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

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STK084567
Synonyms: N- (4- bromo- 3- methylphenyl)- N'- (4- ethylphenyl)ethanediamide
Smiles: CCc1ccc(cc1)NC(=O)C(=O)Nc1ccc(c(c1)C)Br

STK084569
Synonyms: N- (2- hydroxyethyl)- N'- (3- nitrophenyl)butanediamide
Smiles: OCCNC(=O)CCC(=O)Nc1cccc(c1)[N+](=O)[O-]

STK084571
Synonyms: ethyl4- [(4Z)- 4- [3- methoxy- 4- (prop- 2- yn- 1- yloxy)benzylidene]- 5- oxo- 3- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoate
Smiles: C#CCOc1ccc(cc1OC)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)C(=O)OCC

STK084636
Synonyms: 7- (2- hydroxy- 3- phenoxypropyl)- 8- {(2E)- 2- [1- (4- hydroxyphenyl)ethylidene]hydrazinyl}- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(N/N=C(/c2ccc(cc2)O)\C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1

STK084650
Synonyms: {2- [2- (4- hexylphenoxy)ethoxy]benzylidene}propanedinitrile
Smiles: CCCCCCc1ccc(cc1)OCCOc1ccccc1C=C(C#N)C#N

STK084681
Synonyms: 3- ethyl- 1- (phenylsulfonyl)- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 5- ol
Smiles: CCC1=NN(C(C1)(O)C(F)(F)F)S(=O)(=O)c1ccccc1

STK084696
Synonyms: 7- phenyl- 7,12- dihydro- 6H- chromeno[4,3- d][1,2,4]triazolo[1,5- a]pyrimidine
Smiles: c1ccc(cc1)C1C2=C(Nc3n1ncn3)c1c(OC2)cccc1

STK084712
Synonyms: N- (4- ethylbenzyl)- N- (prop- 2- en- 1- yl)prop- 2- en- 1- amine
Smiles: CCc1ccc(cc1)CN(CC=C)CC=C

STK084717
Synonyms: 2- {[1- (2,3- dichlorophenyl)- 3- methoxy- 3- oxopropyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: COC(=O)CC(c1cccc(c1Cl)Cl)NC(=O)C1CCCCC1C(=O)O

STK084735
Synonyms: (6Z)- 6- {3- bromo- 4- [2- (2- chlorophenoxy)ethoxy]- 5- methoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCOc1ccccc1Cl)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK084736
Synonyms: (2E)- 3- [4- (dimethylamino)phenyl]- N- (3- methoxypropyl)- 2- (2- oxopyridin- 1(2H)- yl)prop- 2- enamide
Smiles: COCCCNC(=O)/C(=C\c1ccc(cc1)N(C)C)/n1ccccc1=O

STK084762
Synonyms: 3- bromo- N- (4- fluoro- 3- nitrophenyl)- 4- methoxybenzamide
Smiles: COc1ccc(cc1Br)C(=O)Nc1ccc(c(c1)[N+](=O)[O-])F

STK084767
Synonyms: 5- nitro- 2- (pyridin- 4- yl)- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1N(c2ccncc2)C(=O)c2c1cc(cc2)[N+](=O)[O-]

STK084830
Synonyms: phenyl(naphthalen- 2- yloxy)acetate
Smiles: O=C(Oc1ccccc1)COc1ccc2c(c1)cccc2

STK084864
Synonyms: N- (biphenyl- 4- yl)- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1ccc(cc1)c1ccccc1

STK084895
Synonyms: methyl2- ({[(2- bromophenyl)carbonyl]carbamothioyl}amino)- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: COC(=O)c1sc(nc1C)NC(=S)NC(=O)c1ccccc1Br

STK084901
Synonyms: tetramethyl1- methoxyethane- 1,1,2,2- tetracarboxylate
Smiles: COC(=O)C(C(C(=O)OC)(C(=O)OC)OC)C(=O)OC

STK084911
Synonyms: methylN- (4- oxo- 4- {[4- (2- phenylethoxy)phenyl]amino}butanoyl)leucinate
Smiles: COC(=O)C(NC(=O)CCC(=O)Nc1ccc(cc1)OCCc1ccccc1)CC(C)C

STK084933
Synonyms: 2- [4- (tert- butylamino)- 6- (piperidin- 1- yl)- 1,3,5- triazin- 2- yl]- 1- phenylethanone
Smiles: O=C(c1ccccc1)Cc1nc(nc(n1)N1CCCCC1)NC(C)(C)C

STK084937
Synonyms: 2- methyl- 2,3,4,4a,5,9b- hexahydro- 1H- pyrido[4,3- b]indole
Smiles: CN1CCC2C(C1)c1ccccc1N2

STK084938
Synonyms: 1- cyclohexyl- 3,4- dimethyl- 5- {[3- (trifluoromethyl)phenyl]amino}- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CC1=C(C)C(=O)N(C1Nc1cccc(c1)C(F)(F)F)C1CCCCC1

STK084990
Synonyms: [4- (3- chlorophenyl)piperazin- 1- yl](3- methylphenyl)methanone
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)c1cccc(c1)C

STK085010
Synonyms: N,N'- bis[(E)- (5- methylfuran- 2- yl)methylidene]pyridine- 2,6- diamine
Smiles: Cc1ccc(o1)/C=N/c1cccc(n1)/N=C/c1ccc(o1)C

STK085034
Synonyms: 5- [(4- tert- butylphenyl)sulfanyl]- 1- methyl- 3- nitro- 1H- 1,2,4- triazole
Smiles: Cn1nc(nc1Sc1ccc(cc1)C(C)(C)C)[N+](=O)[O-]

STK085041
Synonyms: N- [(1Z)- 2- methyl- 3,4- dihydropyrazino[1,2- a]indol- 1(2H)- ylidene]methanamine
Smiles: C/N=C/1\N(C)CCn2c1cc1c2cccc1

STK085050
Synonyms: (2E)- 1- (2- cyanoethyl)- 2- (4- methoxybenzylidene)hydrazinecarboximidamide
Smiles: COc1ccc(cc1)/C=N/N(C(=N)N)CCC#N

STK085056
Synonyms: N- [2- chloro- 4- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)phenyl]- 2- methylpropanamide
Smiles: O=C(C(C)C)Nc1ccc(cc1Cl)N1C(=O)c2c(C1=O)cccc2

STK085081
Synonyms: 1- (1,3- benzodioxol- 5- ylmethyl)pyrrolidine
Smiles: C1CCN(C1)Cc1ccc2c(c1)OCO2

STK085082
Synonyms: (3R,3aS,7aR)- 3- hydroxy- 2- [1- (1H- indol- 3- yl)propan- 2- yl]- 2,3,3a,4,7,7a- hexahydro- 1H- isoindol- 1- one
Smiles: CC(N1[C@H](O)[C@@H]2[C@H](C1=O)CC=CC2)Cc1c[nH]c2c1cccc2

STK085094
Synonyms: 6,9,9- trimethyl- 5,6,7,8,8a,9,10,10a- octahydroacridine- 4- carboxylicacid
Smiles: CC1CCC2C(C1)Nc1c(C2(C)C)cccc1C(=O)O

STK085137
Synonyms: 3- [(6- methoxy- 4- methylquinazolin- 2- yl)amino]- 5- methyl- 1H- 2,4- benzodiazepin- 1- one
Smiles: COc1ccc2c(c1)c(C)nc(n2)Nc1nc(=O)c2c(c(n1)C)cccc2

STK085183
Synonyms: N- [(E)- (1- benzyl- 1H- indol- 3- yl)methylidene]- 4- chloroaniline
Smiles: Clc1ccc(cc1)/N=C/c1cn(c2c1cccc2)Cc1ccccc1

STK085197
Synonyms: 2- [(3,5- dimethylpiperidin- 1- yl)carbonyl]phenylacetate
Smiles: CC1CC(C)CN(C1)C(=O)c1ccccc1OC(=O)C

STK085207
Synonyms: (10Z)- 10- [3,5- diiodo- 4- (prop- 2- en- 1- yloxy)benzylidene]- 7- (3,4- dimethoxyphenyl)- 5,7- dihydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazolin- 9(10H)- one
Smiles: C=CCOc1c(I)cc(cc1I)/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccc(c(c1)OC)OC)CCc1c3cccc1

STK085231
Synonyms: 2- (1H- indol- 1- yl)- N- [1- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethyl]acetamide
Smiles: O=C(Cn1ccc2c1cccc2)NC(C12CC3CC(C2)CC(C1)C3)C

STK085264
Synonyms: N- (4- {[(2,4- dichlorophenyl)carbonyl]amino}phenyl)- 2- methyl- 3- nitrobenzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)Nc1ccc(cc1)NC(=O)c1cccc(c1C)[N+](=O)[O-]

STK085286
Synonyms: (6Z)- 6- ({1- [2- (4- cyclohexylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2scc(n2C(=N)/C/1=C/c1cn(c2c1cccc2)CCOc1ccc(cc1)C1CCCCC1)c1ccccc1

STK085287
Synonyms: 5- (4- fluorophenyl)- 6- (4- methylphenyl)- 1- phenyl- 1,5- dihydro- 4H- pyrazolo[3,4- d]pyrimidin- 4- one
Smiles: Cc1ccc(cc1)c1nc2c(c(=O)n1c1ccc(cc1)F)cnn2c1ccccc1

STK085301
Synonyms: (5Z)- 5- (3- hydroxybenzylidene)- 3- (propan- 2- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Oc1cccc(c1)/C=C/1\SC(=S)N(C1=O)C(C)C

STK085312
Synonyms: 1,3- diethyl- 2- methyl- 5- nitro- 2- phenyl- 2,3- dihydro- 1H- benzimidazole
Smiles: CCN1c2cc(ccc2N(C1(C)c1ccccc1)CC)[N+](=O)[O-]

STK085325
Synonyms: 2- (2,4- dichlorophenoxy)ethanaminium4- aminobenzenesulfonate
Smiles: Nc1ccc(cc1)S(=O)(=O)[O-].[NH3+]CCOc1ccc(cc1Cl)Cl

STK085337
Synonyms: (2E)- 2- {3- [3- (3,4- dimethylphenoxy)propoxy]benzylidene}- N- phenylhydrazinecarboxamide
Smiles: O=C(Nc1ccccc1)N/N=C/c1cccc(c1)OCCCOc1ccc(c(c1)C)C

STK085340
Synonyms: N- (butan- 2- yl)- 4,6- bis(prop- 2- yn- 1- yloxy)- 1,3,5- triazin- 2- amine
Smiles: C#CCOc1nc(OCC#C)nc(n1)NC(CC)C

STK085391
Synonyms: 1- methyl- 4- {[2- (phenylsulfonyl)prop- 2- en- 1- yl]sulfonyl}benzene
Smiles: Cc1ccc(cc1)S(=O)(=O)CC(=C)S(=O)(=O)c1ccccc1

STK085400
Synonyms: ethyl[1,5- dimethyl- 9- oxo- 7- (propylcarbamothioyl)- 3,7- diazabicyclo[3.3.1]non- 3- yl](oxo)acetate
Smiles: CCCNC(=S)N1CC2(C)CN(CC(C1)(C2=O)C)C(=O)C(=O)OCC

STK085403
Synonyms: 5- {[5- (4- nitrophenyl)furan- 2- yl]methylidene}- 2- phenyl- 1,3- dioxane- 4,6- dione
Smiles: O=C1OC(OC(=O)/C/1=C\c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK085404
Synonyms: 2- [(thiophen- 2- ylmethyl)carbamoyl]cyclohex- 1- ene- 1- carboxylicacid
Smiles: O=C(C1=C(CCCC1)C(=O)O)NCc1cccs1

STK085414
Synonyms: (4E)- 4- {5- bromo- 2- [2- (4- methoxyphenoxy)ethoxy]benzylidene}- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1ccc(cc1)OCCOc1ccc(cc1/C=C/1\C(=NN(C1=O)c1ccccc1)C)Br

STK085458
Synonyms: (azepan- 1- ylmethyl)methylphosphinicacid
Smiles: CP(=O)(CN1CCCCCC1)O

STK085496
Synonyms: (2Z)- 6- bromo- N- (4- methoxyphenyl)- 2- [(3- methoxyphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1cc2cc(Br)ccc2o/c/1=N\c1cccc(c1)OC

STK085499
Synonyms: [1- (cyclohex- 3- en- 1- ylmethyl)piperidin- 4- yl](1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)methanone
Smiles: O=C(N1CC2(CC1CC(C2)(C)C)C)C1CCN(CC1)CC1CCC=CC1

STK085502
Synonyms: 1,1'- (benzene- 1,4- diyldimethanediyl)bis(1'- propyl- 4,4'- bipyridinium)tetrabromide
Smiles: CCC[n+]1ccc(cc1)c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)c1cc[n+](cc1)CCC.[Br-].[Br-].[Br-].[Br-]

STK085531
Synonyms: 2- (2,3- dimethylcyclohexyl)- 3- [(2- fluoro- 4- methylphenyl)amino]- 2,3- dihydro- 1H- isoindol- 1- one
Smiles: Cc1ccc(c(c1)F)NC1N(C2CCCC(C2C)C)C(=O)c2c1cccc2

STK085533
Synonyms: 2- [(6- amino- 4- oxo- 1,4- dihydropyrimidin- 2- yl)sulfanyl]- N- cyclopentylacetamide
Smiles: O=C(NC1CCCC1)CSc1[nH]c(N)cc(=O)n1

STK085588
Synonyms: 8- ethoxy- 1,3,7- trimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCOc1nc2c(n1C)c(=O)n(c(=O)n2C)C

STK085609
Synonyms: (4E)- 4- {5- bromo- 2- [2- (2- chlorophenoxy)ethoxy]benzylidene}- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Brc1ccc(c(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)OCCOc1ccccc1Cl

STK085621
Synonyms: methyl2- {[(E)- {[4,5- dimethoxy- 2- (methoxycarbonyl)phenyl]amino}methylidene]amino}- 4,5- dimethoxybenzoate
Smiles: COC(=O)c1cc(OC)c(cc1N/C=N/c1cc(OC)c(cc1C(=O)OC)OC)OC

STK085630
Synonyms: 5- (acetylamino)benzene- 1,3- diylbis(4- nitrobenzoate)
Smiles: CC(=O)Nc1cc(cc(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK085635
Synonyms: N- [(5- bromopyridin- 2- yl)carbamothioyl]- 2- methyl- 3- nitrobenzamide
Smiles: S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1ccc(cn1)Br

STK085642
Synonyms: 1- (5- amino- 1,3,4- thiadiazol- 2- yl)- 3- [2- (trifluoromethyl)phenyl]urea
Smiles: O=C(Nc1ccccc1C(F)(F)F)Nc1nnc(s1)N

STK085657
Synonyms: (6Z)- 6- {3,5- dichloro- 4- [2- (3,4- dimethylphenoxy)ethoxy]benzylidene}- 5- imino- 2- propyl- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCCc1nn2c(=NC(=O)/C(=C\c3cc(Cl)c(c(c3)Cl)OCCOc3ccc(c(c3)C)C)/C2=N)s1

STK085693
Synonyms: N- {3- [(3,4- dimethylphenyl)carbonyl]phenyl}- 4- methoxy- 3- nitrobenzamide
Smiles: COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1cccc(c1)C(=O)c1ccc(c(c1)C)C

STK085698
Synonyms: (2Z)- 2- [(2,3- dimethylphenyl)imino]- N- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 7- hydroxy- 2H- chromene- 3- carboxamide
Smiles: CCc1ccc(cc1)c1csc(n1)NC(=O)c1cc2ccc(cc2o/c/1=N\c1cccc(c1C)C)O

STK085707
Synonyms: 4- {3- (furan- 2- yl)- 1- hydroxy- 11- [4- (methoxycarbonyl)phenyl]- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl}- 4- oxobutanoicacid
Smiles: COC(=O)c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CCC(=O)O)cccc2)c1ccco1

STK085711
Synonyms: (2Z)- N- acetyl- 7- (diethylamino)- 2- [(2- methoxyphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: CCN(c1ccc2c(c1)o/c(=N\c1ccccc1OC)/c(c2)C(=O)NC(=O)C)CC

STK085728
Synonyms: N- [3- (2,4- dimethylphenoxy)- 2- hydroxypropyl]- 4- methoxy- N- methylbenzamide
Smiles: COc1ccc(cc1)C(=O)N(CC(COc1ccc(cc1C)C)O)C

STK085729
Synonyms: 2,4- dimethyl- N- [(E)- (2- methyl- 1H- indol- 3- yl)methylidene]aniline
Smiles: Cc1ccc(c(c1)C)/N=C/c1c(C)[nH]c2c1cccc2

STK085733
Synonyms: 3- [(2- methylphenoxy)carbonyl]- 2,4- diphenylcyclobutanecarboxylicacid
Smiles: O=C(C1C(c2ccccc2)C(C1c1ccccc1)C(=O)O)Oc1ccccc1C

STK085741
Synonyms: N- tert- butyl- 2- (naphthalen- 1- yloxy)acetamide
Smiles: O=C(NC(C)(C)C)COc1cccc2c1cccc2

STK085755
Synonyms: (5E)- 5- {3- chloro- 5- ethoxy- 4- [2- (4- methoxyphenoxy)ethoxy]benzylidene}- 3- (prop- 2- en- 1- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCN1C(=S)S/C(=C/c2cc(Cl)c(c(c2)OCC)OCCOc2ccc(cc2)OC)/C1=O

STK085789
Synonyms: N- {[4- (4- nitrophenyl)piperazin- 1- yl]carbonothioyl}- 2- phenoxyacetamide
Smiles: S=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])NC(=O)COc1ccccc1

STK085801
Synonyms: (5S)- 5- methyl- 5- {4- [(6- methylheptyl)oxy]phenyl}imidazolidine- 2,4- dione
Smiles: CC(CCCCCOc1ccc(cc1)[C@]1(C)NC(=O)NC1=O)C

STK085804
Synonyms: 3- (propan- 2- yl)piperazine- 2,5- dione
Smiles: O=C1CNC(=O)C(N1)C(C)C

STK085818
Synonyms: N- (1- methoxypropan- 2- yl)- 1- (3- phenylpropyl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)CCCc1ccccc1)C

STK085821
Synonyms: 2- methoxy- 4- (prop- 2- en- 1- yl)phenylpropanoate
Smiles: C=CCc1ccc(c(c1)OC)OC(=O)CC

STK085826
Synonyms: N- tert- butyl- 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: O=C(C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])NC(C)(C)C

STK085844
Synonyms: (2E)- 2- cyano- 3- {3,5- dichloro- 2- [2- (4- methoxyphenoxy)ethoxy]phenyl}- N- (2- methylphenyl)prop- 2- enamide
Smiles: COc1ccc(cc1)OCCOc1c(Cl)cc(cc1/C=C(/C(=O)Nc1ccccc1C)\C#N)Cl

STK085847
Synonyms: 3- hydroxy- 2,2- dimethyl- 3- phenylbutanenitrile
Smiles: N#CC(C(c1ccccc1)(O)C)(C)C

STK085851
Synonyms: 3- bromo- 1- benzofuran
Smiles: Brc1coc2c1cccc2

STK085855
Synonyms: N- [(E)- (3,4,5- trimethoxyphenyl)methylidene]pyridine- 3- carboxamide
Smiles: COc1cc(/C=N/C(=O)c2cccnc2)cc(c1OC)OC

STK085857
Synonyms: 2- [(4- chlorophenyl)sulfanyl]- N- (6- methyl- 1,3- benzothiazol- 2- yl)acetamide
Smiles: O=C(Nc1nc2c(s1)cc(cc2)C)CSc1ccc(cc1)Cl

STK085867
Synonyms: (2E)- N- (5- {[(3- methylbenzyl)sulfanyl]methyl}- 1,3,4- thiadiazol- 2- yl)- 3- phenylprop- 2- enamide
Smiles: O=C(Nc1nnc(s1)CSCc1cccc(c1)C)/C=C/c1ccccc1

STK085876
Synonyms: N- [2- (1- methyl- 1H- indol- 3- yl)ethyl]benzamide
Smiles: O=C(c1ccccc1)NCCc1cn(c2c1cccc2)C

STK085901
Synonyms: 2- oxo- N- (5- propyl- 1,3,4- thiadiazol- 2- yl)- 2H- chromene- 3- carboxamide
Smiles: CCCc1nnc(s1)NC(=O)c1cc2ccccc2oc1=O

STK085923
Synonyms: N'- [(E)- (5- bromo- 2- hydroxyphenyl)methylidene]- 1,3- dimethylpyrido[1,2- a]benzimidazole- 4- carbohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1c(C)cc(n2c1nc1c2cccc1)C)O

STK085939
Synonyms: 2- (4- butoxyphenyl)- 5- (2- chlorophenyl)- 1,3,4- thiadiazole
Smiles: CCCCOc1ccc(cc1)c1nnc(s1)c1ccccc1Cl

STK085944
Synonyms: N- [4- ({[(4- chlorophenyl)acetyl]carbamothioyl}amino)phenyl]propanamide
Smiles: CCC(=O)Nc1ccc(cc1)NC(=S)NC(=O)Cc1ccc(cc1)Cl

STK085977
Synonyms: 4- hydroxy- 3- [2- (4- methoxyphenyl)ethyl]- 4,6,6- trimethyl- 1,3- thiazinane- 2- thione
Smiles: COc1ccc(cc1)CCN1C(=S)SC(CC1(C)O)(C)C

STK085996
Synonyms: N'- (dicyclopropylmethylidene)- 4- hydroxybenzohydrazide
Smiles: O=C(c1ccc(cc1)O)NN=C(C1CC1)C1CC1

STK086004
Synonyms: (1Z)- N'- {[(3- methylphenoxy)acetyl]oxy}- 2- (thiophen- 2- yl)ethanimidamide
Smiles: O=C(COc1cccc(c1)C)O/N=C(/Cc1cccs1)\N

STK086011
Synonyms: 3,4- dihydroxy- N'- [(1Z)- 1- phenylhexylidene]benzohydrazide
Smiles: CCCCC/C(=N/NC(=O)c1ccc(c(c1)O)O)/c1ccccc1

STK086035
Synonyms: methyl(1S,2R,3R,8aS)- 6- acetyl- 3- carbamoyl- 1- cyano- 2- phenyl- 1,2,3,8a- tetrahydroindolizine- 1- carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccccc1)C(=O)N)C(=O)C

STK086041
Synonyms: (4Z)- 4- (3,5- dibromo- 2- hydroxybenzylidene)- 2- phenyl- 1,3- oxazol- 5(4H)- one
Smiles: Brc1cc(/C=C/2\N=C(OC2=O)c2ccccc2)c(c(c1)Br)O

