl- 1,3- dioxane- 4,6- dione
Smiles: O=C1OC(C)(C)OC(=O)C1=CNc1ccc(c(c1)F)F

STK538171
Synonyms: (benzene- 1,2- diyldimethanediyl)bis[(3- methoxy- 3- oxopropyl)(phosphinicacid)]
Smiles: COC(=O)CCP(=O)(Cc1ccccc1CP(=O)(CCC(=O)OC)O)O

STK538175
Synonyms: 4- bromo- 2,7- di- tert- butyl- 5- methylcyclohepta- 2,4,6- trien- 1- one
Smiles: Cc1cc(c(=O)c(cc1Br)C(C)(C)C)C(C)(C)C

STK839392
Synonyms: 6- [(2- amino- 2- oxoethyl)sulfanyl]- 5- cyano- 4- (3,4- dimethoxyphenyl)- 2- methyl- N- phenylpyridine- 3- carboxamide
Smiles: N#Cc1c(SCC(=O)N)nc(c(c1c1ccc(c(c1)OC)OC)C(=O)Nc1ccccc1)C

STK538176
Synonyms: prop- 2- en- 1- yl5- cyano- 2- methyl- 6- [(2- oxo- 2- phenylethyl)sulfanyl]- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)c1ccccc1

STK839393
Synonyms: 2- {[3- cyano- 4- (furan- 2- yl)- 5,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2c(C)cc(cc2C)C)nc2c(c1c1ccco1)CCCC2

STK538177
Synonyms: methyl5- cyano- 4- (4- methylphenyl)- 2- oxo- 6- ({2- oxo- 2- [(4- phenoxyphenyl)amino]ethyl}sulfanyl)- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(cc1)Oc1ccccc1

STK839394
Synonyms: (2E)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(2- fluorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1F)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK538179
Synonyms: tert- butyl6- ({2- [(5- chloro- 2- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (4- chlorophenyl)- 5- cyano- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2OC)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

STK538180
Synonyms: N'- (3,3- dimethyl- 3,4- dihydroisoquinolin- 1- yl)acetohydrazide
Smiles: CC(=O)NNC1=NC(C)(C)Cc2c1cccc2

STK538181
Synonyms: N- (4- chlorophenyl)- 6- ({2- [(4- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (4- methoxyphenyl)- 2- methylpyridine- 3- carboxamide
Smiles: COc1ccc(cc1)c1c(C#N)c(SCC(=O)Nc2ccc(cc2)Cl)nc(c1C(=O)Nc1ccc(cc1)Cl)C

STK538182
Synonyms: 2- ({4- [4- (benzyloxy)phenyl]- 3- cyano- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl}sulfanyl)- N- (2,4,6- trimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CCC2

STK538183
Synonyms: 1- ethyl- 6- fluoro- 7- [(2E)- 2- (4- nitrobenzylidene)hydrazinyl]- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N/N=C/c1ccc(cc1)[N+](=O)[O-])c(c2)F

STK538184
Synonyms: thiophen- 2- yl[(3bS,4aR)- 3,4,4- trimethyl- 3b,4,4a,5- tetrahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazol- 1- yl]methanone
Smiles: Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)C(=O)c1cccs1

STK538185
Synonyms: benzyl5- cyano- 6- ({2- [(4- ethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 4- [4- (propan- 2- yl)phenyl]- 1,4- dihydropyridine- 3- carboxylate
Smiles: CCc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1ccc(cc1)C(C)C

STK839397
Synonyms: 3- {[(2- methylphenyl)amino]methylidene}- 1,5- dioxaspiro[5.5]undecane- 2,4- dione
Smiles: O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccccc1C

STK839399
Synonyms: 2- phenyl- 3- (thiophen- 2- yl)quinoxaline
Smiles: c1ccc(cc1)c1nc2ccccc2nc1c1cccs1

STK538192
Synonyms: 2- cyano- N- cyclohexyl- 2- [3- (3,4- dihydroisoquinolin- 2(1H)- yl)quinoxalin- 2- yl]acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCc2c(C1)cccc2)C(=O)NC1CCCCC1

STK538194
Synonyms: benzyl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- {[2- oxo- 2- (phenylamino)ethyl]sulfanyl}- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

STK839401
Synonyms: 5- cyano- 6- ({2- [(4- ethoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)N)c1ccco1

STK839402
Synonyms: N~2~- benzyl- N~4~- (3- chlorophenyl)- 6- methylpyrimidine- 2,4- diamine
Smiles: Cc1nc(NCc2ccccc2)nc(c1)Nc1cccc(c1)Cl

STK839404
Synonyms: 5- cyano- 4- (furan- 2- yl)- 6- ({2- [(4- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)OC)NC(=C(C1c1ccco1)C(=O)N)C

STK538198
Synonyms: 4- [4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]- 8- methoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cc(Cl)ccc1C