STK086063
Synonyms: 3- (3- methylbenzyl)- 1- (1,3,4- thiadiazol- 2- yl)pyrrolidine- 2,5- dione
Smiles: Cc1cccc(c1)CC1CC(=O)N(C1=O)c1nncs1

STK086069
Synonyms: 4,5- dimethyl- 2- {[2- (pyridin- 4- yl)ethyl]sulfanyl}pyrimidine
Smiles: Cc1cnc(nc1C)SCCc1ccncc1

STK086081
Synonyms: 2- [4- (methoxycarbonyl)benzyl]pyridinium
Smiles: COC(=O)c1ccc(cc1)Cc1cccc[nH+]1

STK086125
Synonyms: 2- amino- 5- benzylthiophene- 3- carbonitrile
Smiles: N#Cc1cc(sc1N)Cc1ccccc1

STK086156
Synonyms: N'- [(E)- {3- [2- (3- methoxyphenoxy)ethoxy]phenyl}methylidene]acetohydrazide
Smiles: COc1cccc(c1)OCCOc1cccc(c1)/C=N/NC(=O)C

STK086178
Synonyms: (5E)- 5- ({1- [4- (dimethylamino)phenyl]- 1H- pyrrol- 2- yl}methylidene)imidazolidine- 2,4- dione
Smiles: O=C1NC(=O)/C(=C\c2cccn2c2ccc(cc2)N(C)C)/N1

STK086180
Synonyms: N- benzyl- N- {[6- (4- methylphenyl)imidazo[2,1- b][1,3]thiazol- 5- yl]methyl}butan- 1- amine
Smiles: CCCCN(Cc1c(nc2n1ccs2)c1ccc(cc1)C)Cc1ccccc1

STK086188
Synonyms: 3- chloro- N- (2- fluorophenyl)benzamide
Smiles: Clc1cccc(c1)C(=O)Nc1ccccc1F

STK086192
Synonyms: (2Z)- 3- [4- (biphenyl- 4- yl)- 1,3- thiazol- 2- yl]- N- hydroxy- 2H- chromen- 2- imine
Smiles: O/N=c/1\oc2ccccc2cc1c1scc(n1)c1ccc(cc1)c1ccccc1

STK086205
Synonyms: 2- (2,4- dibromo- 5- methylphenoxy)- N- (prop- 2- en- 1- yl)acetamide
Smiles: Cc1cc(OCC(=O)NCC=C)c(cc1Br)Br

STK086213
Synonyms: {1- [3- (benzyloxy)benzyl]piperidin- 4- yl}(morpholin- 4- yl)methanone
Smiles: O=C(N1CCOCC1)C1CCN(CC1)Cc1cccc(c1)OCc1ccccc1

STK086223
Synonyms: 2- {[3- (3,6- dichloro- 9H- carbazol- 9- yl)- 2- hydroxypropyl]amino}butan- 1- ol
Smiles: CCC(NCC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O)CO

STK086227
Synonyms: 1- [(6- ethoxynaphthalen- 2- yl)sulfonyl]- 2- methyl- 1H- imidazole
Smiles: CCOc1ccc2c(c1)ccc(c2)S(=O)(=O)n1ccnc1C

STK086228
Synonyms: ethyl5- [(1E)- 1- (2- carbamothioylhydrazinylidene)ethyl]- 3- (3- methoxy- 3- oxopropyl)- 5- methyl- 2- oxotetrahydrofuran- 3- carboxylate
Smiles: CCOC(=O)C1(CCC(=O)OC)CC(OC1=O)(C)/C(=N/NC(=S)N)/C

STK086231
Synonyms: (5- hydroxy- 6- methyl- 4- {(E)- [(2Z)- (3- methyl- 1,3- benzothiazol- 2(3H)- ylidene)hydrazinylidene]methyl}pyridin- 3- yl)methyldihydrogenphosphate
Smiles: Cc1ncc(c(c1O)/C=N/N=c/1\sc2c(n1C)cccc2)COP(=O)(O)O

STK086249
Synonyms: (4E)- 4- [2- (2,5- dimethylphenyl)hydrazinylidene]- 5- methyl- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1ccc(c(c1)N/N=C/1\C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C)C

STK086266
Synonyms: [1- (pyridin- 2- ylmethyl)piperidin- 4- yl](pyrrolidin- 1- yl)methanone
Smiles: O=C(N1CCCC1)C1CCN(CC1)Cc1ccccn1

STK086284
Synonyms: 5- ethyl- 5- methyl- 2- (4- phenyl- 1,3- thiazol- 2- yl)- 1,2,4- triazolidine- 3- thione
Smiles: CCC1(C)NN(C(=S)N1)c1scc(n1)c1ccccc1

STK086335
Synonyms: 3- [(4,7- dimethylquinazolin- 2- yl)amino]- 5- methyl- 1H- 2,4- benzodiazepin- 1- one
Smiles: Cc1ccc2c(c1)nc(nc2C)Nc1nc(=O)c2c(c(n1)C)cccc2

STK086342
Synonyms: 3- {(E)- [(3- methoxyphenyl)imino]methyl}benzene- 1,2- diol
Smiles: COc1cccc(c1)/N=C/c1cccc(c1O)O

STK086351
Synonyms: [4- (4- hydroxyphenyl)- 2,6- dimethyl- 3,4- dihydroquinolin- 1(2H)- yl](phenyl)methanone
Smiles: Cc1ccc2c(c1)C(CC(N2C(=O)c1ccccc1)C)c1ccc(cc1)O

STK086367
Synonyms: N- (4,6- dimethylpyrimidin- 2- yl)- 4- {[(E)- (5- methylthiophen- 2- yl)methylidene]amino}benzenesulfonamide
Smiles: Cc1ccc(s1)/C=N/c1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C

STK086373
Synonyms: N,N'- dibenzyl- N,N'- diethylethanediamide
Smiles: CCN(C(=O)C(=O)N(Cc1ccccc1)CC)Cc1ccccc1

STK086401
Synonyms: (2E)- 1- (4- bromophenyl)- 2- (1- phenylethylidene)hydrazine
Smiles: Brc1ccc(cc1)N/N=C(/c1ccccc1)\C

STK086408
Synonyms: 2- {[5- (ethoxycarbonyl)- 4- methyl- 1,3- thiazol- 2- yl]amino}- 2- oxoethyl1,2,3,4- tetrahydroacridine- 9- carboxylate
Smiles: CCOC(=O)c1sc(nc1C)NC(=O)COC(=O)c1c2CCCCc2nc2c1cccc2

STK086411
Synonyms: 4,4'- bis({[(2,4- dichlorobenzyl)sulfanyl]acetyl}amino)biphenyl- 3,3'- dicarboxylicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)c1ccc(c(c1)C(=O)O)NC(=O)CSCc1ccc(cc1Cl)Cl)CSCc1ccc(cc1Cl)Cl

STK086427
Synonyms: N- (2- chlorophenyl)- 5- {[(4- methylphenyl)carbonyl]amino}- 1- phenyl- 1H- pyrazole- 4- carboxamide
Smiles: Cc1ccc(cc1)C(=O)Nc1c(cnn1c1ccccc1)C(=O)Nc1ccccc1Cl

STK086430
Synonyms: N- (3- methylbenzyl)cyclohexanamine
Smiles: Cc1cccc(c1)CNC1CCCCC1

STK086442
Synonyms: 4- hydroxy- 1- methyl- N'- (2- methylpropanoyl)- 2- oxo- 1,2- dihydroquinoline- 3- carbohydrazide
Smiles: O=C(C(C)C)NNC(=O)c1c(O)c2ccccc2n(c1=O)C

STK086458
Synonyms: methyl6'- bromo- 2,2'- dihydroxy- 1,1'- binaphthalene- 3- carboxylate
Smiles: COC(=O)c1cc2ccccc2c(c1O)c1c(O)ccc2c1ccc(c2)Br

STK086469
Synonyms: 3- phenyl- 5- [4- (trifluoromethyl)phenyl]- 3a,6a- dihydrospiro[furo[3,4- c]pyrrole- 1,2'- indene]- 1',3',4,6(3H,5H)- tetrone
Smiles: O=C1N(c2ccc(cc2)C(F)(F)F)C(=O)C2C1C(OC12C(=O)c2c(C1=O)cccc2)c1ccccc1

STK086499
Synonyms: 2- (4- tert- butylphenoxy)- N'- [(1E,2E)- 3,7- dimethylocta- 2,6- dien- 1- ylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1)C(C)(C)C)N/N=C/C=C(/CCC=C(C)C)\C

STK086522
Synonyms: 2- (2,4- dichlorophenoxy)- 1- [5- hydroxy- 5- (pentafluoroethyl)- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl]ethanone
Smiles: Clc1ccc(c(c1)Cl)OCC(=O)N1N=C(CC1(O)C(C(F)(F)F)(F)F)c1ccccc1

STK086535
Synonyms: 4- {4- [(5- methylhexyl)oxy]phenyl}pyrrolidin- 2- one
Smiles: CC(CCCCOc1ccc(cc1)C1CNC(=O)C1)C

STK086543
Synonyms: 2- (4- cyclohexylphenoxy)- N- (5- ethylthiophen- 2- yl)acetamide
Smiles: CCc1ccc(s1)NC(=O)COc1ccc(cc1)C1CCCCC1

STK086561
Synonyms: N- (propan- 2- yl)- N- [(2,3,7,8- tetramethyl- 1,4,6,9- tetraoxa- 5lambda~5~- phosphaspiro[4.4]non- 5- yl)methyl]propan- 2- amine
Smiles: CC1OP2(OC1C)(CN(C(C)C)C(C)C)OC(C(O2)C)C

STK086565
Synonyms: 2- (4- chlorophenyl)- 6,6- dimethyl- 5,8- dihydro- 4H,6H- pyrano[4',3':4,5]thieno[2,3- d][1,3]oxazin- 4- one
Smiles: Clc1ccc(cc1)c1oc(=O)c2c(n1)sc1c2CC(OC1)(C)C

STK086594
Synonyms: N'- [(E)- (3- fluorophenyl)methylidene]- 4- hydroxy- 2- oxo- 1- (prop- 2- en- 1- yl)- 1,2- dihydroquinoline- 3- carbohydrazide
Smiles: C=CCn1c(=O)c(C(=O)N/N=C/c2cccc(c2)F)c(c2c1cccc2)O

STK086597
Synonyms: 4- butoxy- N- (2- phenyl- 1,3- benzoxazol- 5- yl)benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)Nc1ccc2c(c1)nc(o2)c1ccccc1

STK086599
Synonyms: 2- methyl- N- [(E)- naphthalen- 2- ylmethylidene]- 4- nitroaniline
Smiles: Cc1cc(ccc1/N=C/c1ccc2c(c1)cccc2)[N+](=O)[O-]

STK086600
Synonyms: N'- (3- oxocyclohex- 1- en- 1- yl)cyclopropanecarbohydrazide
Smiles: O=C1CCCC(=C1)NNC(=O)C1CC1

STK086601
Synonyms: (3Z)- N- hydroxy- 2- (4- phenyl- 1,3- thiazol- 2- yl)- 3H- benzo[f]chromen- 3- imine
Smiles: O/N=c/1\oc2ccc3c(c2cc1c1scc(n1)c1ccccc1)cccc3

STK086616
Synonyms: 2- [(E)- (1H- benzimidazol- 2- ylimino)methyl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)/C=N/c1nc2c([nH]1)cccc2

STK086619
Synonyms: (5E)- 8- bromo- 6- (2- chlorophenyl)- 3- oxo- 1,2,3,4- tetrahydro- 1,5- benzodiazocin- 4- ylbeta- alaninate
Smiles: NCCC(=O)OC1N=C(c2ccccc2Cl)c2cc(Br)ccc2NCC1=O

STK086649
Synonyms: 5- (4- hydroxy- 3- methoxyphenyl)- 8,8- dimethyl- 5,8,9,10- tetrahydropyrimido[4,5- b]quinoline- 2,4,6(1H,3H,7H)- trione
Smiles: COc1cc(ccc1O)C1C2=C(Nc3c1c(=O)[nH]c(=O)[nH]3)CC(CC2=O)(C)C

STK086652
Synonyms: (4E)- 3- (4- nitrophenyl)- 5- oxo- 4- {2- [3- (trifluoromethyl)phenyl]hydrazinylidene}- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: NC(=S)N1N=C(/C(=N\Nc2cccc(c2)C(F)(F)F)/C1=O)c1ccc(cc1)[N+](=O)[O-]

STK086653
Synonyms: 4- [(E)- (3- bromophenyl)diazenyl]benzaldehyde
Smiles: O=Cc1ccc(cc1)/N=N/c1cccc(c1)Br

STK086654
Synonyms: 5- tert- butyl- N- hydroxy- 1H- pyrazole- 3- carboxamide
Smiles: ONC(=O)c1cc([nH]n1)C(C)(C)C

STK086662
Synonyms: N- {[5- (butan- 2- yl)- 2- hydroxyphenyl]carbamothioyl}- 2- nitrobenzamide
Smiles: CCC(c1ccc(c(c1)NC(=S)NC(=O)c1ccccc1[N+](=O)[O-])O)C

STK086673
Synonyms: N- (4- ethylphenyl)biphenyl- 4- carboxamide
Smiles: CCc1ccc(cc1)NC(=O)c1ccc(cc1)c1ccccc1

STK086674
Synonyms: N'- (acridin- 9- yl)- 2- (2- methoxyphenoxy)acetohydrazide
Smiles: COc1ccccc1OCC(=O)NNc1c2ccccc2nc2c1cccc2

STK086677
Synonyms: ethyl5- {[(5- bromonaphthalen- 1- yl)carbonyl]amino}- 4- cyano- 3- methylthiophene- 2- carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1cccc2c1cccc2Br

STK086693
Synonyms: 1- (2- hydroxybenzyl)piperidine- 4- carboxylicacid
Smiles: OC(=O)C1CCN(CC1)Cc1ccccc1O

STK086696
Synonyms: (6Z)- 6- {3- chloro- 5- methoxy- 4- [2- (4- methoxyphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1ccc(cc1)OCCOc1c(Cl)cc(cc1OC)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK086698
Synonyms: 3- (2- amino- 1,3- thiazol- 4- yl)- 3- methyl- 8- [(3- methylbutoxy)methyl]- 2,7- dioxaspiro[4.4]nonane- 1,6- dione
Smiles: CC(CCOCC1OC(=O)C2(C1)CC(OC2=O)(C)c1csc(n1)N)C

STK086742
Synonyms: (1E)- 5- (diethylamino)- 1- (4- methoxyphenyl)pent- 1- en- 3- one
Smiles: CCN(CCC(=O)/C=C/c1ccc(cc1)OC)CC

STK086823
Synonyms: N- cyclohexyl- 3- methyl- 4- (4- methylphenyl)butanamide
Smiles: CC(Cc1ccc(cc1)C)CC(=O)NC1CCCCC1

STK086847
Synonyms: methyl3- cyano- 3- phenylpropanoate
Smiles: COC(=O)CC(c1ccccc1)C#N

STK086862
Synonyms: S- (4,6,7- trimethylquinazolin- 2- yl)(3,4- dichlorophenyl)carbamothioate
Smiles: O=C(Sc1nc(C)c2c(n1)cc(c(c2)C)C)Nc1ccc(c(c1)Cl)Cl

STK086886
Synonyms: 8- chloro- 7- (3,4- dichlorobenzyl)- 1,3- dimethyl- 3,4,5,7- tetrahydro- 1H- purine- 2,6- dione
Smiles: CN1C(=O)N(C)C2C(C1=O)N(Cc1ccc(c(c1)Cl)Cl)C(=N2)Cl

STK086891
Synonyms: N- [3- (1H- imidazol- 1- yl)propyl]- 2- methoxyacetamide
Smiles: COCC(=O)NCCCn1cncc1

STK086955
Synonyms: 2,2,3,3- tetrafluoropropyl5- [(2- bromophenyl)amino]- 5- oxopentanoate
Smiles: O=C(OCC(C(F)F)(F)F)CCCC(=O)Nc1ccccc1Br

STK086961
Synonyms: 2- {[1- (4- fluoro- 3- phenoxyphenyl)- 3- methoxy- 3- oxopropyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: COC(=O)CC(c1ccc(c(c1)Oc1ccccc1)F)NC(=O)C1CCCCC1C(=O)O

STK086962
Synonyms: N- (2- cyclopropylphenyl)acetamide
Smiles: CC(=O)Nc1ccccc1C1CC1

STK086964
Synonyms: N- (1- methyl- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 4- yl)- 2- (4- methylpiperidin- 1- yl)acetamide
Smiles: CC1CCN(CC1)CC(=O)Nc1c2CCN(c2nc2c1cccc2)C

STK086986
Synonyms: N- [5- (morpholin- 4- ylsulfonyl)- 2- (2- oxopyrrolidin- 1- yl)phenyl]benzenesulfonamide
Smiles: O=C1CCCN1c1ccc(cc1NS(=O)(=O)c1ccccc1)S(=O)(=O)N1CCOCC1

STK087041
Synonyms: N'- [(2Z)- butan- 2- ylidene]- 4- nitrobenzohydrazide
Smiles: CC/C(=N\NC(=O)c1ccc(cc1)[N+](=O)[O-])/C

STK087049
Synonyms: 5- ({[2- (2- methoxyphenoxy)ethyl]sulfanyl}methyl)- 1,3,4- thiadiazol- 2- amine
Smiles: COc1ccccc1OCCSCc1nnc(s1)N

STK087111
Synonyms: 1,3- benzodioxole- 5- carboxamide
Smiles: NC(=O)c1ccc2c(c1)OCO2

STK087151
Synonyms: 4- oxo- 3,4- dihydro- 2H- [1,3]thiazino[3,2- a]benzimidazole- 2- carboxylicacid
Smiles: OC(=O)C1CC(=O)n2c(S1)nc1c2cccc1

STK087159
Synonyms: 4- nitro- N'- [(1E)- 1- (2,4,6- trimethylpyridin- 3- yl)ethylidene]benzohydrazide
Smiles: Cc1cc(C)c(c(n1)C)/C(=N/NC(=O)c1ccc(cc1)[N+](=O)[O-])/C

STK087161
Synonyms: azocan- 1- yl(2- chloro- 4- nitrophenyl)methanone
Smiles: Clc1cc(ccc1C(=O)N1CCCCCCC1)[N+](=O)[O-]

STK087162
Synonyms: (4E)- 5- {[(4- chlorophenyl)sulfanyl]methyl}- 4- (2- methoxybenzylidene)- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1ccccc1/C=C/1\C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl

STK087179
Synonyms: 3- [4- (benzyloxy)phenyl]- N'- [(1E)- 1- (3,4- dimethoxyphenyl)ethylidene]- 1H- pyrazole- 5- carbohydrazide
Smiles: COc1cc(ccc1OC)/C(=N/NC(=O)c1[nH]nc(c1)c1ccc(cc1)OCc1ccccc1)/C

STK087181
Synonyms: N- (heptan- 2- yl)- N'- [(5- methylfuran- 2- yl)methyl]butanediamide
Smiles: CCCCCC(NC(=O)CCC(=O)NCc1ccc(o1)C)C

STK087197
Synonyms: 2- [2- (9H- carbazol- 9- yl)- 2- oxoethyl]hexahydro- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1N(CC(=O)n2c3ccccc3c3c2cccc3)C(=O)C2C1CCCC2

STK087206
Synonyms: (3Z)- 3- (2,4- dichlorobenzylidene)- 5- (2,4- dimethylphenyl)furan- 2(3H)- one- (3Z)- 3- benzylidene- 5- phenylfuran- 2(3H)- one(1:1)
Smiles: O=C1OC(=C/C/1=C/c1ccccc1)c1ccccc1.Clc1ccc(c(c1)Cl)/C=C\1/C=C(OC1=O)c1ccc(cc1C)C

STK087223
Synonyms: 5- (2- amino- 1,3- thiazol- 4- yl)- 5- methyl- 3- (2- methylpropyl)dihydrofuran- 2(3H)- one
Smiles: CC(CC1CC(OC1=O)(C)c1csc(n1)N)C

STK087225
Synonyms: [4- (ethoxycarbonyl)- 5- methyl- 2- oxo- 1- phenyl- 2,3- dihydro- 1H- pyrrol- 3- yl]aceticacid
Smiles: CCOC(=O)C1=C(C)N(C(=O)C1CC(=O)O)c1ccccc1

STK087255
Synonyms: N- (3,5- dimethyl- 1- phenyl- 1H- pyrazol- 4- yl)- 2- phenylbutanamide
Smiles: CCC(C(=O)Nc1c(C)nn(c1C)c1ccccc1)c1ccccc1

STK087273
Synonyms: (3E)- 3- [(dimethylamino)methylidene]- 1- phenylpyrrolidin- 2- one
Smiles: CN(/C=C/1\CCN(C1=O)c1ccccc1)C

STK087301
Synonyms: 6,6- dimethyl- 2- (3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl)- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC1=NN(C(=O)C1)c1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C

STK087307
Synonyms: N- benzyl- 1- (3,5- dimethoxybenzyl)- N- (2- phenylethyl)piperidine- 4- carboxamide
Smiles: COc1cc(CN2CCC(CC2)C(=O)N(Cc2ccccc2)CCc2ccccc2)cc(c1)OC

STK087314
Synonyms: 6- ethyl- 7- methyl- 2- (piperidin- 1- yl)- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)N1CCCCC1

STK087329
Synonyms: 5a- (1,2- oxazinan- 2- yl)- 3,12- diphenyl- 5a,6,7,8,9,9a- hexahydrobis[1,2,4,5]tetrazino[1,6- a:6',1'- c]quinoxaline
Smiles: c1ccc(cc1)c1nnc2=c3nnc(nn3C3(C(n2n1)CCCC3)N1CCCCO1)c1ccccc1

STK087342
Synonyms: 1- (2- ethoxybenzyl)- N- (3- ethoxypropyl)piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1ccccc1OCC

STK087363
Synonyms: 1- {5- [(4- methoxyphenoxy)methyl]- 1,3,4- thiadiazol- 2- yl}- 3- (4- methoxyphenyl)urea
Smiles: COc1ccc(cc1)OCc1nnc(s1)NC(=O)Nc1ccc(cc1)OC

STK087403
Synonyms: N'- [(E)- (3- ethoxy- 4- hydroxy- 5- iodophenyl)methylidene]- 2- (naphthalen- 1- ylamino)acetohydrazide(non- preferredname)
Smiles: CCOc1cc(/C=N/NC(=O)CNc2cccc3c2cccc3)cc(c1O)I

STK087411
Synonyms: 2- (4- tert- butylphenoxy)- N- [2- (4- methoxyphenyl)- 2H- benzotriazol- 5- yl]acetamide
Smiles: COc1ccc(cc1)n1nc2c(n1)ccc(c2)NC(=O)COc1ccc(cc1)C(C)(C)C

STK087460
Synonyms: (5S)- 5- methyl- 5- {4- [(7- methyloctyl)oxy]phenyl}imidazolidine- 2,4- dione
Smiles: CC(CCCCCCOc1ccc(cc1)[C@]1(C)NC(=O)NC1=O)C

STK087463
Synonyms: N'- [(1E,2E)- 3,7- dimethylocta- 2,6- dien- 1- ylidene]- 3,5- dihydroxybenzohydrazide
Smiles: C/C(=C\C=N\NC(=O)c1cc(O)cc(c1)O)/CCC=C(C)C

STK087470
Synonyms: 5- ({1- [4- (dimethylamino)phenyl]- 2,5- dimethyl- 1H- pyrrol- 3- yl}methylidene)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C)C(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)N(C)C)C)C(=O)N1C

STK087488
Synonyms: ethyl4- oxo- 2- (phenylamino)- 4,5- dihydro- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)C1SC(=NC1=O)Nc1ccccc1

STK087491
Synonyms: N- [2- (methylsulfanyl)- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]- 1- benzofuran- 2- carboxamide
Smiles: CSC1N=C(NC(=O)c2cc3c(o2)cccc3)c2c(N1)sc1c2CCCC1

STK087517
Synonyms: N- [bis(4- methoxyphenyl)methyl]- 2- (2- bromo- 4,5- dimethoxyphenyl)acetamide
Smiles: COc1ccc(cc1)C(c1ccc(cc1)OC)NC(=O)Cc1cc(OC)c(cc1Br)OC

STK087554
Synonyms: 1- [(2E)- 2- {3- [(3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)methyl]- 4- methoxybenzylidene}hydrazinyl]- 1H- 1,2,4- triazole
Smiles: COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)/C=N/Nn1cncn1

STK087556
Synonyms: 3- ethynylbenzoicacid
Smiles: C#Cc1cccc(c1)C(=O)O

STK087563
Synonyms: N- cyclohexyl- 2- [(5- methyl- 1,4- diphenyl- 1H- imidazol- 2- yl)sulfanyl]acetamide
Smiles: O=C(NC1CCCCC1)CSc1nc(c(n1c1ccccc1)C)c1ccccc1

STK087604
Synonyms: N~2~- [4,6- bis(propan- 2- ylamino)- 1,3,5- triazin- 2- yl]- N~2~- cyano- N,N- diethylglycinamide
Smiles: N#CN(c1nc(NC(C)C)nc(n1)NC(C)C)CC(=O)N(CC)CC

STK087609
Synonyms: 4- (diethylamino)benzoicacid- N- (4- chloro- 3- nitrophenyl)- 4- (diethylamino)benzamide(1:1)
Smiles: CCN(c1ccc(cc1)C(=O)O)CC.CCN(c1ccc(cc1)C(=O)Nc1ccc(c(c1)[N+](=O)[O-])Cl)CC

STK087615
Synonyms: 2- [(4- methylpyrimidin- 2- yl)oxy]- 3,3- diphenyl- 3- propoxypropanoicacid
Smiles: CCCOC(C(C(=O)O)Oc1nccc(n1)C)(c1ccccc1)c1ccccc1

STK087638
Synonyms: N- butyl- 1- [(2E)- 3- phenylprop- 2- en- 1- yl]piperidine- 4- carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)C/C=C/c1ccccc1

STK087652
Synonyms: (2Z)- 3- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 2- (1,3- thiazol- 2- ylimino)- 2H- chromen- 7- ol
Smiles: CCc1ccc(cc1)c1csc(n1)c1cc2ccc(cc2o/c/1=N\c1nccs1)O

STK087704
Synonyms: 3- bromo- 4- methoxybenzoylchloride
Smiles: COc1ccc(cc1Br)C(=O)Cl

STK087714
Synonyms: 2- [(3- carboxypropanoyl)amino]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylicacid
Smiles: OC(=O)CCC(=O)Nc1sc2c(c1C(=O)O)CCCC2

STK087724
Synonyms: 1- (4,5- dimethoxy- 2- nitrobenzyl)piperidine- 4- carboxylicacid
Smiles: COc1cc(CN2CCC(CC2)C(=O)O)c(cc1OC)[N+](=O)[O-]

STK087786
Synonyms: (4E)- 4- [(2- hydroxynaphthalen- 1- yl)methylidene]- 1- phenylpyrazolidine- 3,5- dione
Smiles: O=C1NN(C(=O)/C/1=C/c1c(O)ccc2c1cccc2)c1ccccc1

STK087797
Synonyms: 2- [(phenylcarbonyl)amino]- N- (2- phenylethyl)benzamide
Smiles: O=C(c1ccccc1)Nc1ccccc1C(=O)NCCc1ccccc1

STK087831
Synonyms: 1- cyclopropyl- 2- [4- methoxy- 6- (methylamino)- 1,3,5- triazin- 2- yl]ethanone
Smiles: CNc1nc(nc(n1)OC)CC(=O)C1CC1

STK087847
Synonyms: N- (4- {(2Z)- 2- [3- (4- nitrophenyl)- 5- oxo- 1- (4- phenyl- 1,3- thiazol- 2- yl)- 1,5- dihydro- 4H- pyrazol- 4- ylidene]hydrazinyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/N=C\1/C(=NN(C1=O)c1scc(n1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK087875
Synonyms: 3- [(E)- ({4- [(E)- phenyldiazenyl]phenyl}imino)methyl]benzene- 1,2- diol
Smiles: Oc1cccc(c1O)/C=N/c1ccc(cc1)/N=N/c1ccccc1

STK087886
Synonyms: potassium3- [(E)- morpholin- 4- yldiazenyl]benzoate
Smiles: [O-]C(=O)c1cccc(c1)/N=N/N1CCOCC1.[K+]

STK087899
Synonyms: N- [1- (thiophen- 2- yl)ethyl]acetamide
Smiles: CC(=O)NC(c1cccs1)C

STK087904
Synonyms: N- (4- methoxy- 6- methylpyrimidin- 2- yl)- N- [(4- methylphenyl)sulfonyl]glycine
Smiles: COc1cc(C)nc(n1)N(S(=O)(=O)c1ccc(cc1)C)CC(=O)O

STK087914
Synonyms: 2- (4- phenylpiperazin- 1- yl)- N- (pyridin- 2- yl)acetamide
Smiles: O=C(Nc1ccccn1)CN1CCN(CC1)c1ccccc1

STK087922
Synonyms: 4- (benzyloxy)- N- (4- phenyl- 1,3- thiazol- 2- yl)benzamide
Smiles: O=C(c1ccc(cc1)OCc1ccccc1)Nc1scc(n1)c1ccccc1

STK087930
Synonyms: 1- [3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]- N- (2- hydroxyethyl)piperidine- 4- carboxamide
Smiles: OCCNC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F

STK087940
Synonyms: 2- [(2- fluorobenzyl)sulfanyl]- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSCc1ccccc1F

STK087956
Synonyms: 4- methylmorpholin- 4- ium3,5- dicyano- 4- methyl- 6- oxo- 1,4,5,6- tetrahydropyridine- 2- thiolate
Smiles: C[NH+]1CCOCC1.N#CC1C(=O)NC(=C(C1C)C#N)[S-]

STK087968
Synonyms: 4,8- diethoxy- 2- (furan- 2- ylmethyl)- 1,3- dimethyl- 2,6- dihydrocyclohepta[c]pyrrol- 6- ylium
Smiles: CCOC1=C[CH+]C=C(c2c1c(C)n(c2C)Cc1ccco1)OCC

STK087991
Synonyms: (2E)- 3- {3- chloro- 4- [2- (3,4- dimethylphenoxy)ethoxy]phenyl}- 2- cyano- N- (furan- 2- ylmethyl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(c(c1)Cl)OCCOc1ccc(c(c1)C)C)/C(=O)NCc1ccco1

STK087998
Synonyms: 3- [(4- aminophenyl)sulfonyl]- 1,3- thiazolidine- 2- carboxylicacid
Smiles: OC(=O)C1SCCN1S(=O)(=O)c1ccc(cc1)N

STK088004
Synonyms: N- cyclohexyl- 5- (4- methoxyphthalazin- 1- yl)- 2- methylbenzenesulfonamide
Smiles: COc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NC1CCCCC1)C

STK088010
Synonyms: 2- [(dimethylamino)methyl]- 6- nitrophenyldimethylcarbamate
Smiles: CN(Cc1cccc(c1OC(=O)N(C)C)[N+](=O)[O-])C

STK088029
Synonyms: 3- ({[(4- ethylphenoxy)acetyl]carbamothioyl}amino)- 2- methylbenzoicacid
Smiles: CCc1ccc(cc1)OCC(=O)NC(=S)Nc1cccc(c1C)C(=O)O

STK088052
Synonyms: N- benzyl- N- tert- butyl- 2- [4- (propan- 2- yl)phenoxy]acetamide
Smiles: CC(c1ccc(cc1)OCC(=O)N(C(C)(C)C)Cc1ccccc1)C

STK088083
Synonyms: 1- (4- ethylbenzyl)- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1)CC)C

STK088087
Synonyms: 4- methoxy- N,N- dimethyl- 3- nitrobenzamide
Smiles: COc1ccc(cc1[N+](=O)[O-])C(=O)N(C)C

STK088092
Synonyms: 2- methoxyethyl2- amino- 5- oxo- 4- (pyridin- 3- yl)- 5,6- dihydro- 4H- pyrano[3,2- c]quinoline- 3- carboxylate
Smiles: COCCOC(=O)C1=C(N)Oc2c(C1c1cccnc1)c(=O)[nH]c1c2cccc1

STK088109
Synonyms: 4- [(E)- (phenylimino)methyl]benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)/C=N/c1ccccc1

STK088136
Synonyms: (2E)- 2- [(1- {2- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]ethyl}- 1H- indol- 3- yl)methylidene]hydrazinecarboxamide
Smiles: C=CCc1ccc(c(c1)OC)OCCn1cc(c2c1cccc2)/C=N/NC(=O)N

STK088152
Synonyms: methyl[5- {2- [(4- fluorophenyl)amino]- 2- oxoethyl}- 4- oxo- 3- (2- phenylethyl)- 2- thioxoimidazolidin- 1- yl]acetate
Smiles: COC(=O)CN1C(CC(=O)Nc2ccc(cc2)F)C(=O)N(C1=S)CCc1ccccc1

STK088174
Synonyms: N- benzyl- 3- (1H- indol- 1- yl)propan- 1- amine
Smiles: c1ccc(cc1)CNCCCn1ccc2c1cccc2

STK088185
Synonyms: 2- {[(3- chlorophenyl)carbamoyl]amino}benzoicacid
Smiles: O=C(Nc1ccccc1C(=O)O)Nc1cccc(c1)Cl

STK088206
Synonyms: 2- (1H- benzotriazol- 1- yl)- N'- [(E)- (5- methylthiophen- 2- yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc2c1cccc2)N/N=C/c1ccc(s1)C

STK088213
Synonyms: 5- (4- butylcyclohexyl)- 3- [4- (4- pentylcyclohexyl)phenyl]- 1,2,4- oxadiazole
Smiles: CCCCCC1CCC(CC1)c1ccc(cc1)c1noc(n1)C1CCC(CC1)CCCC

STK088228
Synonyms: N- (3- butoxypropyl)pyridine- 3- carboxamide
Smiles: CCCCOCCCNC(=O)c1cccnc1

STK088236
Synonyms: 2- {[(2- bromophenyl)carbonyl]amino}- N- (4- methylphenyl)- 5,6,7,8- tetrahydro- 4H- cyclohepta[b]thiophene- 3- carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccccc1Br

STK088256
Synonyms: methylN- (4- {[2- (3,4- dimethoxyphenyl)ethyl]amino}- 4- oxobutanoyl)glycinate
Smiles: COC(=O)CNC(=O)CCC(=O)NCCc1ccc(c(c1)OC)OC

STK088262
Synonyms: (4Z)- 2- [4- (4- butylphenyl)- 1,3- thiazol- 2- yl]- 4- [2- (4- iodo- 2- methylphenyl)hydrazinylidene]- 5- methyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CCCCc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2ccc(cc2C)I)/C1=O)C

STK088265
Synonyms: (2E)- N- benzyl- 2- cyano- 3- [2- methyl- 1- (2- methylbenzyl)- 1H- indol- 3- yl]prop- 2- enamide
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)Cc1ccccc1C)/C(=O)NCc1ccccc1

STK088270
Synonyms: 8- chloro- 4- (pyridin- 2- ylsulfanyl)[1]benzofuro[3,2- d]pyrimidine
Smiles: Clc1ccc2c(c1)c1ncnc(c1o2)Sc1ccccn1

STK088276
Synonyms: 1- (7- methyl- 5- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl)- 3- [2- (trifluoromethyl)phenyl]urea
Smiles: O=C(Nc1ccccc1C(F)(F)F)Nc1nn2c(s1)nc(cc2=O)C

STK088281
Synonyms: 2- bromo- N- [(E)- (4- methoxynaphthalen- 1- yl)methylidene]- 4- nitroaniline
Smiles: COc1ccc(c2c1cccc2)/C=N/c1ccc(cc1Br)[N+](=O)[O-]

STK088302
Synonyms: 2,4- dimethoxy- N- (2- methyl- 4- nitrophenyl)benzamide
Smiles: COc1ccc(c(c1)OC)C(=O)Nc1ccc(cc1C)[N+](=O)[O-]

STK088320
Synonyms: 2- {(2E)- 2- [4- (benzyloxy)benzylidene]hydrazinyl}- N- (3- chloro- 4- methylphenyl)- 2- oxoacetamide
Smiles: O=C(C(=O)N/N=C/c1ccc(cc1)OCc1ccccc1)Nc1ccc(c(c1)Cl)C

STK088328
Synonyms: N- {(Z)- (acetylamino)[(4- methylquinazolin- 2- yl)amino]methylidene}acetamide
Smiles: CC(=O)N/C(=N\C(=O)C)/Nc1nc(C)c2c(n1)cccc2

STK088339
Synonyms: potassium4- [(E)- piperidin- 1- yldiazenyl]benzoate
Smiles: [O-]C(=O)c1ccc(cc1)/N=N/N1CCCCC1.[K+]

STK088370
Synonyms: 4- ({[4- (4- chlorophenyl)- 3- cyano- 6- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}methyl)benzoicacid
Smiles: N#Cc1c(SCc2ccc(cc2)C(=O)O)nc(cc1c1ccc(cc1)Cl)c1cccs1

STK088412
Synonyms: 1H- benzimidazol- 1- yl(4- ethoxyphenyl)methanone
Smiles: CCOc1ccc(cc1)C(=O)n1cnc2c1cccc2

STK088530
Synonyms: 4- (5- {(Z)- [2- (2- chlorophenyl)- 5- imino- 7- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}furan- 2- yl)benzoicacid
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(o1)c1ccc(cc1)C(=O)O)c1ccccc1Cl

STK088546
Synonyms: (2E)- 3- [(4- bromo- 2- chlorophenyl)amino]- 1- (4- bromophenyl)but- 2- en- 1- one
Smiles: Brc1ccc(cc1)C(=O)/C=C(/Nc1ccc(cc1Cl)Br)\C

STK088548
Synonyms: methyl4- {[(2,6- dichlorophenyl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)c1c(Cl)cccc1Cl

STK088571
Synonyms: 6- amino- 1- benzyl- 3- methyl- 4- phenyl- 4,7- dihydro- 1H- indazole- 5- carbonitrile
Smiles: N#CC1=C(N)Cc2c(C1c1ccccc1)c(C)nn2Cc1ccccc1

STK088606
Synonyms: ethyl(2Z)- 5- (cyclohex- 1- en- 1- yl)- 2- {(1E)- 1- [2- (2,4- dinitrophenyl)hydrazinylidene]ethyl}pent- 2- en- 4- ynoate
Smiles: CCOC(=O)/C(=C\C#CC1=CCCCC1)/C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C

STK088627
Synonyms: 6,6- dimethyl- 2- (methylsulfanyl)- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- imine
Smiles: CSc1nc2sc3c(c2c(=N)n1c1ccccc1)CC(OC3)(C)C

STK088629
Synonyms: pyridin- 2- yl3- bromobenzoate
Smiles: Brc1cccc(c1)C(=O)Oc1ccccn1

STK088637
Synonyms: 2- [(Z)- (5- bromo- 1- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]- 3- ethylquinazolin- 4(3H)- one
Smiles: CCn1c(/C=C\2/c3cc(Br)ccc3N(C2=O)C)nc2c(c1=O)cccc2

STK088647
Synonyms: N- (1,5- dihydro- 2,4- benzodioxepin- 3- ylmethyl)butan- 1- amine- iodomethane(1:1)
Smiles: CCCCNCC1OCc2c(CO1)cccc2.IC

STK088667
Synonyms: (4- methylpiperidin- 1- yl){1- [(3- methylthiophen- 2- yl)methyl]piperidin- 4- yl}methanone
Smiles: CC1CCN(CC1)C(=O)C1CCN(CC1)Cc1sccc1C

STK088676
Synonyms: 1- (2,2- dichlorocyclopropyl)- 4- nitrosobenzene
Smiles: O=Nc1ccc(cc1)C1CC1(Cl)Cl

STK088688
Synonyms: (6Z)- 2- benzyl- 6- {[5- (3- chlorophenyl)furan- 2- yl]methylidene}- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1cccc(c1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1

STK088693
Synonyms: 4- (1H- indol- 3- yl)- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)c1c[nH]c2c1cccc2

STK088723
Synonyms: 3,3- dimethyl- 3,4- dihydro- 1H- benzo[c]chromene- 1,6(2H)- dione
Smiles: O=C1CC(C)(C)Cc2c1c1ccccc1c(=O)o2

STK088741
Synonyms: 5- {[(E)- (3- chloro- 4- {2- [4- (hexyloxy)phenoxy]ethoxy}- 5- methoxyphenyl)methylidene]amino}pyrimidine- 2,4(1H,3H)- dione
Smiles: CCCCCCOc1ccc(cc1)OCCOc1c(Cl)cc(cc1OC)/C=N/c1c[nH]c(=O)[nH]c1=O

STK088742
Synonyms: 2- (prop- 2- en- 1- yl)- 2,3- dihydro- 1H- isoindole- 5- carboxylicacid
Smiles: C=CCN1Cc2c(C1)ccc(c2)C(=O)O

STK088761
Synonyms: 2- amino- N- {(E)- amino[(5- nitro- 1,3- benzoxazol- 2- yl)amino]methylidene}benzamide
Smiles: N/C(=N\C(=O)c1ccccc1N)/Nc1nc2c(o1)ccc(c2)[N+](=O)[O-]

STK088768
Synonyms: N,N- dimethyl- 1H- indole- 2- carboxamide
Smiles: O=C(c1cc2c([nH]1)cccc2)N(C)C

STK088782
Synonyms: 2- chloro- 4,6- bis(4- methylpiperidin- 1- yl)- 1,3,5- triazine
Smiles: CC1CCN(CC1)c1nc(nc(n1)Cl)N1CCC(CC1)C

STK088783
Synonyms: 3- [2- (1,2- dihydroacenaphthylen- 5- yl)- 2- oxoethyl]- 3- hydroxy- 1- (prop- 2- en- 1- yl)- 1,3- dihydro- 2H- indol- 2- one
Smiles: C=CCN1c2ccccc2C(C1=O)(O)CC(=O)c1ccc2c3c1cccc3CC2

STK088787
Synonyms: 5,7- dihydroxy- 4- phenyl- 2H- chromen- 2- one
Smiles: Oc1cc(O)c2c(c1)oc(=O)cc2c1ccccc1

STK088800
Synonyms: disodium3- (furan- 2- yl)- 2- {[(2- oxopyrrolidin- 1- yl)methyl]phosphinato}propanoate
Smiles: [Na]OC(=O)C(P(=O)(CN1CCCC1=O)O[Na])Cc1ccco1

STK088827
Synonyms: N- (cyclopropylmethyl)- 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]- N- propylpiperidine- 4- carboxamide
Smiles: CCCN(C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)CC1CC1

STK088837
Synonyms: 5- chloro- 2- ({[(2E)- 3- (4- chloro- 3- nitrophenyl)prop- 2- enoyl]carbamothioyl}amino)benzoicacid
Smiles: O=C(NC(=S)Nc1ccc(cc1C(=O)O)Cl)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STK088846
Synonyms: (2Z)- 6- chloro- N- (3- methoxyphenyl)- 2- [(2- methoxyphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: COc1cccc(c1)NC(=O)c1cc2cc(Cl)ccc2o/c/1=N\c1ccccc1OC

STK088879
Synonyms: 4- benzyl- N- [(1Z)- 1- (3- methoxyphenyl)ethylidene]piperazin- 1- amine
Smiles: COc1cccc(c1)/C(=N\N1CCN(CC1)Cc1ccccc1)/C

STK088882
Synonyms: (5Z)- 5- {[1- (4- chlorobenzyl)- 2,5- dimethyl- 1H- indol- 3- yl]methylidene}- 3- (3- chlorophenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Clc1ccc(cc1)Cn1c(C)c(c2c1ccc(c2)C)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)Cl

STK088898
Synonyms: 4- chloro- N- {3- (4- fluorophenyl)- 5- [2- (methylamino)- 2- oxoethyl]- 4- oxo- 2- thioxoimidazolidin- 1- yl}benzamide
Smiles: CNC(=O)CC1C(=O)N(C(=S)N1NC(=O)c1ccc(cc1)Cl)c1ccc(cc1)F

STK088920
Synonyms: N- (pyridin- 4- ylmethyl)piperidine- 4- carboxamide
Smiles: O=C(C1CCNCC1)NCc1ccncc1

STK088974
Synonyms: 2- bromo- 4- tert- butyl- 6- [(E)- (3,5- dimethylphenyl)diazenyl]phenol
Smiles: Cc1cc(C)cc(c1)/N=N/c1cc(cc(c1O)Br)C(C)(C)C

STK088994
Synonyms: N- [(Z)- (1,3- benzoxazol- 2- ylamino)(propanoylamino)methylidene]propanamide
Smiles: CCC(=O)N/C(=N\C(=O)CC)/Nc1nc2c(o1)cccc2