STK839405
Synonyms: 3- [(1,3- thiazol- 2- ylamino)methylidene]- 1,5- dioxaspiro[5.5]undecane- 2,4- dione
Smiles: O=C1OC2(CCCCC2)OC(=O)C1=CNc1nccs1

STK839406
Synonyms: 3- {[(4- chloro- 2,5- dimethoxyphenyl)amino]methylidene}- 1,5- dioxaspiro[5.5]undecane- 2,4- dione
Smiles: COc1cc(Cl)c(cc1NC=C1C(=O)OC2(OC1=O)CCCCC2)OC

STK538201
Synonyms: benzyl4- (4- chlorophenyl)- 5- cyano- 6- ({2- [(3,4- dichlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)Cl)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

STK538203
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 4- (2- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2Cl)NC(=O)CC1c1ccccc1C

STK538205
Synonyms: 5- cyano- 6- ({2- [(2,4- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- N- (2- methoxyphenyl)- 2- methyl- 4- (5- methylfuran- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC(=C(C1c1ccc(o1)C)C(=O)Nc1ccccc1OC)C

STK538206
Synonyms: 4- (1,3- benzodioxol- 5- yl)- 2- (ethylsulfanyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: CCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc2c(c1)OCO2

STK538207
Synonyms: tert- butyl4- (4- chlorophenyl)- 5- cyano- 6- ({2- [(2- ethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2CC)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

STK538208
Synonyms: 2- {[(3,3- dimethyl- 3,4- dihydroisoquinolin- 1- yl)methyl]sulfanyl}benzoicacid
Smiles: OC(=O)c1ccccc1SCC1=NC(C)(C)Cc2c1cccc2

STK839408
Synonyms: 3- {[(4- ethoxyphenyl)amino]methylidene}- 1,5- dioxaspiro[5.5]undecane- 2,4- dione
Smiles: CCOc1ccc(cc1)NC=C1C(=O)OC2(OC1=O)CCCCC2

STK538215
Synonyms: 4- (4- cyclohexylpiperazin- 1- yl)- 8- fluoro- 5H- pyrimido[5,4- b]indole
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)C1CCCCC1

STK839410
Synonyms: methyl{[3- cyano- 4- (2- methylphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccccc1C

STK839411
Synonyms: 2- {[3- cyano- 4- (5- methylfuran- 2- yl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC2=C(C1c1ccc(o1)C)C(=O)CCC2

STK538217
Synonyms: N- [4- ({[(2Z)- 3- chlorobut- 2- en- 1- yl]oxy}sulfamoyl)phenyl]acetamide
Smiles: C/C(=C/CONS(=O)(=O)c1ccc(cc1)NC(=O)C)/Cl

STK538219
Synonyms: 2- ({4- [4- (benzyloxy)phenyl]- 3- cyano- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl}sulfanyl)- N- (2- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CCC2

STK839412
Synonyms: 4- (2,3- dichlorophenyl)- 6- oxo- 2- (prop- 2- en- 1- ylsulfanyl)- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: C=CCSC1=C(C#N)C(CC(=O)N1)c1cccc(c1Cl)Cl

STK538220
Synonyms: ethyl[2- (benzylsulfanyl)- 4- methyl- 6- oxo- 1,6- dihydropyrimidin- 5- yl]acetate
Smiles: CCOC(=O)Cc1c(C)nc([nH]c1=O)SCc1ccccc1

STK538223
Synonyms: 3- amino- N- (4- iodophenyl)- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Ic1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1

STK538228
Synonyms: N'- [(1Z)- 6,7- dimethoxy- 3,3- dimethyl- 3,4- dihydroisoquinolin- 1(2H)- ylidene]- 2,2,3,3,4,4,4- heptafluorobutanehydrazide
Smiles: COc1cc2c(cc1OC)CC(N/C/2=N\NC(=O)C(C(C(F)(F)F)(F)F)(F)F)(C)C

STK839413
Synonyms: 2- {[3- cyano- 4- (furan- 2- yl)- 5,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- (3- fluorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2cccc(c2)F)nc2c(c1c1ccco1)CCCC2

STK538229
Synonyms: 1- [2,3,5,6- tetrafluoro- 4- (5- methyl- 3- phenyl- 1H- pyrazol- 1- yl)benzyl]piperidine
Smiles: Fc1c(F)c(CN2CCCCC2)c(c(c1n1nc(cc1C)c1ccccc1)F)F

STK538231
Synonyms: 2- methoxyethyl4- (2- chlorophenyl)- 5- cyano- 6- ({2- [(3- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1cccc(c1)OC

STK538232
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl(dithiophen- 2- yl)methanol
Smiles: OC(C1CN2CCC1CC2)(c1cccs1)c1cccs1