STK089000
Synonyms: 4- amino- 2- (benzylsulfanyl)- 5- (phenylcarbonyl)thiophene- 3- carbonitrile
Smiles: N#Cc1c(SCc2ccccc2)sc(c1N)C(=O)c1ccccc1

STK089017
Synonyms: N- ethyl- N- (4- fluorobenzyl)ethanamine
Smiles: CCN(Cc1ccc(cc1)F)CC

STK089060
Synonyms: N- (4- fluorophenyl)- 2- [1- methyl- 3- (phenylsulfanyl)- 1H- indol- 2- yl]acetamide
Smiles: Fc1ccc(cc1)NC(=O)Cc1c(Sc2ccccc2)c2c(n1C)cccc2

STK089063
Synonyms: 1- (2,5- dimethoxybenzyl)- N- (2- hydroxypropyl)piperidine- 4- carboxamide
Smiles: COc1ccc(cc1CN1CCC(CC1)C(=O)NCC(O)C)OC

STK089070
Synonyms: 2- (benzylsulfanyl)- 6- phenyl- 5,6- dihydropyrimidin- 4(1H)- one
Smiles: O=C1N=C(SCc2ccccc2)NC(C1)c1ccccc1

STK089074
Synonyms: (6Z)- 6- {3- bromo- 5- ethoxy- 4- [2- (4- methylphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(cc1)C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK089075
Synonyms: N- (2- ethyl- 3- methylquinolin- 4- yl)- N~2~- [2- (4- hydroxyphenyl)ethyl]glycinamide
Smiles: CCc1nc2ccccc2c(c1C)NC(=O)CNCCc1ccc(cc1)O

STK089083
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- N'- [2- (3,4- dimethoxyphenyl)ethyl]butanediamide
Smiles: COc1cc(CCNC(=O)CCC(=O)NCc2ccc3c(c2)OCO3)ccc1OC

STK089098
Synonyms: methylN- (1- butyl- 3,4- dimethyl- 5- oxo- 2,5- dihydro- 1H- pyrrol- 2- yl)leucinate
Smiles: CCCCN1C(NC(C(=O)OC)CC(C)C)C(=C(C1=O)C)C

STK089114
Synonyms: N- [2- (dimethylamino)ethyl]pyridine- 4- carboxamide
Smiles: CN(CCNC(=O)c1ccncc1)C

STK089116
Synonyms: 3- (4- methoxybenzyl)- 5- [(E)- 2- phenylethenyl]- 1,2,4- oxadiazole
Smiles: COc1ccc(cc1)Cc1noc(n1)/C=C/c1ccccc1

STK089135
Synonyms: N- {4- [(5- ethyl- 1,3,4- thiadiazol- 2- yl)sulfamoyl]phenyl}thiophene- 2- carboxamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cccs1

STK089137
Synonyms: 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]- N- (propan- 2- yl)piperidine- 4- carboxamide
Smiles: CC(NC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)C

STK089148
Synonyms: 1H- benzimidazol- 1- yl(2,5- dichlorophenyl)methanone
Smiles: Clc1ccc(c(c1)C(=O)n1cnc2c1cccc2)Cl

STK089149
Synonyms: (1R,4R)- 1,5,5- trimethylbicyclo[2.2.1]hept- 2- yl4- hydroxybenzoate
Smiles: Oc1ccc(cc1)C(=O)OC1C[C@@H]2C[C@]1(C)CC2(C)C

STK089152
Synonyms: N- (5- tert- butyl- 1,3,4- thiadiazol- 2- yl)- 3- methyl- 4- nitrobenzamide
Smiles: O=C(c1ccc(c(c1)C)[N+](=O)[O-])Nc1nnc(s1)C(C)(C)C

STK089155
Synonyms: (3E)- 3- {2- [morpholin- 4- yl(oxo)acetyl]hydrazinylidene}- N- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)butanamide
Smiles: C/C(=N\NC(=O)C(=O)N1CCOCC1)/CC(=O)NC12CC3CC(C2)CC(C1)C3

STK089167
Synonyms: 2- [(1,1- dioxido- 1- benzothiophen- 3- yl)sulfanyl]- 1,3- benzothiazole
Smiles: O=S1(=O)C=C(c2c1cccc2)Sc1nc2c(s1)cccc2

STK089176
Synonyms: 2- (5- butylpyridin- 2- yl)- 5- methylphenol
Smiles: CCCCc1ccc(nc1)c1ccc(cc1O)C

STK089181
Synonyms: N- (4- chlorobenzyl)- 5- [(2- methoxy- 4- propylphenoxy)methyl]furan- 2- carboxamide
Smiles: CCCc1ccc(c(c1)OC)OCc1ccc(o1)C(=O)NCc1ccc(cc1)Cl

STK089199
Synonyms: 1- benzyl- N- [2- (dimethylamino)ethyl]- 1H- indole- 2- carboxamide
Smiles: CN(CCNC(=O)c1cc2c(n1Cc1ccccc1)cccc2)C

STK089218
Synonyms: 3- (biphenyl- 4- yl)- N'- {(E)- [4- (dimethylamino)phenyl]methylidene}- 1H- pyrazole- 5- carbohydrazide
Smiles: CN(c1ccc(cc1)/C=N/NC(=O)c1[nH]nc(c1)c1ccc(cc1)c1ccccc1)C

STK089231
Synonyms: 4- butoxy- N'- [(4- butylcyclohexyl)carbonyl]benzohydrazide
Smiles: CCCCOc1ccc(cc1)C(=O)NNC(=O)C1CCC(CC1)CCCC

STK089266
Synonyms: N- [3- (morpholin- 4- yl)- 4- nitrophenyl]ethane- 1,2- diamine
Smiles: NCCNc1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]

STK089268
Synonyms: 3,5- dimethoxy- N- [4- (quinolin- 8- yloxy)phenyl]benzamide
Smiles: COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1)Oc1cccc2c1nccc2

STK089276
Synonyms: 2- imino- N- (2- phenylethyl)- 2H- chromene- 3- carboxamide
Smiles: O=C(c1cc2ccccc2oc1=N)NCCc1ccccc1

STK089297
Synonyms: {4- [(4- bromophenyl)amino]- 1,1- dioxido- 2H- 1,2- benzothiazin- 3- yl}(phenyl)methanone
Smiles: Brc1ccc(cc1)NC1=C(NS(=O)(=O)c2c1cccc2)C(=O)c1ccccc1

STK089314
Synonyms: methyl(4Z)- 4- {amino[(phenylcarbonyl)amino]methylidene}- 3,5- dioxohexanoate
Smiles: COC(=O)CC(=O)/C(=C(\NC(=O)c1ccccc1)/N)/C(=O)C

STK089333
Synonyms: 2- (5- amino- 1- methyl- 1H- benzimidazol- 2- yl)phenol
Smiles: Nc1ccc2c(c1)nc(n2C)c1ccccc1O

STK089363
Synonyms: (2E)- 2- {3- chloro- 4- [3- (2,4- dimethylphenoxy)propoxy]- 5- ethoxybenzylidene}hydrazinecarboxamide
Smiles: CCOc1cc(/C=N/NC(=O)N)cc(c1OCCCOc1ccc(cc1C)C)Cl

STK089368
Synonyms: N- (7- methoxy- 4,5- dihydronaphtho[1,2- d][1,3]thiazol- 2- yl)- 3- nitrobenzamide
Smiles: COc1ccc2c(c1)CCc1c2nc(s1)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK089388
Synonyms: 4- {(E)- [(2- bromophenyl)imino]methyl}benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)/C=N/c1ccccc1Br

STK089488
Synonyms: N- [3- cyano- 1- (furan- 2- ylmethyl)- 4,5- diphenyl- 1H- pyrrol- 2- yl]- 4- methylbenzamide
Smiles: N#Cc1c(NC(=O)c2ccc(cc2)C)n(c(c1c1ccccc1)c1ccccc1)Cc1ccco1

STK089493
Synonyms: 1,2- dimethyl- N- (2- nitrobenzyl)- 1H- benzimidazol- 5- amine
Smiles: [O-][N+](=O)c1ccccc1CNc1ccc2c(c1)nc(n2C)C

STK089518
Synonyms: 1- (4- fluorophenyl)- 3- {4- [(4- methylpiperidin- 1- yl)carbonyl]piperidin- 1- yl}- 2- (2- oxopyridin- 1(2H)- yl)propane- 1,3- dione
Smiles: CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F

STK089525
Synonyms: 2- [(Z)- (1- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]- 3- (2- methylphenyl)quinazolin- 4(3H)- one
Smiles: O=C1N(C)c2c(/C/1=C/c1nc3ccccc3c(=O)n1c1ccccc1C)cccc2

STK089537
Synonyms: 2- hydroxy- 4- {[(E)- (2- hydroxynaphthalen- 1- yl)methylidene]amino}benzoicacid
Smiles: OC(=O)c1ccc(cc1O)/N=C/c1c(O)ccc2c1cccc2

STK089540
Synonyms: 1- (4- fluorobenzyl)- N- (1- hydroxy- 2- methylpropan- 2- yl)piperidine- 4- carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1)F)(C)C

STK089545
Synonyms: 1- benzyl- 2- methyl- 1H- indol- 5- ol
Smiles: Oc1ccc2c(c1)cc(n2Cc1ccccc1)C

STK089546
Synonyms: 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C(N1CCCC1)CN1C(=O)c2c(C1=O)cccc2

STK089547
Synonyms: 4- (4- bromophenyl)- 2- methylbut- 3- yn- 2- ylphenylcarbamate
Smiles: O=C(OC(C#Cc1ccc(cc1)Br)(C)C)Nc1ccccc1

STK089549
Synonyms: prop- 2- yn- 1- yl(6- chloro- 7- methyl- 5- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl)carbamodithioate
Smiles: C#CCSC(=S)Nc1nn2c(s1)nc(c(c2=O)Cl)C

STK089552
Synonyms: 2- [(4,6,8- trimethylquinazolin- 2- yl)amino]- 1H- imidazol- 5- ol
Smiles: Cc1cc(C)c2c(c1)c(C)nc(n2)Nc1ncc([nH]1)O

STK089562
Synonyms: 2- [3- (acetylamino)phenoxy]- N- (2- fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)COc1cccc(c1)NC(=O)C

STK089573
Synonyms: 4- {[(E)- (5- nitrofuran- 2- yl)methylidene]amino}benzamide
Smiles: [O-][N+](=O)c1ccc(o1)/C=N/c1ccc(cc1)C(=O)N

STK089578
Synonyms: 2- bromo- 6- [(E)- {[5- (butan- 2- yl)- 2- hydroxyphenyl]imino}methyl]- 4- chlorophenol
Smiles: CCC(c1ccc(c(c1)/N=C/c1cc(Cl)cc(c1O)Br)O)C

STK089585
Synonyms: 3- {[7- (furan- 2- ylmethyl)- 5,6- diphenyl- 7H- pyrrolo[2,3- d]pyrimidin- 4- yl]amino}propan- 1- ol
Smiles: OCCCNc1ncnc2c1c(c1ccccc1)c(n2Cc1ccco1)c1ccccc1

STK089591
Synonyms: N- (1- hydroxy- 2- methylpropan- 2- yl)- 1- (4- methylbenzyl)piperidine- 4- carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1)C)(C)C

STK089599
Synonyms: 3- benzyl- 6- methyl- 2- sulfanyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC1CCc2c(C1)c1c(s2)nc(n(c1=O)Cc1ccccc1)S

STK089618
Synonyms: 3a- bromo- 8a- phenyl- 3a,8a- dihydroindeno[2,1- c]pyrazol- 8(1H)- one
Smiles: O=C1c2ccccc2C2(C1(NN=C2)c1ccccc1)Br

STK089620
Synonyms: (5Z)- 2- amino- 5- (3- fluorobenzylidene)- 4,6- dimethyl- 5H- cyclopenta[b]pyridine- 3,7- dicarbonitrile
Smiles: N#CC1=C(C)/C(=C/c2cccc(c2)F)/c2c1nc(N)c(c2C)C#N

STK089623
Synonyms: (6Z)- 6- [4- (benzyloxy)- 3- iodo- 5- methoxybenzylidene]- 2- ethyl- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCc1sc2=NC(=O)/C(=C\c3cc(I)c(c(c3)OC)OCc3ccccc3)/C(=N)n2n1

STK089690
Synonyms: N'- [(E)- {3- methoxy- 4- [3- (4- methoxyphenoxy)propoxy]phenyl}methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)C)ccc1OCCCOc1ccc(cc1)OC

STK089696
Synonyms: 2- (4- chlorophenyl)- N- {[4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]carbamothioyl}acetamide
Smiles: S=C(NC(=O)Cc1ccc(cc1)Cl)Nc1scc(n1)c1cccc2c1cccc2

STK089703
Synonyms: N- {2- [(4- methylpiperazin- 1- yl)(oxo)acetyl]phenyl}acetamide
Smiles: CN1CCN(CC1)C(=O)C(=O)c1ccccc1NC(=O)C

STK089716
Synonyms: 2- cyano- N'- {(E)- [4- (3,5- diphenyl- 4,5- dihydro- 1H- pyrazol- 1- yl)phenyl]methylidene}acetohydrazide
Smiles: N#CCC(=O)N/N=C/c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1

STK089727
Synonyms: N- benzyl- N- (2- chlorobenzyl)- N',N'- dimethylethane- 1,2- diamine
Smiles: CN(CCN(Cc1ccccc1Cl)Cc1ccccc1)C

STK089756
Synonyms: 5- {[(E)- (3,5- dichloro- 2- hydroxyphenyl)methylidene]amino}- 2,3- dihydrophthalazine- 1,4- dione
Smiles: Clc1cc(/C=N/c2cccc3c2c(=O)[nH][nH]c3=O)c(c(c1)Cl)O

STK089803
Synonyms: (2E)- 3- (2- chloro- 4,5- dimethoxyphenyl)- N- (4- chloro- 3- nitrophenyl)- 2- cyanoprop- 2- enamide
Smiles: N#C/C(=C\c1cc(OC)c(cc1Cl)OC)/C(=O)Nc1ccc(c(c1)[N+](=O)[O-])Cl

STK089825
Synonyms: 5- {[(2- fluorophenyl)carbonyl]amino}- 2- iodobenzoicacid
Smiles: O=C(c1ccccc1F)Nc1ccc(c(c1)C(=O)O)I

STK089832
Synonyms: 6- amino- 4- (4- chloro- 1,3- benzodioxol- 5- yl)- 3- methyl- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc3c(c1Cl)OCO3)c(C)[nH]n2

STK089836
Synonyms: 2- (3- oxo- 1,2,3,4- tetrahydroquinoxalin- 2- yl)- N- [4- (pentyloxy)phenyl]acetamide
Smiles: CCCCCOc1ccc(cc1)NC(=O)CC1Nc2ccccc2NC1=O

STK089837
Synonyms: N- [(3Z)- 4- phenyl- 3H- 1,2- dithiol- 3- ylidene]aniline
Smiles: c1ccc(cc1)/N=c/1\sscc1c1ccccc1

STK089848
Synonyms: 2- (4- fluorophenyl)- 4- (3- propyl- 1,2,4- oxadiazol- 5- yl)quinoline
Smiles: CCCc1noc(n1)c1cc(nc2c1cccc2)c1ccc(cc1)F

STK089855
Synonyms: 4- bromo- N- (3,4- dichlorophenyl)- 3,5- dimethyl- 1H- pyrazole- 1- carboxamide
Smiles: Clc1ccc(cc1Cl)NC(=O)n1nc(c(c1C)Br)C

STK089860
Synonyms: (4Z)- 4- [2- (2- hydroxyphenyl)hydrazinylidene]- 5- (4- nitrophenyl)- 2- (4- phenyl- 1,3- thiazol- 2- yl)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: O=C1N(N=C(/C/1=N/Nc1ccccc1O)c1ccc(cc1)[N+](=O)[O-])c1scc(n1)c1ccccc1

STK089869
Synonyms: 3- phenyl- 1- {(E)- [(phenylcarbamoyl)amino][(4,6,7- trimethylquinazolin- 2- yl)amino]methylidene}urea(non- preferredname)
Smiles: O=C(N/C(=N/C(=O)Nc1ccccc1)/Nc1nc(C)c2c(n1)cc(c(c2)C)C)Nc1ccccc1

STK089874
Synonyms: 4- (dimethylamino)- N'- [(1Z)- 1- (naphthalen- 2- yl)ethylidene]benzohydrazide
Smiles: CN(c1ccc(cc1)C(=O)N/N=C(\c1ccc2c(c1)cccc2)/C)C

STK089877
Synonyms: [(3R)- 3,4- dibromo- 2,6- dimethyl- 3,4- dihydroquinolin- 1(2H)- yl](phenyl)methanone
Smiles: Br[C@H]1C(Br)c2cc(C)ccc2N(C1C)C(=O)c1ccccc1

STK089901
Synonyms: 5- (2- carboxyethyl)- 2,2- dimethyltetrahydro- 2H- pyran- 4- carboxylicacid
Smiles: OC(=O)C1CC(C)(C)OCC1CCC(=O)O

STK089934
Synonyms: N- {[4- (2- chloro- 4- nitrophenyl)piperazin- 1- yl]carbonothioyl}- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-]

STK089937
Synonyms: methyl3- [(3,4- dimethyl- 5- oxo- 1- propyl- 2,5- dihydro- 1H- pyrrol- 2- yl)amino]- 3- (2- ethylphenyl)propanoate
Smiles: CCCN1C(=O)C(=C(C1NC(c1ccccc1CC)CC(=O)OC)C)C

STK089938
Synonyms: 3- {[(E)- (5- bromo- 2- hydroxyphenyl)methylidene]amino}benzamide
Smiles: Brc1ccc(c(c1)/C=N/c1cccc(c1)C(=O)N)O

STK089940
Synonyms: N- (3a,8a- dihydroxy- 8- oxo- 3,3a,8,8a- tetrahydroindeno[1,2- d]imidazol- 2- yl)acetamide
Smiles: CC(=O)NC1=NC2(C(N1)(O)c1ccccc1C2=O)O

STK089943
Synonyms: N- (3- methoxypyrazin- 2- yl)- 4- {[(E)- phenylmethylidene]amino}benzenesulfonamide
Smiles: COc1nccnc1NS(=O)(=O)c1ccc(cc1)/N=C/c1ccccc1

STK089956
Synonyms: N,N'- (1,1',3,3'- tetraoxo- 1,1',3,3'- tetrahydro- 2H,2'H- 2,2'- biindene- 2,2'- diyl)diacetamide
Smiles: CC(=O)NC1(C(=O)c2c(C1=O)cccc2)C1(NC(=O)C)C(=O)c2c(C1=O)cccc2

STK089978
Synonyms: 5- (4- methoxyphenyl)- 5H- pyrano[2,3- d:6,5- d']dipyrimidine- 4,6- diol
Smiles: COc1ccc(cc1)C1c2c(O)ncnc2Oc2c1c(O)ncn2

STK089987
Synonyms: (2- chloro- 4- nitrophenyl)(2,3- dihydro- 1H- indol- 1- yl)methanone
Smiles: Clc1cc(ccc1C(=O)N1CCc2c1cccc2)[N+](=O)[O-]

STK090016
Synonyms: N~2~- {2- [2- (4- chlorophenyl)ethyl]- 3- oxo- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- yl}glycinamide
Smiles: NC(=O)CNC1N(CCc2ccc(cc2)Cl)C(=O)C2=C1CCCC2

STK090031
Synonyms: 2- (4- methoxyphenyl)- 1- (3- methyl- 1H- pyrazol- 1- yl)ethanone
Smiles: COc1ccc(cc1)CC(=O)n1ccc(n1)C

STK090035
Synonyms: 6- ethyl- 2- hydrazinyl- 3,6- dimethyl- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCC1(C)SCc2c(C1)c1c(s2)nc(n(c1=O)C)NN

STK090038
Synonyms: methyl3- methylbenzoate
Smiles: COC(=O)c1cccc(c1)C

STK090048
Synonyms: methyl(2Z)- {2- [(2E)- 2- (4- methylbenzylidene)hydrazinyl]- 4- oxo- 1,3- thiazolidin- 5- ylidene}ethanoate
Smiles: COC(=O)/C=C/1\SC(NC1=O)N/N=C/c1ccc(cc1)C

STK090056
Synonyms: 3- (7- benzyl- 4- imino- 5,6- diphenyl- 4,7- dihydro- 3H- pyrrolo[2,3- d]pyrimidin- 3- yl)propan- 1- ol
Smiles: OCCCn1cnc2c(c1=N)c(c1ccccc1)c(n2Cc1ccccc1)c1ccccc1

STK090078
Synonyms: (5E)- 5- {4- [3- (4- tert- butylphenoxy)propoxy]- 3- chloro- 5- ethoxybenzylidene}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(/C=C\2/SC(=S)NC2=O)cc(c1OCCCOc1ccc(cc1)C(C)(C)C)Cl

STK090105
Synonyms: 4- (5- dodecyl- 1,2,4- oxadiazol- 3- yl)pyridine
Smiles: CCCCCCCCCCCCc1onc(n1)c1ccncc1

STK090138
Synonyms: (2E)- 3- (3- {[(E)- (5- chloro- 2- hydroxyphenyl)methylidene]amino}phenyl)prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1cccc(c1)/N=C/c1cc(Cl)ccc1O

STK090173
Synonyms: 5- cyclohexyl- 3- (3,4,5- trimethoxyphenyl)- 1,2,4- oxadiazole
Smiles: COc1cc(cc(c1OC)OC)c1noc(n1)C1CCCCC1

STK090180
Synonyms: 2- {[1- (2,4- dimethoxyphenyl)- 2- methoxy- 2- oxoethyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: COC(=O)C(c1ccc(cc1OC)OC)NC(=O)C1CCCCC1C(=O)O

STK090228
Synonyms: (4- bromophenyl)[(4R)- 2- methyl- 4- (phenylamino)- 3,4- dihydroquinolin- 1(2H)- yl]methanone
Smiles: Brc1ccc(cc1)C(=O)N1C(C)C[C@H](c2c1cccc2)Nc1ccccc1

STK090284
Synonyms: 6,7- dimethyl- 4- (3,4,5- trimethoxyphenyl)- 3,4- dihydroquinolin- 2(1H)- one
Smiles: COc1cc(cc(c1OC)OC)C1CC(=O)Nc2c1cc(C)c(c2)C

STK090322
Synonyms: (5Z)- 2- (azepan- 1- yl)- 5- (3- bromobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Brc1cccc(c1)/C=C/1\SC(=NC1=O)N1CCCCCC1

STK090331
Synonyms: (4- {(1E)- 2- cyano- 3- [(2,5- dimethylphenyl)amino]- 3- oxoprop- 1- en- 1- yl}phenoxy)aceticacid
Smiles: N#C/C(=C\c1ccc(cc1)OCC(=O)O)/C(=O)Nc1cc(C)ccc1C

STK090342
Synonyms: 5- {[(5- bromopyridin- 3- yl)carbonyl]amino}- 2- chlorobenzoicacid
Smiles: Brc1cncc(c1)C(=O)Nc1ccc(c(c1)C(=O)O)Cl

STK090349
Synonyms: 3- (2,6- difluorophenyl)- 5- [(E)- 2- (4- methylphenyl)ethenyl]- 1,2,4- oxadiazole
Smiles: Cc1ccc(cc1)/C=C/c1onc(n1)c1c(F)cccc1F

STK090353
Synonyms: 2- [(5- methoxy- 1H- benzimidazol- 2- yl)sulfanyl]- 1- (3- methoxyphenyl)ethanone
Smiles: COc1cccc(c1)C(=O)CSc1nc2c([nH]1)ccc(c2)OC

STK090362
Synonyms: (2E)- 3- (3- {[(E)- (2- hydroxy- 5- nitrophenyl)methylidene]amino}phenyl)prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1cccc(c1)/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK090367
Synonyms: (6Z)- 6- {3- bromo- 5- methoxy- 4- [2- (3- methylphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCOc1cccc(c1)C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK090399
Synonyms: N,2- diphenyl- 1H- indole- 1- carboxamide
Smiles: O=C(n1c(cc2c1cccc2)c1ccccc1)Nc1ccccc1

STK090409
Synonyms: 1- (cyclohexylmethyl)- N- [3- (dimethylamino)- 2,2- dimethylpropyl]piperidine- 4- carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)CC1CCCCC1)(C)C)C

STK090425
Synonyms: (5E)- 5- (3- bromo- 4- hydroxybenzylidene)- 1- methylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CN1C(=O)NC(=O)/C(=C\c2ccc(c(c2)Br)O)/C1=O

STK090429
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- N'- (pyridin- 3- yl)butanediamide
Smiles: COc1cc(CCNC(=O)CCC(=O)Nc2cccnc2)ccc1OC

STK090434
Synonyms: N'- [(1E)- 1- (4- bromophenyl)ethylidene]- 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)acetohydrazide
Smiles: Brc1ccc(cc1)/C(=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)/C

STK090453
Synonyms: N- [(E)- 1H- indol- 3- ylmethylidene]- 4- (4- {[(E)- 1H- indol- 2- ylmethylidene]amino}benzyl)aniline
Smiles: c1ccc2c(c1)c(/C=N/c1ccc(cc1)Cc1ccc(cc1)/N=C/c1cc3c([nH]1)cccc3)c[nH]2

STK090476
Synonyms: N- [2- (ethylamino)ethyl]- 2- hydroxy- N- methyl- 2,2- diphenylacetamide
Smiles: CCNCCN(C(=O)C(c1ccccc1)(c1ccccc1)O)C

STK090478
Synonyms: 2- {[(4- chloro- 2- nitrophenyl)amino]methyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])NCN1C(=O)c2c(C1=O)cccc2

STK090482
Synonyms: 2- [(dimethylamino)methyl]pyridin- 3- yl2,2- dimethylpropanoate
Smiles: CN(Cc1ncccc1OC(=O)C(C)(C)C)C

STK090490
Synonyms: N- (4- chlorophenyl)- 10,11- dihydro- 5H- dibenzo[b,f]azepine- 5- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)N1c2ccccc2CCc2c1cccc2

STK090497
Synonyms: 2- amino- 2',5- dioxo- 1',2',4a,5,6,7,8,8a- octahydrospiro[chromene- 4,3'- indole]- 3- carbonitrile
Smiles: N#CC1=C(N)OC2C(C31C(=O)Nc1c3cccc1)C(=O)CCC2

STK090502
Synonyms: chloro[3- (formyloxy)- 3- (2- nitrophenyl)propyl]mercury
Smiles: Cl[Hg]CCC(c1ccccc1[N+](=O)[O-])OC=O

STK090522
Synonyms: methyl(2E)- 2- (3- ethoxy- 4- hydroxy- 5- iodobenzylidene)hydrazinecarboxylate
Smiles: CCOc1cc(/C=N/NC(=O)OC)cc(c1O)I

STK090550
Synonyms: 4- oxo- 4- {[3- (phenylcarbamoyl)- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl]amino}butanoicacid
Smiles: OC(=O)CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2

STK090555
Synonyms: 2- fluoro- N- (pyridin- 2- ylcarbamothioyl)benzamide
Smiles: S=C(NC(=O)c1ccccc1F)Nc1ccccn1

STK090556
Synonyms: 1- ({[4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]amino}methyl)naphthalen- 2- ol
Smiles: COc1cc(ccc1OC)c1csc(n1)NCc1c(O)ccc2c1cccc2

STK090591
Synonyms: 6- hydroxy- 3- [(3- hydroxy- 2- phenylpropanoyl)oxy]- 8- methyl- 8- (prop- 2- yn- 1- yl)- 8- azoniabicyclo[3.2.1]octane
Smiles: C#CC[N+]1(C)C2CC(CC1C(C2)O)OC(=O)C(c1ccccc1)CO

STK090596
Synonyms: 3,3- bis(4- fluorophenyl)- 2- [(4- methylpyrimidin- 2- yl)oxy]- 3- propoxypropanoicacid
Smiles: CCCOC(C(C(=O)O)Oc1nccc(n1)C)(c1ccc(cc1)F)c1ccc(cc1)F

STK090636
Synonyms: (4E)- 4- {[1- (4- chlorobenzyl)- 1H- indol- 3- yl]methylidene}- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Clc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C/1\C(=NN(C1=O)c1ccccc1)C

STK090651
Synonyms: 2- (1H- indol- 3- yl)- N- (1H- indol- 3- ylmethyl)ethanamine
Smiles: N(Cc1c[nH]c2c1cccc2)CCc1c[nH]c2c1cccc2

STK090663
Synonyms: (3- methyl- 2- phenyl- 1,3- oxazol- 3- ium- 5- yl)(trifluoroacetyl)azanide
Smiles: O=C(C(F)(F)F)[N-]c1c[n+](c(o1)c1ccccc1)C

STK090664
Synonyms: (6Z)- 6- {[5- (4- chloro- 3- nitrophenyl)furan- 2- yl]methylidene}- 5- imino- 2- (trifluoromethyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])Cl)C(F)(F)F

STK090686
Synonyms: (2E)- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 3- (6- nitro- 1,3- benzodioxol- 5- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)Br

STK090687
Synonyms: 2- [5- (ethylsulfanyl)- 1,3,4- thiadiazol- 2- yl]- 1,3- dioxo- 2,3- dihydro- 1H- isoindole- 5- carboxylicacid
Smiles: CCSc1nnc(s1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O

STK090691
Synonyms: (2E)- 1- (biphenyl- 4- yl)- 3- (2- hydroxy- 3- nitrophenyl)prop- 2- en- 1- one
Smiles: O=C(c1ccc(cc1)c1ccccc1)/C=C/c1cccc(c1O)[N+](=O)[O-]

STK090695
Synonyms: N- ethyl- N- [5- (pyridin- 4- yl)- 1,3,4- thiadiazol- 2- yl]acetamide
Smiles: CCN(c1nnc(s1)c1ccncc1)C(=O)C

STK090697
Synonyms: N- (2- amino- 2- oxoethyl)- N'- (pyridin- 3- yl)butanediamide
Smiles: O=C(Nc1cccnc1)CCC(=O)NCC(=O)N

STK090715
Synonyms: N- {3- [(2,3- dimethylphenyl)carbonyl]phenyl}- 4- fluorobenzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)c1cccc(c1C)C

STK090716
Synonyms: (6E)- 5- imino- 6- [(1- {2- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]ethyl}- 1H- indol- 3- yl)methylidene]- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: C=CCc1ccc(c(c1)OC)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK090747
Synonyms: 8- chloro- 10- phenyl[1,4]oxathiino[2,3- b]quinolin- 3(2H)- one
Smiles: O=C1CSc2c(O1)nc1c(c2c2ccccc2)cc(cc1)Cl

STK090753
Synonyms: N- (4- {[2- (thiophen- 2- ylacetyl)hydrazinyl]sulfonyl}phenyl)acetamide
Smiles: O=C(Cc1cccs1)NNS(=O)(=O)c1ccc(cc1)NC(=O)C

STK090756
Synonyms: 2- [(2,1,3- benzothiadiazol- 4- ylsulfonyl)amino]- 5- chlorobenzoicacid
Smiles: Clc1ccc(c(c1)C(=O)O)NS(=O)(=O)c1cccc2c1nsn2

STK090760
Synonyms: 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- N- (2- phenylethyl)propanamide
Smiles: O=C(C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])NCCc1ccccc1

STK090782
Synonyms: (4E)- 2- (1,3- benzothiazol- 2- yl)- 5- (4- methoxyphenyl)- 4- {[(pyridin- 2- ylmethyl)amino]methylidene}- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1ccc(cc1)C1=NN(C(=O)/C/1=C/NCc1ccccn1)c1nc2c(s1)cccc2

STK090783
Synonyms: 4- bromo- N- (2,6- dimethylquinolin- 5- yl)benzamide
Smiles: Brc1ccc(cc1)C(=O)Nc1c(C)ccc2c1ccc(n2)C

STK090786
Synonyms: 6- ethyl- 7- methyl- 2- (4H- 1,2,4- triazol- 3- ylsulfanyl)- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)Sc1nnc[nH]1

STK090809
Synonyms: [(4- bromonaphthalen- 1- yl)oxy]aceticacid
Smiles: OC(=O)COc1ccc(c2c1cccc2)Br

STK090811
Synonyms: 2- [(2Z)- 2- (4- bromobenzylidene)hydrazinyl]- 7- methyl- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: Brc1ccc(cc1)/C=N\Nc1nn2c(s1)nc(cc2=O)C

STK090817
Synonyms: {[6,6- dimethyl- 4- (piperidin- 1- yl)tetrahydro- 2H- pyran- 3- yl]methylidene}propanedinitrile
Smiles: N#CC(=CC1COC(CC1N1CCCCC1)(C)C)C#N

STK090821
Synonyms: 2- (5,6- dimethyl- 1,3- benzoxazol- 2- yl)- 4- {[(E)- (2- hydroxy- 3- nitrophenyl)methylidene]amino}phenol
Smiles: Oc1ccc(cc1c1oc2c(n1)cc(c(c2)C)C)/N=C/c1cccc(c1O)[N+](=O)[O-]

STK090835
Synonyms: 1- [(5R,7S)- 3- hydroxytricyclo[3.3.1.1~3,7~]dec- 1- yl]- N- (2,4,6- trimethylphenyl)prolinamide
Smiles: O=C(C1CCCN1C12C[C@@H]3C[C@H](C1)CC(C2)(C3)O)Nc1c(C)cc(cc1C)C

STK090838
Synonyms: N- [5- (2,2- dimethylpropyl)- 1,3,4- thiadiazol- 2- yl]- 4- phenoxybutanamide
Smiles: O=C(Nc1nnc(s1)CC(C)(C)C)CCCOc1ccccc1

STK090880
Synonyms: 5- bromo- N- methyl- N- phenylpyridine- 3- carboxamide
Smiles: Brc1cncc(c1)C(=O)N(c1ccccc1)C

STK090908
Synonyms: 3- (5- methoxy- 1H- indol- 3- yl)propanenitrile
Smiles: N#CCCc1c[nH]c2c1cc(OC)cc2

STK090934
Synonyms: 7- (4- fluorobenzyl)- 8- (furan- 2- ylmethoxy)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)Cn1c(OCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C

STK090958
Synonyms: N- [4- (4- methoxyphenyl)- 5- methyl- 1,3- thiazol- 2- yl]- N- (prop- 2- en- 1- yl)benzamide
Smiles: C=CCN(C(=O)c1ccccc1)c1sc(c(n1)c1ccc(cc1)OC)C

STK090977
Synonyms: methyl4- {2- [(2- iodophenyl)carbonyl]hydrazinyl}- 4- oxobutanoate
Smiles: COC(=O)CCC(=O)NNC(=O)c1ccccc1I

STK091022
Synonyms: bis(1- tert- butyl- 1H- tetrazol- 5- yl)mercury
Smiles: CC(n1nnnc1[Hg]c1nnnn1C(C)(C)C)(C)C

STK091025
Synonyms: 4- {[4- (diethylamino)- 2- methylphenyl]amino}- 4- oxobutanoicacid
Smiles: CCN(c1ccc(c(c1)C)NC(=O)CCC(=O)O)CC

STK091031
Synonyms: (4Z)- 5- methyl- 4- {2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]hydrazinylidene}- 2- (4- phenyl- 1,3- thiazol- 2- yl)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1ccc(cc1)c1csc(n1)N/N=C\1/C(=NN(C1=O)c1scc(n1)c1ccccc1)C

STK091065
Synonyms: N- (3- acetylphenyl)- 2- (naphthalen- 1- yloxy)acetamide
Smiles: O=C(Nc1cccc(c1)C(=O)C)COc1cccc2c1cccc2

STK091097
Synonyms: N- (2,4,6- trimethylphenyl)- 1,3- benzodioxole- 5- carboxamide
Smiles: Cc1cc(C)c(c(c1)C)NC(=O)c1ccc2c(c1)OCO2

STK091101
Synonyms: 2- [5- (2- bromo- 4- nitrophenyl)furan- 2- yl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Brc1cc(ccc1c1ccc(o1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3)[N+](=O)[O-]

STK091124
Synonyms: N- methyl- N- (phosphonomethyl)glycine
Smiles: CN(CP(=O)(O)O)CC(=O)O

STK091149
Synonyms: (4Z)- 4- {2- [4- chloro- 2- (phenylcarbonyl)phenyl]hydrazinylidene}- 3- (4- nitrophenyl)- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: Clc1ccc(c(c1)C(=O)c1ccccc1)N/N=C\1/C(=NN(C1=O)C(=S)N)c1ccc(cc1)[N+](=O)[O-]

STK091157
Synonyms: methyl[(4- amino- 6- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetate
Smiles: COC(=O)CSc1nc(N)c2c(n1)sc1c2CC(CC1)C

STK091167
Synonyms: 5- ({[2- (4- methylphenoxy)ethyl]sulfanyl}methyl)- 1,3,4- thiadiazol- 2- amine
Smiles: Cc1ccc(cc1)OCCSCc1nnc(s1)N

STK091169
Synonyms: 1- [2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 3- oxo- 3- phenylpropanoyl]- N- [3- (dimethylamino)- 2,2- dimethylpropyl]piperidine- 4- carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1)(C)C)C

STK091177
Synonyms: 6- (2,4- dichlorophenyl)- 7- hydroxy- 1,3- dimethyl- 1H- pyrrolo[3,2- d]pyrimidine- 2,4(3H,5H)- dione
Smiles: Clc1ccc(c(c1)Cl)c1[nH]c2c(c1O)n(C)c(=O)n(c2=O)C

STK091196
Synonyms: (2Z)- N- [3- (dimethylamino)- 2,2- dimethylpropyl]- 3- (2- fluorophenyl)- 2- (2- oxopyridin- 1(2H)- yl)prop- 2- enamide
Smiles: CN(CC(CNC(=O)/C(=C/c1ccccc1F)/n1ccccc1=O)(C)C)C

STK091198
Synonyms: 8- [(2E)- 2- benzylidenehydrazinyl]- 3- methyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=c1[nH]c(=O)c2c(n1C)nc(n2CCc1ccccc1)N/N=C/c1ccccc1

STK091212
Synonyms: 2- (2- bromo- 4- nitrophenoxy)- N'- [(E)- (3,4,5- trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)COc2ccc(cc2Br)[N+](=O)[O-])cc(c1OC)OC

STK091235
Synonyms: (3E)- 4- bromo- 5- methyl- 3- [(4- nitrophenyl)imino]- 1,3- dihydro- 2H- indol- 2- one
Smiles: O=C1Nc2c(/C/1=N\c1ccc(cc1)[N+](=O)[O-])c(Br)c(cc2)C

STK091261
Synonyms: 6- methyl- 3- {[2- oxo- 2- (1,2,3,4- tetrahydroquinolin- 2- yl)ethyl]sulfanyl}- 1,2,4- triazin- 5(4H)- one
Smiles: O=C(C1CCc2c(N1)cccc2)CSc1nnc(c(=O)[nH]1)C

STK091284
Synonyms: 1- acetyl- N- (4- sulfamoylphenyl)- 2,3- dihydro- 1H- indole- 5- sulfonamide
Smiles: CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N

STK091286
Synonyms: 3,3,6,6- tetramethyl- 3,4,6,7,9,10- hexahydroacridine- 1,8(2H,5H)- dione
Smiles: O=C1CC(C)(C)CC2=C1CC1=C(N2)CC(CC1=O)(C)C

STK091342
Synonyms: methyl4- {(4Z)- 4- [4- (dimethylamino)benzylidene]- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl}benzoate
Smiles: COC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(cc2)N(C)C)/C1=O)C

STK091355
Synonyms: 5- oxo- 1,2- diphenylproline
Smiles: O=C1CCC(N1c1ccccc1)(C(=O)O)c1ccccc1

STK091358
Synonyms: ethyl4- {[(1- benzyl- 1H- indol- 2- yl)carbonyl]amino}piperidine- 1- carboxylate
Smiles: CCOC(=O)N1CCC(CC1)NC(=O)c1cc2c(n1Cc1ccccc1)cccc2

STK091370
Synonyms: 2- {[N- (4- iodophenyl)- N- (methylsulfonyl)glycyl]amino}benzamide
Smiles: O=C(CN(S(=O)(=O)C)c1ccc(cc1)I)Nc1ccccc1C(=O)N

STK091388
Synonyms: (2Z)- N- [4- (4- bromophenyl)- 5- ethyl- 1,3- thiazol- 2- yl]- 2- [(2,3- dimethylphenyl)imino]- 7- hydroxy- 2H- chromene- 3- carboxamide
Smiles: CCc1sc(nc1c1ccc(cc1)Br)NC(=O)c1cc2ccc(cc2o/c/1=N\c1cccc(c1C)C)O

STK091406
Synonyms: 1'- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 4- methylspiro[1,3- dioxane- 2,3'- indol]- 2'(1'H)- one
Smiles: CC1CCOC2(O1)c1ccccc1N(C2=O)CN1CCN(CC1)c1ccc(cc1)F

STK091432
Synonyms: 5- bromo- 3- (6,6- dimethyl- 4- oxotetrahydro- 2H- pyran- 3- yl)- 3- hydroxy- 1,3- dihydro- 2H- indol- 2- one
Smiles: Brc1ccc2c(c1)C(O)(C(=O)N2)C1COC(CC1=O)(C)C

STK091440
Synonyms: 4,5,7- trimethyl- N- phenylquinolin- 2- amine
Smiles: Cc1cc(C)c2c(c1)nc(cc2C)Nc1ccccc1

STK091452
Synonyms: 3- (4- methoxyphenyl)- 4- methyl- 1H- pyrazole- 5- carbohydrazide
Smiles: NNC(=O)c1[nH]nc(c1C)c1ccc(cc1)OC

STK091460
Synonyms: pyridin- 3- ylmethyl(3- chlorophenyl)carbamate
Smiles: O=C(Nc1cccc(c1)Cl)OCc1cccnc1

STK091497
Synonyms: 2- ({(2E)- 3- [(2,2,6,6- tetramethylpiperidin- 4- yl)amino]but- 2- enoyl}oxy)ethyl(2E)- 3- (2,2,6,6- tetramethylpiperidin- 4- yl)but- 2- enoate
Smiles: O=C(/C=C(/NC1CC(C)(C)NC(C1)(C)C)\C)OCCOC(=O)/C=C(/C1CC(C)(C)NC(C1)(C)C)\C

STK091509
Synonyms: N- [(E)- (6- nitro- 1H- indol- 3- yl)methylidene]aniline
Smiles: [O-][N+](=O)c1ccc2c(c1)[nH]cc2/C=N/c1ccccc1

STK091528
Synonyms: potassium4- [(1E)- 3,3- dimethyltriaz- 1- en- 1- yl]benzoate
Smiles: CN(/N=N/c1ccc(cc1)C(=O)[O-])C.[K+]

STK091541
Synonyms: N- [(3,5- dichloro- 4- hydroxyphenyl)carbamothioyl]- 2- (3,5- dimethylphenoxy)acetamide
Smiles: O=C(NC(=S)Nc1cc(Cl)c(c(c1)Cl)O)COc1cc(C)cc(c1)C

STK091559
Synonyms: 3- chloro- N- [(2- chloro- 4- nitrophenyl)carbamothioyl]- 4- ethoxybenzamide
Smiles: CCOc1ccc(cc1Cl)C(=O)NC(=S)Nc1ccc(cc1Cl)[N+](=O)[O-]

STK091565
Synonyms: 4- chloro- N- (2- methylpropyl)- 2- nitrobenzamide
Smiles: CC(CNC(=O)c1ccc(cc1[N+](=O)[O-])Cl)C

STK091571
Synonyms: 1- (2- ethoxyphenyl)- 4- (1- methylpiperidin- 4- yl)piperazine
Smiles: CCOc1ccccc1N1CCN(CC1)C1CCN(CC1)C

STK091581
Synonyms: N- [1- (4- chlorophenyl)- 2,5- dioxopyrrolidin- 3- yl]- N- [2- (3,4- dimethoxyphenyl)ethyl]- 3- fluorobenzamide
Smiles: COc1cc(CCN(C(=O)c2cccc(c2)F)C2CC(=O)N(C2=O)c2ccc(cc2)Cl)ccc1OC

STK091585
Synonyms: ethyl[(5- tert- butyl- 1,3,4- thiadiazol- 2- yl)amino](oxo)acetate
Smiles: CCOC(=O)C(=O)Nc1nnc(s1)C(C)(C)C

STK091604
Synonyms: (2E)- N- [3- (trifluoromethyl)phenyl]- 3- (3,4,5- trimethoxyphenyl)prop- 2- enamide
Smiles: COc1cc(/C=C/C(=O)Nc2cccc(c2)C(F)(F)F)cc(c1OC)OC

STK091615
Synonyms: 3- hydroxy- 2- (1- phenylethyl)- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- one
Smiles: O=C1C2=C(C(N1C(c1ccccc1)C)O)CCCC2

STK091643
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl4- ethoxybenzoate
Smiles: CCOc1ccc(cc1)C(=O)OC1CN2CCC1CC2