STK538233
Synonyms: benzyl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- {[2- (naphthalen- 2- ylamino)- 2- oxoethyl]sulfanyl}- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc3c(c2)cccc3)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

STK839415
Synonyms: 3- {[(2- chlorophenyl)amino]methylidene}- 1,5- dioxaspiro[5.5]undecane- 2,4- dione
Smiles: O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccccc1Cl

STK538234
Synonyms: 5- cyano- 4- (3,4- dimethoxyphenyl)- 6- ({2- [(4- ethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N- phenylpyridine- 3- carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)CC)nc(c(c1c1ccc(c(c1)OC)OC)C(=O)Nc1ccccc1)C

STK538235
Synonyms: ({[(benzyloxy)carbonyl]amino}methyl)phosphinicacid
Smiles: O=C(NCP(=O)O)OCc1ccccc1

STK839416
Synonyms: 2- [(6- ethoxy- 1,3- benzothiazol- 2- yl)sulfanyl]- 1- phenylethanone
Smiles: CCOc1ccc2c(c1)sc(n2)SCC(=O)c1ccccc1

STK538237
Synonyms: 6- [(2E)- 2- (4- chloro- 3- nitrobenzylidene)hydrazinyl]phenanthridine
Smiles: [O-][N+](=O)c1cc(/C=N/Nc2nc3ccccc3c3c2cccc3)ccc1Cl

STK839420
Synonyms: 3,6- diamino- 5- cyano- 4- (3,4- dimethoxyphenyl)- N- phenylthieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1c(N)nc2c(c1c1ccc(c(c1)OC)OC)c(N)c(s2)C(=O)Nc1ccccc1

STK839421
Synonyms: prop- 2- en- 1- yl5- cyano- 6- ({2- [(4- ethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)CC

STK839423
Synonyms: 5- acetyl- 2- [(2- chlorobenzyl)sulfanyl]- 4- (2- chlorophenyl)- 6- methyl- 1,4- dihydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2Cl)NC(=C(C1c1ccccc1Cl)C(=O)C)C

STK839424
Synonyms: 3- amino- 4- (furan- 2- yl)- N- (naphthalen- 2- yl)- 6- phenylthieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c(cc(n2)c1ccccc1)c1ccco1)Nc1ccc2c(c1)cccc2

STK538241
Synonyms: ethyl4- (5- {(E)- [(8- fluoro- 2,4- dioxo- 1,2,4,5- tetrahydro- 3H- pyrimido[5,4- b]indol- 3- yl)imino]methyl}furan- 2- yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)F

STK839426
Synonyms: prop- 2- en- 1- yl5- cyano- 2- methyl- 6- ({2- [(2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1ccccc1C

STK839428
Synonyms: 2- amino- 6- (5- methylfuran- 2- yl)- 4- (4- methylphenyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(N)nc(cc1c1ccc(cc1)C)c1ccc(o1)C

STK839429
Synonyms: 2- {[3- cyano- 4- (2- ethoxyphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (2,5- dimethylphenyl)acetamide
Smiles: CCOc1ccccc1C1C(=C(SCC(=O)Nc2cc(C)ccc2C)NC2=C1C(=O)CCC2)C#N

STK538245
Synonyms: N- (4- chlorophenyl)- 5- cyano- 6- ({2- [(3,4- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (4- methoxyphenyl)- 2- methylpyridine- 3- carboxamide
Smiles: COc1ccc(cc1)c1c(C#N)c(SCC(=O)Nc2ccc(c(c2)C)C)nc(c1C(=O)Nc1ccc(cc1)Cl)C

STK538251
Synonyms: propane- 1,3- diylbis[(2- phenylethyl)(phosphinicacid)]
Smiles: OP(=O)(CCc1ccccc1)CCCP(=O)(CCc1ccccc1)O

STK839431
Synonyms: 4- (2,3- dichlorophenyl)- 2- (methylsulfanyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SC)NC(=O)CC1c1cccc(c1Cl)Cl

STK839432
Synonyms: diethyl5- {[4- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)butanoyl]amino}- 3- methylthiophene- 2,4- dicarboxylate
Smiles: CCOC(=O)c1c(NC(=O)CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)sc(c1C)C(=O)OCC

STK839433
Synonyms: N~2~- benzyl- N~4~- (2,4- dimethylphenyl)- 6- methylpyrimidine- 2,4- diamine
Smiles: Cc1ccc(c(c1)C)Nc1cc(C)nc(n1)NCc1ccccc1

STK839434
Synonyms: 3- amino- N- (3- methylphenyl)- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1sc2c(c1N)cc1c(n2)CCCC1=O

STK538253
Synonyms: 1- (1,3- benzothiazol- 2- ylsulfanyl)- 3- (3,6- dibromo- 9H- carbazol- 9- yl)propan- 2- ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CSc1nc2c(s1)cccc2