STK091649
Synonyms: 2- nitro- N- (2- nitrophenyl)benzenesulfonamide
Smiles: [O-][N+](=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]

STK091667
Synonyms: 2,2'- butane- 1,4- diylbis(5- chloro- 1,3- dimethyl- 1H- 3,1- benzimidazol- 3- ium)
Smiles: Clc1ccc2c(c1)[n+](C)c(n2C)CCCCc1n(C)c2c([n+]1C)cc(cc2)Cl

STK091668
Synonyms: 5- methyl- 3- [(tetrahydrofuran- 2- ylmethyl)sulfanyl]- 5H- [1,2,4]triazino[5,6- b]indole
Smiles: Cn1c2ccccc2c2c1nc(SCC1CCCO1)nn2

STK091679
Synonyms: 4- (2,4- dichlorophenyl)- N- (2- ethoxyphenyl)- 1,3- thiazol- 2- amine
Smiles: CCOc1ccccc1Nc1scc(n1)c1ccc(cc1Cl)Cl

STK091681
Synonyms: 3- bromo- 3- butylquinoline- 2,4(1H,3H)- dione
Smiles: CCCCC1(Br)C(=O)Nc2c(C1=O)cccc2

STK091684
Synonyms: (2Z)- 2- (pentylimino)- 2H- chromene- 3- carboxamide
Smiles: CCCCC/N=c/1\oc2ccccc2cc1C(=O)N

STK091708
Synonyms: N- [3- (4- methoxyphenyl)- 3- oxopropyl]histidine
Smiles: COc1ccc(cc1)C(=O)CCNC(C(=O)O)Cc1c[nH]cn1

STK091709
Synonyms: 4- methyl- 1'- (morpholin- 4- ylmethyl)spiro[1,3- dioxane- 2,3'- indol]- 2'(1'H)- one
Smiles: CC1CCOC2(O1)C(=O)N(c1c2cccc1)CN1CCOCC1

STK091712
Synonyms: 3- [(E)- {2- [2,6- di(pyrrolidin- 1- yl)pyrimidin- 4- yl]hydrazinylidene}methyl]phenol
Smiles: Oc1cccc(c1)/C=N/Nc1cc(nc(n1)N1CCCC1)N1CCCC1

STK091714
Synonyms: 3- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1cnc1c2c2CCCCc2s1

STK091720
Synonyms: 2- [5- (4- propylphenyl)- 1,2,4- oxadiazol- 3- yl]pyridine
Smiles: CCCc1ccc(cc1)c1onc(n1)c1ccccn1

STK091723
Synonyms: N- (4- {(2Z)- 2- [1- (4- nitrophenyl)- 5- oxo- 3- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene]hydrazinyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/N=C/1\C(=O)N(N=C1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK091735
Synonyms: 4- {5- [(4- bromophenyl)(morpholin- 4- yl)methyl]- 1H- tetrazol- 1- yl}phenylpropanoate
Smiles: CCC(=O)Oc1ccc(cc1)n1nnnc1C(c1ccc(cc1)Br)N1CCOCC1

STK091737
Synonyms: 6- chloro- N- (4,6- dimethylpyrimidin- 2- yl)- N'- (4- iodophenyl)- 1,3,5- triazine- 2,4- diamine
Smiles: Ic1ccc(cc1)Nc1nc(nc(n1)Cl)Nc1nc(C)cc(n1)C

STK091755
Synonyms: 4- chloro- N- {(E)- [4- (methylsulfanyl)phenyl]methylidene}aniline
Smiles: CSc1ccc(cc1)/C=N/c1ccc(cc1)Cl

STK091768
Synonyms: methyl1- {[4- (acetyloxy)phenyl]carbonyl}piperidine- 4- carboxylate
Smiles: COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)OC(=O)C

STK091770
Synonyms: N- (cyclopentylcarbamothioyl)- 4- ethoxy- 3- nitrobenzamide
Smiles: CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)NC1CCCC1

STK091821
Synonyms: N- {(Z)- {4- [(2- {[(E)- (5- nitrofuran- 2- yl)methylidene]amino}phenyl)amino]phenyl}[(phenylcarbonyl)amino]- lambda~4~- sulfanylidene}benzamide
Smiles: O=C(c1ccccc1)N/S(=N\C(=O)c1ccccc1)/c1ccc(cc1)Nc1ccccc1/N=C/c1ccc(o1)[N+](=O)[O-]

STK091860
Synonyms: methyl2- {[2- oxo- 3- (pyridin- 3- ylamino)propanoyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)C(=O)CNc1cccnc1

STK091861
Synonyms: 1H- benzotriazol- 1- yl(pyridin- 3- yl)methanone
Smiles: O=C(n1nnc2c1cccc2)c1cccnc1

STK091865
Synonyms: 4'- aminobiphenyl- 4- carbonitrile
Smiles: N#Cc1ccc(cc1)c1ccc(cc1)N

STK091870
Synonyms: 4- {[1- (3- fluorophenyl)- 3- methoxy- 3- oxopropyl]amino}- 4- oxobutanoicacid
Smiles: COC(=O)CC(c1cccc(c1)F)NC(=O)CCC(=O)O

STK091907
Synonyms: diethyl2,4- diacetyl- 3- {4- [(7- methyloctyl)oxy]phenyl}pentanedioate
Smiles: CCOC(=O)C(C(C(C(=O)OCC)C(=O)C)c1ccc(cc1)OCCCCCCC(C)C)C(=O)C

STK091932
Synonyms: 4- {2- [(3- chloro- 1- benzothiophen- 2- yl)carbonyl]hydrazinyl}- N- (2,4- dimethylphenyl)- 4- oxobutanamide
Smiles: O=C(NNC(=O)c1sc2c(c1Cl)cccc2)CCC(=O)Nc1ccc(cc1C)C

STK091935
Synonyms: N- [3- chloro- 4- (morpholin- 4- yl)phenyl]- 2- (2,4- dichlorophenoxy)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)N1CCOCC1)COc1ccc(cc1Cl)Cl

STK091941
Synonyms: 8- hydroxy- 7- [(7- hydroxy- 5- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidin- 6- yl)(4- methoxyphenyl)methyl]- 3,4- dihydro- 2H,6H- pyrimido[2,1- b][1,3]thiazin- 6- one
Smiles: COc1ccc(cc1)C(c1c(O)nc2n(c1=O)CCCS2)c1c(O)nc2n(c1=O)CCS2

STK091942
Synonyms:
Smiles: CSc1nc2sc3c(c2c2n1n(=S)[nH]n2)CC(OC3)(C)C

STK091946
Synonyms: 4- [(1,1,1,3,3,3- hexafluoropropan- 2- yl)oxy]- 4- oxobutanoicacid
Smiles: O=C(OC(C(F)(F)F)C(F)(F)F)CCC(=O)O

STK091960
Synonyms: 6- phenyl- 3- (pyridin- 3- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)C1=Nn2c(SC1)nnc2c1cccnc1

STK092021
Synonyms: ethyl(8Z)- 3- amino- 8- (hydroxyimino)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[3,4- b]pyrazine- 2- carboxylate4- oxide
Smiles: CCOC(=O)c1nc2c([n+](c1N)[O-])COC(/C/2=N\O)(C)C

STK092029
Synonyms: 4- [(3,5- dimethylpiperidin- 1- yl)carbonyl]phenylacetate
Smiles: CC1CC(C)CN(C1)C(=O)c1ccc(cc1)OC(=O)C

STK092054
Synonyms: 4- [N- (4H- 1,2,4- triazol- 4- yl)propanimidoyl]phenol
Smiles: CC/C(=N/n1cnnc1)/c1ccc(cc1)O

STK092059
Synonyms: 2'- fluorobiphenyl- 4- carboxylicacid
Smiles: Fc1ccccc1c1ccc(cc1)C(=O)O

STK092061
Synonyms: (6Z)- 6- [3- bromo- 5- methoxy- 4- (naphthalen- 1- ylmethoxy)benzylidene]- 2- ethyl- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCc1sc2=NC(=O)/C(=C\c3cc(Br)c(c(c3)OC)OCc3cccc4c3cccc4)/C(=N)n2n1

STK092095
Synonyms: 5- bromo- N- (2- hydroxy- 4,5- dimethylphenyl)naphthalene- 1- carboxamide
Smiles: O=C(c1cccc2c1cccc2Br)Nc1cc(C)c(cc1O)C

STK092127
Synonyms: (3,5- di- tert- butyl- 4- hydroxyphenyl)- N,N- dimethyl- N- (propoxymethyl)methanaminium
Smiles: CCCOC[N+](Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C

STK092145
Synonyms: 4- hydroxyphenyloctanoate
Smiles: CCCCCCCC(=O)Oc1ccc(cc1)O

STK092146
Synonyms: 2- {[2- methoxy- 5- (phenylsulfonyl)phenyl]amino}naphthalene- 1,4- dione
Smiles: COc1ccc(cc1NC1=CC(=O)c2c(C1=O)cccc2)S(=O)(=O)c1ccccc1

STK092160
Synonyms: 1- (9H- fluoren- 9- ylmethoxy)- 1- oxopropan- 2- aminium4- methylbenzenesulfonate
Smiles: O=C(C([NH3+])C)OCC1c2ccccc2c2c1cccc2.Cc1ccc(cc1)S(=O)(=O)[O-]

STK092161
Synonyms: 1,3- dimethyl- 5- ({[4- (6- methyl- 1,3- benzothiazol- 2- yl)phenyl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NC=C1C(=O)N(C)C(=O)N(C1=O)C

STK092162
Synonyms: 1,2,4- trimethyl- 1H- imidazo[4,5- b]quinoxalin- 4- ium
Smiles: C[n+]1c2ccccc2nc2c1nc(n2C)C

STK092165
Synonyms: 6- methoxy- 4- methylquinazoline- 2- thiol
Smiles: COc1ccc2c(c1)c(C)nc(n2)S

STK092167
Synonyms: N- ethyl- N- (2- methylprop- 2- en- 1- yl)- 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]piperidine- 4- carboxamide
Smiles: CCN(C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)CC(=C)C

STK092176
Synonyms: [2- (6- chloro- 2- oxo- 2H- chromen- 3- yl)- 4- (2,4- dimethylphenyl)- 1,3- thiazol- 5- yl]aceticacid
Smiles: OC(=O)Cc1sc(nc1c1ccc(cc1C)C)c1cc2cc(Cl)ccc2oc1=O

STK092197
Synonyms: 2- chloro- N- (3,4- difluorophenyl)benzamide
Smiles: O=C(c1ccccc1Cl)Nc1ccc(c(c1)F)F

STK092225
Synonyms: ethyl2- {[(3- methylphenyl)carbonyl]amino}benzoate
Smiles: CCOC(=O)c1ccccc1NC(=O)c1cccc(c1)C

STK092233
Synonyms: 2- (5- fluoro- 2- methyl- 1H- indol- 3- yl)- N'- {(Z)- [3- (trifluoromethyl)phenyl][4- (trifluoromethyl)phenyl]methylidene}acetohydrazide
Smiles: O=C(Cc1c(C)[nH]c2c1cc(F)cc2)N/N=C(\c1cccc(c1)C(F)(F)F)/c1ccc(cc1)C(F)(F)F

STK092236
Synonyms: 1- (4- {[(E)- (2- chloro- 5- nitrophenyl)methylidene]amino}phenyl)ethanone
Smiles: Clc1ccc(cc1/C=N/c1ccc(cc1)C(=O)C)[N+](=O)[O-]

STK092240
Synonyms: 3- (propan- 2- ylideneamino)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CC(=NN1C(=S)SCC1=O)C

STK092241
Synonyms: 2,4,5- trichloro- 6- {(2E)- 2- [1- (pyridin- 2- yl)ethylidene]hydrazinyl}pyridine- 3- carbonitrile
Smiles: N#Cc1c(Cl)nc(c(c1Cl)Cl)N/N=C(/c1ccccn1)\C

STK092245
Synonyms: 2- (acridin- 9- ylamino)- 5- tert- butoxy- 5- oxopentanoicacid(non- preferredname)
Smiles: O=C(OC(C)(C)C)CCC(C(=O)O)Nc1c2ccccc2nc2c1cccc2

STK092263
Synonyms: N- [3- ({[(4- methylphenoxy)acetyl]carbamothioyl}amino)phenyl]furan- 2- carboxamide
Smiles: O=C(NC(=S)Nc1cccc(c1)NC(=O)c1ccco1)COc1ccc(cc1)C

STK092299
Synonyms: (1S,2R,3aR)- 2- (2- fluoro- 5- methoxyphenyl)- 1- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 1,2- dihydropyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: COc1ccc(c(c1)[C@@H]1[C@H](N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3)F

STK092300
Synonyms: 3- tert- butyl- 1- (2- carboxyphenyl)- 1H- tetrazol- 3- ium
Smiles: OC(=O)c1ccccc1n1cn[n+](n1)C(C)(C)C

STK092316
Synonyms: N- (cyanomethyl)- 4- phenoxybutanamide
Smiles: N#CCNC(=O)CCCOc1ccccc1

STK092317
Synonyms: (2E)- 2- [3- (1,3- benzodioxol- 5- yl)- 2- methylpropylidene]hydrazinecarboxamide
Smiles: NC(=O)N/N=C/C(Cc1ccc2c(c1)OCO2)C

STK092338
Synonyms: N'- [(E)- (3- bromo- 2- hydroxy- 5- nitrophenyl)methylidene]- 2- (4- bromonaphthalen- 1- yl)acetohydrazide
Smiles: O=C(Cc1ccc(c2c1cccc2)Br)N/N=C/c1cc(cc(c1O)Br)[N+](=O)[O-]

STK092352
Synonyms: 5- (3- methylphenyl)- 3- [3- (trifluoromethyl)phenyl]- 1,2,4- oxadiazole
Smiles: Cc1cccc(c1)c1onc(n1)c1cccc(c1)C(F)(F)F

STK092376
Synonyms: 2- {[(E)- (2,3- dichlorophenyl)methylidene]amino}benzonitrile
Smiles: N#Cc1ccccc1/N=C/c1cccc(c1Cl)Cl

STK092385
Synonyms: 4- fluoro- N'- [1- (4- fluorobenzyl)- 3,4- dimethyl- 5- oxo- 2,5- dihydro- 1H- pyrrol- 2- yl]benzohydrazide
Smiles: Fc1ccc(cc1)CN1C(NNC(=O)c2ccc(cc2)F)C(=C(C1=O)C)C

STK092400
Synonyms: ethyl[(5E)- 5- (4- hydroxy- 3,5- dimethoxybenzylidene)- 2,4- dioxo- 1,3- thiazolidin- 3- yl]acetate
Smiles: CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(c(c2)OC)O)/C1=O

STK092424
Synonyms: 2- nitrophenyl4- butoxybenzoate
Smiles: CCCCOc1ccc(cc1)C(=O)Oc1ccccc1[N+](=O)[O-]

STK092467
Synonyms: N- ethyl- N- (4- fluorobenzyl)- 2- methylprop- 2- en- 1- amine
Smiles: CCN(Cc1ccc(cc1)F)CC(=C)C

STK092496
Synonyms: 4- [(2- bromophenyl)carbonyl]- 3- (4- methoxyphenyl)- 3,4- dihydro- 1H- isochromen- 1- one
Smiles: COc1ccc(cc1)C1OC(=O)c2c(C1C(=O)c1ccccc1Br)cccc2

STK092537
Synonyms: 1- (cyclohexylmethyl)- N- (3- ethoxypropyl)piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)CC1CCCCC1

STK092560
Synonyms: (4E)- 4- [2- (4- methylphenyl)hydrazinylidene]- 2- (4- nitrophenyl)- 5- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1ccc(cc1)N/N=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK092570
Synonyms: 1- (4- ethoxybenzyl)- 2- hydroxypyrimidine- 4,6(1H,5H)- dione
Smiles: CCOc1ccc(cc1)CN1C(=O)CC(=O)N=C1O

STK092587
Synonyms: (5E)- 5- {4- [3- (4- tert- butylphenoxy)propoxy]- 3- chloro- 5- methoxybenzylidene}- 3- phenyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cc(/C=C\2/SC(=S)N(C2=O)c2ccccc2)cc(c1OCCCOc1ccc(cc1)C(C)(C)C)Cl

STK092588
Synonyms: 2- {[5- (acetylamino)- 4,6- dioxo- 1,4,5,6- tetrahydropyrimidin- 2- yl]sulfanyl}- N- (pyridin- 2- yl)acetamide
Smiles: CC(=O)NC1C(=O)NC(=NC1=O)SCC(=O)Nc1ccccn1

STK092616
Synonyms: 6- amino- 1- benzyl- 4- (4- methoxyphenyl)- 3- methyl- 4,7- dihydro- 1H- indazole- 5- carbonitrile
Smiles: N#CC1=C(N)Cc2c(C1c1ccc(cc1)OC)c(C)nn2Cc1ccccc1

STK092621
Synonyms: N- (4- methoxybenzyl)- 5- phenylfuran- 2- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1ccc(o1)c1ccccc1

STK092656
Synonyms: (2E)- N- [5- ({2- [(3- chloro- 2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,3,4- thiadiazol- 2- yl]- 3- phenylprop- 2- enamide
Smiles: O=C(Nc1nnc(s1)SCC(=O)Nc1cccc(c1C)Cl)/C=C/c1ccccc1

STK092672
Synonyms: 7- benzyl- 8- (2,5- dimethylphenoxy)- 1,3- dimethyl- 3,4,5,7- tetrahydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(c(c1)OC1=NC2C(N1Cc1ccccc1)C(=O)N(C(=O)N2C)C)C

STK092676
Synonyms: 5- chloro- 2- {[(4- chloro- 3- nitrophenyl)sulfonyl]amino}- N- (2,5- dichlorophenyl)benzamide
Smiles: Clc1ccc(c(c1)C(=O)Nc1cc(Cl)ccc1Cl)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl

STK092684
Synonyms: 7- (2- chloro- 6- fluorobenzyl)- 1,3- dimethyl- 8- [(2- methylpropyl)amino]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(CNc1nc2c(n1Cc1c(F)cccc1Cl)c(=O)n(c(=O)n2C)C)C

STK092697
Synonyms: 1,1'- [2,5- dimethyl- 1- (tetrahydrofuran- 2- ylmethyl)- 1H- pyrrole- 3,4- diyl]diethanone
Smiles: CC(=O)c1c(C)n(c(c1C(=O)C)C)CC1CCCO1

STK092708
Synonyms: 1- (4- methoxybenzyl)- N- [(1R)- 1- phenylethyl]piperidine- 4- carboxamide
Smiles: COc1ccc(cc1)CN1CCC(CC1)C(=O)N[C@@H](c1ccccc1)C

STK092709
Synonyms: 2- (4- butoxyphenyl)- 5- (2- methylphenyl)- 1,3,4- oxadiazole
Smiles: CCCCOc1ccc(cc1)c1nnc(o1)c1ccccc1C

STK092732
Synonyms: N- [3- cyano- 1- (furan- 2- ylmethyl)- 4,5- diphenyl- 1H- pyrrol- 2- yl]- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1c(C#N)c(c(n1Cc1ccco1)c1ccccc1)c1ccccc1

STK092742
Synonyms: 2- {[5- (acetylamino)- 4,6- dioxo- 1,4,5,6- tetrahydropyrimidin- 2- yl]sulfanyl}- N- (pyrimidin- 2- yl)acetamide
Smiles: CC(=O)NC1C(=O)NC(=NC1=O)SCC(=O)Nc1ncccn1

STK092747
Synonyms: (2Z)- 2- (3,4- dimethoxyphenyl)- 3- {4- [2- (4- methylphenoxy)ethoxy]phenyl}prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)OCCOc1ccc(cc1)C)/c1ccc(c(c1)OC)OC

STK092752
Synonyms: ethyl3- [(2E)- 5- methoxy- 2- [(2Z)- 2- (4- oxo- 3- phenyl- 2- thioxo- 1,3- thiazolidin- 5- ylidene)ethylidene]- 1,3- benzothiazol- 3(2H)- yl]propanoate
Smiles: CCOC(=O)CCn1/c(=C\C=C\2/SC(=S)N(C2=O)c2ccccc2)/sc2c1cc(OC)cc2

STK092756
Synonyms: (5- bromo- 2- methoxyphenyl)[4- (4- nitrophenyl)piperazin- 1- yl]methanone
Smiles: COc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])Br

STK092783
Synonyms: 4- amino- 5- bromo- 1- ({2- [(2,5- dimethylbenzyl)oxy]ethoxy}methyl)pyrimidin- 2(1H)- one
Smiles: Cc1ccc(c(c1)COCCOCn1cc(Br)c(nc1=O)N)C

STK092790
Synonyms: N,N'- {sulfanediylbis[(2- phenyl- 1H- inden- 3- yl- 1- ylidene)nitrilobenzene- 4,1- diyl]}diacetamide
Smiles: CC(=O)Nc1ccc(cc1)/N=C\1/c2ccccc2C(=C1c1ccccc1)SC1=C(c2ccccc2)/C(=N\c2ccc(cc2)NC(=O)C)/c2c1cccc2

STK092793
Synonyms: [(3R)- 3,4- dihydroxy- 2,6- dimethyl- 3,4- dihydroquinolin- 1(2H)- yl](phenyl)methanone
Smiles: O[C@H]1C(O)c2cc(C)ccc2N(C1C)C(=O)c1ccccc1

STK092794
Synonyms: 2- [(2,2'- dichloro- 6- phenyl- 4,5'- bipyrimidin- 4'- yl)amino]- 5- nitrophenol
Smiles: Clc1ncc(c(n1)Nc1ccc(cc1O)[N+](=O)[O-])c1nc(Cl)nc(c1)c1ccccc1

STK092807
Synonyms: 1- (10H- indolo[3,2- b]quinolin- 10- yl)ethanone
Smiles: CC(=O)n1c2ccccc2c2c1cc1ccccc1n2

STK092824
Synonyms: 6- [(1,1,1,3,3,3- hexafluoropropan- 2- yl)oxy]- N- methyl- N'- [2- (trifluoromethyl)phenyl]- 1,3,5- triazine- 2,4- diamine
Smiles: CNc1nc(nc(n1)Nc1ccccc1C(F)(F)F)OC(C(F)(F)F)C(F)(F)F

STK092840
Synonyms: N- benzyl- 1- {1- [(2- chlorophenyl)(4- chlorophenyl)methyl]- 1H- tetrazol- 5- yl}cyclohexanamine
Smiles: Clc1ccc(cc1)C(n1nnnc1C1(CCCCC1)NCc1ccccc1)c1ccccc1Cl

STK092857
Synonyms: (5E)- 5- [(2Z)- 2- (1- methylnaphtho[1,2- d][1,3]oxazol- 2(1H)- ylidene)ethylidene]- 3- (prop- 2- en- 1- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCN1C(=S)S/C(=C/C=c/2\oc3c(n2C)c2ccccc2cc3)/C1=O

STK092861
Synonyms: N- (2- chlorobenzyl)- 1- (3- ethoxy- 4- hydroxybenzyl)piperidine- 4- carboxamide
Smiles: CCOc1cc(ccc1O)CN1CCC(CC1)C(=O)NCc1ccccc1Cl

STK092873
Synonyms: (2Z)- 2- cyano- 3- (1H- indol- 3- yl)prop- 2- enamide
Smiles: N#C/C(=C/c1c[nH]c2c1cccc2)/C(=O)N

STK092885
Synonyms: 5- ({1- [2- (2- chlorophenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C)C(=O)C(=Cc2c(C)n(c3c2cccc3)CCOc2ccccc2Cl)C(=O)N1C

STK092898
Synonyms: N- {3- chloro- 4- [(7- methyloctyl)oxy]benzyl}imidodicarbonimidicdiamide
Smiles: CC(CCCCCCOc1ccc(cc1Cl)CNC(=N)NC(=N)N)C

STK092918
Synonyms: N- [3- (dimethylamino)- 2,2- dimethylpropyl]- 1- (3- methylbutyl)piperidine- 4- carboxamide
Smiles: CC(CCN1CCC(CC1)C(=O)NCC(CN(C)C)(C)C)C

STK092927
Synonyms: 2- {[3- (4- methoxybenzyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)Cn1c(SCC(=O)N)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK092934
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- N'- (3- methoxybenzyl)pentanediamide
Smiles: COc1cccc(c1)CNC(=O)CCCC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK092969
Synonyms: methyl2- [(phenylcarbamothioyl)amino]- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1cccc2

STK092989
Synonyms: 4- methyl- 2,3,4,5,6,7- hexahydrodicyclopenta[b,e]pyridin- 8(1H)- imine
Smiles: N=c1c2CCCc2n(c2c1CCC2)C

STK093014
Synonyms: 4- carbamoylphenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)N

STK093017
Synonyms: N- (5- chloro- 2- methoxyphenyl)- 2- [(4- cyano- 1- methyl- 5,6,7,8- tetrahydroisoquinolin- 3- yl)sulfanyl]acetamide
Smiles: N#Cc1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc(c2c1CCCC2)C

STK093032
Synonyms: 10H- phenothiazin- 10- yl(2,2,4- trimethyl- 4- phenyl- 3,4- dihydroquinolin- 1(2H)- yl)methanone
Smiles: O=C(N1c2ccccc2C(CC1(C)C)(C)c1ccccc1)N1c2ccccc2Sc2c1cccc2

STK093050
Synonyms: 3- [4- (4- methoxyphenyl)- 2- (phenylamino)- 1,3- thiazol- 5- yl]propanoicacid
Smiles: COc1ccc(cc1)c1nc(sc1CCC(=O)O)Nc1ccccc1

STK093063
Synonyms: (4Z)- 4- [2- (3- hydroxyphenyl)hydrazinylidene]- 5- (4- nitrophenyl)- 2- (4- phenyl- 1,3- thiazol- 2- yl)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Oc1cccc(c1)N/N=C/1\C(=O)N(N=C1c1ccc(cc1)[N+](=O)[O-])c1scc(n1)c1ccccc1

STK093064
Synonyms: 1- (2- hydroxy- 3- methoxybenzyl)- N- (2- phenylethyl)piperidine- 4- carboxamide
Smiles: COc1cccc(c1O)CN1CCC(CC1)C(=O)NCCc1ccccc1

STK093066
Synonyms: N- (9- ethyl- 9H- carbazol- 3- yl)pyridine- 4- carboxamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)NC(=O)c1ccncc1

STK093083
Synonyms: 2- (3- amino- 2- imino- 2,3- dihydro- 1H- benzimidazol- 1- yl)ethanol
Smiles: OCCn1c(=N)n(c2c1cccc2)N

STK093089
Synonyms: 11- (1,3- benzodioxol- 5- yl)- 3,3- dimethyl- 7- (phenylcarbonyl)- 10- propanoyl- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 1- one
Smiles: CCC(=O)N1C(c2ccc3c(c2)OCO3)C2=C(Nc3c1ccc(c3)C(=O)c1ccccc1)CC(CC2=O)(C)C

STK093104
Synonyms: N'- [(E)- (3,4- dichlorophenyl)(phenyl)methylidene]- 1,3- diphenyl- 1H- pyrazole- 4- carbohydrazide
Smiles: O=C(c1cn(nc1c1ccccc1)c1ccccc1)N/N=C(/c1ccc(c(c1)Cl)Cl)\c1ccccc1

STK093108
Synonyms: [2- (3,4- dimethoxyphenyl)- 4- phenyl- 4H- chromen- 3- yl]- N,N- dimethylmethanaminium
Smiles: COc1ccc(cc1OC)C1=C(C[NH+](C)C)C(c2c(O1)cccc2)c1ccccc1

STK093126
Synonyms: 2- (5- iodofuran- 2- yl)- 1H- benzimidazole
Smiles: Ic1ccc(o1)c1nc2c([nH]1)cccc2

STK093163
Synonyms: 3- chloro- N- {4- [5- (3,4,5- trimethoxyphenyl)- 1,2,4- oxadiazol- 3- yl]phenyl}benzamide
Smiles: COc1cc(cc(c1OC)OC)c1onc(n1)c1ccc(cc1)NC(=O)c1cccc(c1)Cl

STK093171
Synonyms: 1- [1- hydroxy- 3- (4- methoxyphenyl)- 11- (pyridin- 3- yl)- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl]- 3- methylbutan- 1- one
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N(C2c2cccnc2)C(=O)CC(C)C)C1)O

STK093196
Synonyms: 2- (4- chlorophenoxy)- N- {[4- (4- nitrophenyl)piperazin- 1- yl]carbonothioyl}acetamide
Smiles: O=C(NC(=S)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])COc1ccc(cc1)Cl

STK093226
Synonyms: (2E)- N- {4- [(2,4- dimethylphenyl)sulfamoyl]phenyl}- 3- (4- methoxyphenyl)prop- 2- enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C)C

STK093260
Synonyms: 4- hydroxy- N- (3- hydroxypyridin- 2- yl)- 1- methyl- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: Oc1cccnc1NC(=O)c1c(O)c2ccccc2n(c1=O)C

STK093266
Synonyms: 4- methyl- N- [(2E)- 4- (4- methylphenyl)- 1,3- thiazol- 2(3H)- ylidene]anilinehydrobromide
Smiles: Cc1ccc(cc1)/N=c\1/scc([nH]1)c1ccc(cc1)C.Br

STK093269
Synonyms: N- (2- chlorophenyl)- 6- methyl- 2- {[(2- methylphenyl)carbonyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: CC1CCc2c(C1)sc(c2C(=O)Nc1ccccc1Cl)NC(=O)c1ccccc1C

STK093270
Synonyms: 4,6- dimethylcyclohex- 3- ene- 1,2- dicarboxylicacid
Smiles: CC1=CC(C(C(C1)C)C(=O)O)C(=O)O

STK093274
Synonyms: 5- methoxy- 2- (4- methylpiperazin- 1- yl)- 1H- benzimidazole
Smiles: COc1ccc2c(c1)nc([nH]2)N1CCN(CC1)C

STK093320
Synonyms: 4- [(Z)- (4- chlorobenzylidene)(oxido)- lambda~5~- azanyl]- N,N- dimethylaniline
Smiles: Clc1ccc(cc1)/C=[N+](/c1ccc(cc1)N(C)C)\[O-]

STK093325
Synonyms: (1E)- 1- [1- (4- benzylphenyl)ethylidene]- 2- (4- bromophenyl)hydrazine
Smiles: Brc1ccc(cc1)N/N=C(/c1ccc(cc1)Cc1ccccc1)\C

STK093384
Synonyms: N- (2- amino- 2- oxoethyl)- 1,3- diphenyl- 1H- pyrazole- 4- carboxamide
Smiles: NC(=O)CNC(=O)c1cn(nc1c1ccccc1)c1ccccc1

STK093388
Synonyms: ethyl{2- imino- 3- [2- (naphthalen- 2- yloxy)ethyl]- 2,3- dihydro- 1H- benzimidazol- 1- yl}acetate
Smiles: CCOC(=O)Cn1c(=N)n(c2c1cccc2)CCOc1ccc2c(c1)cccc2

STK093394
Synonyms: 3,3'- [sulfanediylbis(2- nitroethane- 1,1- diyl)]bis(1H- indole)
Smiles: [O-][N+](=O)CC(c1c[nH]c2c1cccc2)SC(c1c[nH]c2c1cccc2)C[N+](=O)[O-]

STK093398
Synonyms: N- benzyl- N- tert- butyl- 2,6- dimethoxybenzamide
Smiles: COc1cccc(c1C(=O)N(C(C)(C)C)Cc1ccccc1)OC

STK093402
Synonyms: 4- (4- methoxyphenyl)- 7,7- dimethyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5(4H)- one
Smiles: COc1ccc(cc1)n1c2nnnn2c2c(c1=O)c1CC(C)(C)OCc1s2

STK093404
Synonyms: 5- {[1- (1,3- benzodioxol- 5- yl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: S=C1NC(=O)C(=Cc2cc(n(c2C)c2ccc3c(c2)OCO3)C)C(=O)N1

STK093440
Synonyms: 4- ethylphenyl5- (4- chlorophenyl)furan- 2- carboxylate
Smiles: CCc1ccc(cc1)OC(=O)c1ccc(o1)c1ccc(cc1)Cl

STK093444
Synonyms: (2Z)- 3- amino- 4,4- difluoro- 1- phenylbut- 2- en- 1- one
Smiles: FC(/C(=C/C(=O)c1ccccc1)/N)F

STK093454
Synonyms: methyl4- ({[(2Z)- 2- [(4- fluorophenyl)imino]- 3- (4- methoxybenzyl)- 4- oxo- 1,3- thiazinan- 6- yl]carbonyl}amino)benzoate
Smiles: COc1ccc(cc1)CN1C(=O)CC(S/C/1=N\c1ccc(cc1)F)C(=O)Nc1ccc(cc1)C(=O)OC

STK093460
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [2- (phenylsulfanyl)ethoxy]benzylidene}- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCSc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK093468
Synonyms: 2,4- dibromo- 6- {(E)- [(2Z)- (6- ethoxy- 3- methyl- 1,3- benzothiazol- 2(3H)- ylidene)hydrazinylidene]methyl}phenol
Smiles: CCOc1ccc2c(c1)s/c(=N\N=C\c1cc(Br)cc(c1O)Br)/n2C

STK093470
Synonyms: 1- (phenylsulfonyl)- 1H- benzotriazole
Smiles: O=S(=O)(n1nnc2c1cccc2)c1ccccc1

STK093482
Synonyms: 5- chloro- N- {3- chloro- 4- [(1- chloronaphthalen- 2- yl)oxy]phenyl}- 2- hydroxybenzamide
Smiles: Clc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)Oc1ccc2c(c1Cl)cccc2)O

STK093483
Synonyms: (4- {[(E)- pyridin- 3- ylmethylidene]amino}phenyl)aceticacid
Smiles: OC(=O)Cc1ccc(cc1)/N=C/c1cccnc1

STK093485
Synonyms: 5,5- dimethyl- 3- {[2- (4- propanethioylpiperazin- 1- yl)ethyl]amino}cyclohex- 2- en- 1- one
Smiles: CCC(=S)N1CCN(CC1)CCNC1=CC(=O)CC(C1)(C)C

STK093514
Synonyms: 4- {ethyl[1- (4- methoxyphenyl)propan- 2- yl]amino}butylbenzoate
Smiles: CCN(C(Cc1ccc(cc1)OC)C)CCCCOC(=O)c1ccccc1

STK093539
Synonyms: methyl6- amino- 5- cyano- 2- methyl- 4- (2,3,4- trimethoxyphenyl)- 4H- pyran- 3- carboxylate
Smiles: COC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1OC)OC)OC)C#N)N

STK093544
Synonyms: 6,6,7- trimethyl- 2- (methylamino)- 3- phenyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CNc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(N(C3)C)(C)C

STK093556
Synonyms: 1- benzyl- 2- hydroxy- 3- phenylguanidine
Smiles: O/N=C(\Nc1ccccc1)/NCc1ccccc1

STK093582
Synonyms: 3- (1,3- benzodioxol- 5- yl)- 3- {[4- oxo- 4- (piperazin- 1- yl)butanoyl]amino}propanoicacid
Smiles: O=C(NC(c1ccc2c(c1)OCO2)CC(=O)O)CCC(=O)N1CCNCC1

STK093604
Synonyms: 1- [(N- acetylglycyl)(4- methoxyphenyl)amino]- N- (4- methylphenyl)cyclohexanecarboxamide
Smiles: COc1ccc(cc1)N(C1(CCCCC1)C(=O)Nc1ccc(cc1)C)C(=O)CNC(=O)C

STK093615
Synonyms: N- butyl- N'- {4- [(4,6- dimethoxypyrimidin- 2- yl)sulfamoyl]phenyl}butanediamide
Smiles: CCCCNC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(OC)cc(n1)OC

STK093620
Synonyms: 2- (dimethylamino)ethyl2,3- dihydro- 1,4- benzodioxine- 2- carboxylate
Smiles: CN(CCOC(=O)C1COc2c(O1)cccc2)C

STK093631
Synonyms: 8- [(furan- 2- ylmethyl)amino]- 1,3- dimethyl- 7- (naphthalen- 1- ylmethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(Cc1cccc3c1cccc3)c(n2)NCc1ccco1

STK093632
Synonyms: 4- [(diethylamino)acetyl]- 2,3,3a,4- tetrahydropyrrolo[2,1- b]quinazolin- 9(1H)- one
Smiles: CCN(CC(=O)N1C2CCCN2C(=O)c2c1cccc2)CC

STK093656
Synonyms: 2- (2- methylphenyl)- 4,5,6,7- tetraphenyl- 3a,4,7,7a- tetrahydro- 1H- 4,7- methanoisoindole- 1,3,8(2H)- trione
Smiles: Cc1ccccc1N1C(=O)C2C(C1=O)C1(C(=O)C2(c2ccccc2)C(=C1c1ccccc1)c1ccccc1)c1ccccc1

STK093666
Synonyms: {4- [(Z)- {3- [2- (4- chlorophenyl)- 2- oxoethyl]- 2,4- dioxo- 1,3- thiazolidin- 5- ylidene}methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccc(cc1)/C=C/1\SC(=O)N(C1=O)CC(=O)c1ccc(cc1)Cl

STK093715
Synonyms: 6- bromo- 3- {2- [(2E)- 2- (2- methoxybenzylidene)hydrazinyl]- 1,3- thiazol- 5- yl}- 2H- chromen- 2- one
Smiles: COc1ccccc1/C=N/Nc1ncc(s1)c1cc2cc(Br)ccc2oc1=O

STK093720
Synonyms: 3- (5- butyl- 1,2,4- oxadiazol- 3- yl)pyridine
Smiles: CCCCc1onc(n1)c1cccnc1

STK093723
Synonyms: (1E,1'E)- 1,1'- [benzene- 1,4- diyldi(E)methylylidene]bis[2- (2,4,6- trichlorophenyl)hydrazine]
Smiles: Clc1cc(Cl)cc(c1N/N=C/c1ccc(cc1)/C=N/Nc1c(Cl)cc(cc1Cl)Cl)Cl

STK093732
Synonyms: 9- [2- (2- nitrophenyl)hydrazinyl]acridine
Smiles: [O-][N+](=O)c1ccccc1NNc1c2ccccc2nc2c1cccc2

STK093738
Synonyms: 3- {2- [(2- chlorophenyl)amino]- 1,3- thiazol- 4- yl}- 3- methyl- 8- [(3- methylbutoxy)methyl]- 2,7- dioxaspiro[4.4]nonane- 1,6- dione
Smiles: CC(CCOCC1OC(=O)C2(C1)CC(OC2=O)(C)c1csc(n1)Nc1ccccc1Cl)C

STK093744
Synonyms: 4- {[(E)- (4- chloro- 3- nitrophenyl)methylidene]amino}- N- (3,5- dimethylphenyl)benzenesulfonamide
Smiles: Cc1cc(cc(c1)C)NS(=O)(=O)c1ccc(cc1)/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STK093758
Synonyms: 4- bromo- 3- chloro- N- [(E)- (2- methyl- 1H- indol- 3- yl)methylidene]aniline
Smiles: Brc1ccc(cc1Cl)/N=C/c1c(C)[nH]c2c1cccc2

STK093834
Synonyms: [5- hydroxy- 3- methyl- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](2- methylfuran- 3- yl)methanone
Smiles: CC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccoc1C

STK093850
Synonyms: (2E)- 2- (4- {2- [(4- chlorophenyl)sulfanyl]ethoxy}benzylidene)- N- (prop- 2- en- 1- yl)hydrazinecarbothioamide
Smiles: C=CCNC(=S)N/N=C/c1ccc(cc1)OCCSc1ccc(cc1)Cl

STK093859
Synonyms: 2- [(4- iodophenyl)amino]- 4,6- diphenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(Nc2ccc(cc2)I)nc(cc1c1ccccc1)c1ccccc1

STK093864
Synonyms: 4- {3- [4- (trifluoromethyl)phenyl]- 1,2,4- oxadiazol- 5- yl}phenol
Smiles: Oc1ccc(cc1)c1onc(n1)c1ccc(cc1)C(F)(F)F

STK093873
Synonyms: 3,5,6- trimethyl- 1H- benzimidazol- 3- ium
Smiles: Cc1cc2[nH]c[n+](c2cc1C)C

STK093910
Synonyms: 2- [(4- cyano- 1- methyl- 5,6,7,8- tetrahydroisoquinolin- 3- yl)sulfanyl]- N- (3,4- dichlorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(c(c2)Cl)Cl)nc(c2c1CCCC2)C

STK093912
Synonyms: 1- [4- ({(E)- [4- (propan- 2- yl)phenyl]methylidene}amino)phenyl]ethanone
Smiles: CC(c1ccc(cc1)/C=N/c1ccc(cc1)C(=O)C)C

STK093913
Synonyms: S- ethyl(3- chlorophenyl)carbamothioate
Smiles: CCSC(=O)Nc1cccc(c1)Cl

STK093958
Synonyms: N- (1- benzyl- 1H- benzimidazol- 5- yl)acetamide
Smiles: CC(=O)Nc1ccc2c(c1)ncn2Cc1ccccc1

STK093970
Synonyms: (4E)- 2- (1,3- benzothiazol- 2- yl)- 5- {[(4- chlorophenyl)sulfanyl]methyl}- 4- {1- [(4- hydroxyphenyl)amino]ethylidene}- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Oc1ccc(cc1)N/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/C

STK093993
Synonyms: N- benzyl- 4- methyl- N- phenylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(c1ccccc1)Cc1ccccc1

STK094011
Synonyms: N- [2- (morpholin- 4- yl)ethyl]- 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)NCCN1CCOCC1

STK094014
Synonyms: 3- methyl- N'- (trifluoroacetyl)benzohydrazide
Smiles: Cc1cccc(c1)C(=O)NNC(=O)C(F)(F)F

STK094023
Synonyms: 4- {[2- (3- hydroxypropyl)- 1,3- dioxo- 2,3- dihydro- 1H- isoindol- 5- yl]sulfonyl}benzoicacid
Smiles: OCCCN1C(=O)c2c(C1=O)cc(cc2)S(=O)(=O)c1ccc(cc1)C(=O)O

STK094029
Synonyms: 2,2,4,6,7- pentamethyl- N- (3- nitrophenyl)quinoline- 1(2H)- carboxamide
Smiles: CC1=CC(C)(C)N(c2c1cc(C)c(c2)C)C(=O)Nc1cccc(c1)[N+](=O)[O-]

STK094035
Synonyms: 2- [(4- methylphenyl)sulfonyl]- 3- (trifluoromethyl)- 2,3,3a,4,5,6,7,8- octahydrocyclohepta[c]pyrazol- 3- ol
Smiles: Cc1ccc(cc1)S(=O)(=O)N1N=C2C(C1(O)C(F)(F)F)CCCCC2

STK094070
Synonyms: (8R,8aS,9S,12R,13aR,13bR)- 8- (phenylcarbonyl)- 8,8a,9,10,13a,13b- hexahydro- 9,12- epoxyoxepino[4',5':3,4]pyrrolo[2,1- a]isoquinolin- 13(12H)- one
Smiles: O=C([C@@H]1N2C=Cc3c([C@H]2[C@H]2[C@@H]1[C@H]1CO[C@H](O1)C2=O)cccc3)c1ccccc1

STK094075
Synonyms: 1- amino- 3- [2- (trifluoromethyl)phenyl]- 3,5- dihydropyrido[1,2- a]benzimidazole- 2,4- dicarbonitrile
Smiles: N#CC1=C(N)n2c(=C(C1c1ccccc1C(F)(F)F)C#N)[nH]c1c2cccc1

STK094080
Synonyms: 4- [2- (butanoylamino)- 3,5- dicyano- 6- sulfanylpyridin- 4- yl]phenylbutanoate
Smiles: CCCC(=O)Nc1nc(S)c(c(c1C#N)c1ccc(cc1)OC(=O)CCC)C#N

STK094099
Synonyms: 1,1'- {benzene- 1,4- diylbis[(E)methylylidenenitrilobenzene- 4,1- diyl]}bis(2,4,6- triphenylpyridinium)diperchlorate
Smiles: c1ccc(cc1)c1cc(cc([n+]1c1ccc(cc1)/N=C/c1ccc(cc1)/C=N/c1ccc(cc1)[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O

STK094152
Synonyms: 4- {[4,6- bis(dimethylamino)- 1,3,5- triazin- 2- yl]oxy}benzamide
Smiles: CN(c1nc(Oc2ccc(cc2)C(=O)N)nc(n1)N(C)C)C

STK094162
Synonyms: 6- chloro- 2- imino- 2H- chromene- 3- carbothioamide
Smiles: NC(=S)c1cc2cc(Cl)ccc2oc1=N

STK094167
Synonyms: 4,8- diethoxy- 1,3- dimethyl- 6- (thiophen- 2- yl)- 6H- cyclohepta[c]furan- 6- ylium
Smiles: CCOC1=C[C+](C=C(c2c1c(C)oc2C)OCC)c1cccs1

STK094203
Synonyms: (2Z)- N- (4- fluorophenyl)- 4- oxo- 2- (phenylimino)- 3- (4- sulfamoylbenzyl)- 1,3- thiazinane- 6- carboxamide
Smiles: O=C(C1CC(=O)N(/C(=N/c2ccccc2)/S1)Cc1ccc(cc1)S(=O)(=O)N)Nc1ccc(cc1)F

STK094230
Synonyms: N- benzyl- 4- methylphthalazin- 1- amine
Smiles: Cc1nnc(c2c1cccc2)NCc1ccccc1

STK094231
Synonyms: N- (2- chlorobenzyl)- 2- (4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)acetamide
Smiles: O=C(Cc1c(=O)[nH]c2c(c1O)cccc2)NCc1ccccc1Cl

STK094274
Synonyms: [5,10,15,20- tetrakis(4- methoxyphenyl)porphyrinato(2- )- kappa~4~N~21~,N~22~,N~23~,N~24~]zinc
Smiles: COc1ccc(cc1)C1=c2ccc3n2[Zn]24n5c1ccc5C(=c1n2c(cc1)C(=c1n4c(=C3c2ccc(cc2)OC)cc1)c1ccc(cc1)OC)c1ccc(cc1)OC

STK094279
Synonyms: N- (6- bromo- 1,3- benzothiazol- 2- yl)- 4- hydroxy- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: Brc1ccc2c(c1)sc(n2)NC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK094288
Synonyms: 4- methyl- 2- phenoxyquinolin- 6- ol
Smiles: Oc1ccc2c(c1)c(C)cc(n2)Oc1ccccc1

STK094290
Synonyms: 4- chloro- 2- ethoxy- 6- [(E)- {[2- (pyrrolidin- 1- yl)phenyl]imino}methyl]phenol
Smiles: CCOc1cc(Cl)cc(c1O)/C=N/c1ccccc1N1CCCC1

STK094304
Synonyms: (4E)- 2- (1,3- benzothiazol- 2- yl)- 5- {[(4- chlorophenyl)sulfanyl]methyl}- 4- {[(3- hydroxypropyl)amino]methylidene}- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: OCCCN/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl

STK094317
Synonyms: 5- chloro- 2- [(6- chloro- 3- nitropyridin- 2- yl)amino]pyridin- 1(2H)- ol
Smiles: ClC1=CN(C(C=C1)Nc1nc(Cl)ccc1[N+](=O)[O-])O

STK094358
Synonyms: 4- [(2E)- 2- (5- oxo- 1,3- diphenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene)hydrazinyl]benzoicacid
Smiles: O=C1N(N=C(/C/1=N\Nc1ccc(cc1)C(=O)O)c1ccccc1)c1ccccc1

STK094359
Synonyms: ethyl4- {(Z)- [(2Z)- 4- oxo- 2- (phenylimino)- 3- propyl- 1,3- thiazolidin- 5- ylidene]methyl}benzoate
Smiles: CCCN1/C(=N/c2ccccc2)/S/C(=C\c2ccc(cc2)C(=O)OCC)/C1=O

STK094373
Synonyms: N- tert- butyl- 1,3- dioxo- 2- (pyridin- 2- yl)- 2,3- dihydro- 1H- isoindole- 5- carboxamide
Smiles: O=C1c2cc(ccc2C(=O)N1c1ccccn1)C(=O)NC(C)(C)C

STK094378
Synonyms: N- (naphthalen- 2- yl)- 4- nitrobenzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Nc1ccc2c(c1)cccc2

STK094382
Synonyms: N- {2- chloro- 5- [5- (propan- 2- yl)- 1,3- benzoxazol- 2- yl]phenyl}furan- 2- carboxamide
Smiles: Clc1ccc(cc1NC(=O)c1ccco1)c1nc2c(o1)ccc(c2)C(C)C

STK094393
Synonyms: 2,2,4- trimethyl- 6- [(4- nitrobenzyl)oxy]- 1,2- dihydroquinoline
Smiles: CC1=CC(C)(C)Nc2c1cc(OCc1ccc(cc1)[N+](=O)[O-])cc2

STK094400
Synonyms: N- (4- methoxyphenyl)- 6- nitro- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK094407
Synonyms: N- [(E)- amino(1,3- benzoxazol- 2- ylamino)methylidene]- 2- (2- nitrophenoxy)acetamide
Smiles: O=C(/N=C(/Nc1nc2c(o1)cccc2)\N)COc1ccccc1[N+](=O)[O-]

STK094424
Synonyms: N- {[2- (4- tert- butylphenyl)- 1,3- benzoxazol- 5- yl]carbamothioyl}- 3,4,5- triethoxybenzamide
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1ccc(cc1)C(C)(C)C

STK094437
Synonyms: (5Z)- 2- (4- benzylpiperidin- 1- yl)- 5- (4- fluorobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Fc1ccc(cc1)/C=C/1\SC(=NC1=O)N1CCC(CC1)Cc1ccccc1

STK094438
Synonyms: di- 10H- phenothiazin- 10- ylmethanone
Smiles: O=C(N1c2ccccc2Sc2c1cccc2)N1c2ccccc2Sc2c1cccc2

STK094439
Synonyms: N- [2- (diethylamino)ethyl]- N'- (2- phenylethyl)butanediamide
Smiles: CCN(CCNC(=O)CCC(=O)NCCc1ccccc1)CC

STK094444
Synonyms: [(3- chloro- 4- methylphenyl)amino](oxo)aceticacid
Smiles: OC(=O)C(=O)Nc1ccc(c(c1)Cl)C

STK094447
Synonyms: 2- bromo- N- (2,4,6- trimethylphenyl)propanamide
Smiles: O=C(C(Br)C)Nc1c(C)cc(cc1C)C

STK094465
Synonyms: N- (2,3- dihydro- 1H- cyclopenta[b]quinolin- 9- yl)- N~2~- [2- (4- hydroxyphenyl)ethyl]glycinamide
Smiles: O=C(Nc1c2CCCc2nc2c1cccc2)CNCCc1ccc(cc1)O

STK094475
Synonyms: 6- chloro- 3- [(4- hydroxy- 6- phenylpyrimidin- 2- yl)sulfanyl]- 4- phenylquinolin- 2(1H)- one
Smiles: Oc1nc(nc(c1)c1ccccc1)Sc1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK094482
Synonyms: N- (2,3- dihydro- 1H- cyclopenta[b]quinolin- 9- yl)- N~2~- [2- (1H- indol- 2- yl)ethyl]glycinamide
Smiles: O=C(Nc1c2CCCc2nc2c1cccc2)CNCCc1cc2c([nH]1)cccc2

STK094495
Synonyms: (1Z)- 1- (3,4- dimethoxyphenyl)- N- [(8,8,10,10- tetramethyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)methoxy]ethanimine
Smiles: COc1ccc(cc1OC)/C(=N\OCc1nc2n(n1)cnc1c2c2CC(C)(C)NC(c2s1)(C)C)/C

STK094506
Synonyms: N- [(2- hydroxy- 4,5- dimethylphenyl)carbamothioyl]- 4- methylbenzamide
Smiles: S=C(Nc1cc(C)c(cc1O)C)NC(=O)c1ccc(cc1)C

STK094507
Synonyms: (6Z)- 2- cyclohexyl- 6- (3- ethoxy- 4- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethoxy}benzylidene)- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: C=CCc1ccccc1OCCOc1ccc(cc1OCC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1

STK094516
Synonyms: N- [(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]pyridine- 3- carboxamide
Smiles: COc1cccc(c1O)/C=N/C(=O)c1cccnc1

STK094520
Synonyms: 1- [(3- methylpiperidin- 1- yl)methyl]pyrrolidine- 2,5- dione
Smiles: CC1CCCN(C1)CN1C(=O)CCC1=O

STK094525
Synonyms: 3- methylbutyl4- (4- oxo- 3,4- dihydrophthalazin- 1- yl)benzoate
Smiles: CC(CCOC(=O)c1ccc(cc1)c1n[nH]c(=O)c2c1cccc2)C

STK094554
Synonyms: (2Z)- 3- (2- methyl- 1- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethyl}- 1H- indol- 3- yl)- 2- (4- nitrophenyl)prop- 2- enenitrile
Smiles: C=CCc1ccccc1OCCn1c2ccccc2c(c1C)/C=C(/c1ccc(cc1)[N+](=O)[O-])\C#N

STK094555
Synonyms: 2- {4- amino- 6- [(3,4- dimethylphenyl)amino]- 1,3,5- triazin- 2- yl}cyclopentanone
Smiles: Nc1nc(Nc2ccc(c(c2)C)C)nc(n1)C1CCCC1=O

STK094563
Synonyms: 2- methyl- 4- oxo- 3- phenoxy- 4H- chromen- 7- ylN- [(benzyloxy)carbonyl]- beta- alaninate
Smiles: O=C(OCc1ccccc1)NCCC(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C

STK094568
Synonyms: diethyl1,5- dioxo- 1,2,3,5,6,7- hexahydro- s- indacene- 2,6- dicarboxylate
Smiles: CCOC(=O)C1Cc2c(C1=O)cc1c(c2)C(=O)C(C1)C(=O)OCC

STK094584
Synonyms: 2- (4- bromophenyl)- 1- methyl- 5,6- dihydrodipyrrolo[1,2- a:2',1'- c]pyrazine
Smiles: Brc1ccc(cc1)c1cn2c(c1C)c1cccn1CC2

STK094591
Synonyms: potassium2- (6- methyl- 2- {[(4- methylphenyl)sulfonyl]amino}pyrimidin- 4- yl)hydrazinecarbodithioate
Smiles: [S-]C(=S)NNc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)C.[K+]

STK094608
Synonyms: (4- {(E)- [(2- bromophenyl)imino]methyl}- 5- hydroxy- 6- methylpyridin- 3- yl)methyldihydrogenphosphate
Smiles: Cc1ncc(c(c1O)/C=N/c1ccccc1Br)COP(=O)(O)O

STK094610
Synonyms: 1- (3,4- dimethylphenyl)- 3- [5- (2- ethoxyethyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: CCOCCc1nnc(s1)NC(=O)Nc1ccc(c(c1)C)C

STK094638
Synonyms: 2,2- dimethyl- 5- phenyl- 3- (phenylsulfonyl)- 1,3- oxazolidine
Smiles: CC1(C)OC(CN1S(=O)(=O)c1ccccc1)c1ccccc1

STK094645
Synonyms: (6Z)- 5- imino- 6- {[1- (3- methylbenzyl)- 1H- indol- 3- yl]methylidene}- 2- (2- methylphenyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cccc(c1)Cn1cc(c2c1cccc2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccccc1C

STK094671
Synonyms: N- (2,4- dichlorophenyl)- 5- oxo- 1- [4- (propan- 2- yl)benzyl]pyrrolidine- 3- carboxamide
Smiles: O=C(C1CC(=O)N(C1)Cc1ccc(cc1)C(C)C)Nc1ccc(cc1Cl)Cl

STK094673
Synonyms: 1- amino- N- (4- chlorophenyl)- 5- phenyl- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)c1ccccc1

STK094684
Synonyms: N- (2- hydroxyphenyl)benzenesulfonamide
Smiles: Oc1ccccc1NS(=O)(=O)c1ccccc1

STK094699
Synonyms: 3- (2,6- difluorophenyl)- 5- (2,4- dimethoxyphenyl)- 1,2,4- oxadiazole
Smiles: COc1cc(OC)ccc1c1onc(n1)c1c(F)cccc1F

STK094700
Synonyms: 2- amino- 4- (3- bromophenyl)- 5- oxo- 5,6,7,8- tetrahydro- 4H- chromene- 3- carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1cccc(c1)Br)C(=O)CCC2

STK094708
Synonyms: N- [5- (4- chlorobenzyl)- 1,3,4- thiadiazol- 2- yl]- 2- methoxy- 4- (methylsulfanyl)benzamide
Smiles: COc1cc(SC)ccc1C(=O)Nc1nnc(s1)Cc1ccc(cc1)Cl

STK094710
Synonyms: 2- chloro- 5- iodo- N- [(6- methyl- 1,3- benzothiazol- 2- yl)carbamothioyl]benzamide
Smiles: S=C(NC(=O)c1cc(I)ccc1Cl)Nc1nc2c(s1)cc(cc2)C

STK094713
Synonyms: (2- bromo- 4- {(E)- [1- (3- chlorophenyl)- 2,5- dioxoimidazolidin- 4- ylidene]methyl}- 6- ethoxyphenoxy)aceticacid
Smiles: CCOc1cc(/C=C\2/NC(=O)N(C2=O)c2cccc(c2)Cl)cc(c1OCC(=O)O)Br

STK094718
Synonyms: N- (2- {[(3,6- dichloropyridin- 2- yl)carbonyl]oxy}ethyl)- N,N- dimethyl- 2- (octyloxy)- 2- oxoethanaminium
Smiles: CCCCCCCCOC(=O)C[N+](CCOC(=O)c1nc(Cl)ccc1Cl)(C)C

STK094720
Synonyms: 1- (cyclohexylmethyl)- N- (2- phenylethyl)piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)CC1CCCCC1)NCCc1ccccc1

STK094724
Synonyms: 2,2,2- trifluoroethyl5- oxo- 5- {[5- (tricyclo[3.3.1.1~3,7~]dec- 2- yl)- 1,3- thiazol- 2- yl]amino}pentanoate
Smiles: O=C(Nc1ncc(s1)C1C2CC3CC1CC(C2)C3)CCCC(=O)OCC(F)(F)F

STK094728
Synonyms: 3,7- dibromo- 10H- phenothiazine
Smiles: Brc1ccc2c(c1)Sc1c(N2)ccc(c1)Br

STK094738
Synonyms: N- [3- (dimethylamino)- 2,2- dimethylpropyl]- 1- (4- ethylbenzyl)piperidine- 4- carboxamide
Smiles: CCc1ccc(cc1)CN1CCC(CC1)C(=O)NCC(CN(C)C)(C)C

STK094753
Synonyms: (2E)- 1- (4- methylphenyl)- 3- [(6- methylpyridin- 2- yl)amino]prop- 2- en- 1- one
Smiles: Cc1ccc(cc1)C(=O)/C=C/Nc1cccc(n1)C

STK094766
Synonyms: methyl[(prop- 2- en- 1- ylamino)methyl]phosphinicacid
Smiles: C=CCNCP(=O)(O)C

STK094769
Synonyms: 2- cyano- N- (4- ethoxyphenyl)- 3- (pyridin- 3- yl)propanamide
Smiles: CCOc1ccc(cc1)NC(=O)C(Cc1cccnc1)C#N

STK094805
Synonyms: 4- hydroxy- 2- phenylcyclopentanecarboxylicacid
Smiles: OC1CC(C(C1)c1ccccc1)C(=O)O

STK094806
Synonyms: 2,4,5- trichloro- 6- [(2,2,6,6- tetramethylpiperidin- 4- yl)amino]pyridine- 3- carbonitrile
Smiles: N#Cc1c(Cl)nc(c(c1Cl)Cl)NC1CC(C)(C)NC(C1)(C)C

STK094815
Synonyms: 2- [(6- ethyl- 4- methylquinazolin- 2- yl)amino]- 1- methylquinazolin- 4(1H)- one
Smiles: CCc1ccc2c(c1)c(C)nc(n2)Nc1nc(=O)c2c(n1C)cccc2

STK094816
Synonyms: 2- (diethylamino)ethyl2,3- dihydro- 1,4- benzodioxine- 2- carboxylate
Smiles: CCN(CCOC(=O)C1COc2c(O1)cccc2)CC

STK094868
Synonyms: 2,6,7- trihydroxy- 9- propyl- 3H- xanthen- 3- one
Smiles: CCCc1c2cc(O)c(=O)cc2oc2c1cc(O)c(c2)O

STK094879
Synonyms: 4- {2- [6- methyl- 1- (4- methylphenyl)- 4- oxo- 5- phenyl- 1,4- dihydropyrimidin- 2- yl]ethyl}morpholin- 4- ium
Smiles: Cc1ccc(cc1)n1c(CC[NH+]2CCOCC2)nc(=O)c(c1C)c1ccccc1

STK094918
Synonyms: 2- (1,3- benzodioxol- 5- ylmethyl)- 3- hydroxy- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- one
Smiles: O=C1C2=C(C(N1Cc1ccc3c(c1)OCO3)O)CCCC2

STK094920
Synonyms: 2- (4- methoxy- 3- nitrophenyl)- 1,2- dihydro- 4H- 3,1- benzoxazin- 4- one
Smiles: COc1ccc(cc1[N+](=O)[O-])C1OC(=O)c2c(N1)cccc2

STK094921
Synonyms: benzylmethyl(2- {(2E)- 2- [(5- methylfuran- 2- yl)methylidene]hydrazinyl}- 2- oxoethyl)carbamate(non- preferredname)
Smiles: O=C(CN(C(=O)OCc1ccccc1)C)N/N=C/c1ccc(o1)C

STK094933
Synonyms: 2- (4- methoxybenzyl)- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1ccc(cc1)CN1CCc2c(C1)cccc2

STK094942
Synonyms: (2,4- dichlorophenyl)(4- ethylpiperazin- 1- yl)methanethione
Smiles: CCN1CCN(CC1)C(=S)c1ccc(cc1Cl)Cl

STK094944
Synonyms: 2- [(2- iodophenyl)amino]- 5,5- dimethylcyclohex- 2- en- 1- one
Smiles: O=C1CC(C)(C)CC=C1Nc1ccccc1I

STK094990
Synonyms: N'- [(1E)- 1- (1- hydroxynaphthalen- 2- yl)ethylidene]pyridine- 4- carbohydrazide
Smiles: C/C(=N\NC(=O)c1ccncc1)/c1ccc2c(c1O)cccc2

STK095014
Synonyms: 2,2'- (1- phenylprop- 1- yne- 3,3- diyl)bis(3- hydroxycyclohex- 2- en- 1- one)
Smiles: OC1=C(C(=O)CCC1)C(C1=C(O)CCCC1=O)C#Cc1ccccc1

STK095032
Synonyms: N- (3- ethoxypropyl)- 1- (pyridin- 3- ylmethyl)piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1cccnc1

STK095045
Synonyms: 4- chloro- N- (9,10- dioxo- 9,10- dihydroanthracen- 2- yl)benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1

STK095057
Synonyms: 2- [5- (4- methylphenyl)- 1,3,4- oxadiazol- 2- yl]- 3H- benzo[f]chromen- 3- one
Smiles: Cc1ccc(cc1)c1nnc(o1)c1cc2c(oc1=O)ccc1c2cccc1

STK095067
Synonyms: 6- [(2E)- 2- (2,4- dichlorobenzylidene)hydrazinyl]- N,N- dimethyl- 2- (propan- 2- yl)pyrimidin- 4- amine
Smiles: Clc1ccc(c(c1)Cl)/C=N/Nc1cc(nc(n1)C(C)C)N(C)C

STK095079
Synonyms: N- acetyl- N- [4- (4- bromophenyl)- 3- cyano- 4H- benzo[h]chromen- 2- yl]acetamide
Smiles: N#CC1=C(Oc2c(C1c1ccc(cc1)Br)ccc1c2cccc1)N(C(=O)C)C(=O)C

STK095082
Synonyms: (4Z)- 4- [2- (2- hydroxy- 4- methylphenyl)hydrazinylidene]- 5- methyl- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1ccc(c(c1)O)N/N=C\1/C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C

STK095087
Synonyms: N- (pyridin- 4- ylmethyl)methanesulfonamide
Smiles: CS(=O)(=O)NCc1ccncc1

STK095095
Synonyms: (4- fluorophenyl)[5- hydroxy- 5- (pentafluoroethyl)- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl]methanone
Smiles: Fc1ccc(cc1)C(=O)N1N=C(CC1(O)C(C(F)(F)F)(F)F)c1ccccc1

STK095104
Synonyms: 2- [(4- bromophenyl)ethynyl]aniline
Smiles: Brc1ccc(cc1)C#Cc1ccccc1N

STK095105
Synonyms: 2,4- dimethyl- 6- [(pyridin- 3- ylmethyl)carbamoyl]cyclohex- 3- ene- 1- carboxylicacid
Smiles: CC1=CC(C)C(C(C1)C(=O)NCc1cccnc1)C(=O)O

STK095129
Synonyms: 1- (4- chlorobenzyl)- 4- (diphenylmethyl)piperazine
Smiles: Clc1ccc(cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

STK095134
Synonyms: N'- (1,3- dimethyl- 5- nitro- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- yl)formichydrazide
Smiles: O=CNNc1n(C)c(=O)n(c(=O)c1[N+](=O)[O-])C

STK095139
Synonyms: (2E)- 4- oxo- 4- (2- phenyl- 1H- indol- 3- yl)but- 2- enoicacid
Smiles: OC(=O)/C=C/C(=O)c1c([nH]c2c1cccc2)c1ccccc1

STK095147
Synonyms: 1- benzyl- N- [3- (dimethylamino)- 2,2- dimethylpropyl]piperidine- 4- carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)Cc1ccccc1)(C)C)C

STK095149
Synonyms: 2- [(4,6- dimethylpyrimidin- 2- yl)sulfanyl]- 1- [2,2,4,6- tetramethyl- 4- (4- methylphenyl)- 3,4- dihydroquinolin- 1(2H)- yl]ethanone
Smiles: Cc1ccc2c(c1)C(C)(CC(N2C(=O)CSc1nc(C)cc(n1)C)(C)C)c1ccc(cc1)C

STK095181
Synonyms: 2- [(4- methylphenyl)amino]- N'- [(E)- pyridin- 2- ylmethylidene]acetohydrazide(non- preferredname)
Smiles: O=C(CNc1ccc(cc1)C)N/N=C/c1ccccn1

STK095188
Synonyms: 6- (3,4- dimethoxyphenyl)- 4- oxo- 2- thioxo- 1,2,3,4- tetrahydropyrimidine- 5- carbonitrile
Smiles: COc1cc(ccc1OC)c1[nH]c(=S)[nH]c(=O)c1C#N

STK095209
Synonyms: 2- amino- 4,5- diphenyl- 1- (tetrahydrofuran- 2- ylmethyl)- 1H- pyrrole- 3- carbonitrile
Smiles: N#Cc1c(N)n(c(c1c1ccccc1)c1ccccc1)CC1CCCO1

STK095217
Synonyms: N- methyl- N- [1- (1- phenyl- 1H- tetrazol- 5- yl)cyclohexyl]acetamide
Smiles: CC(=O)N(C1(CCCCC1)c1nnnn1c1ccccc1)C

STK095239
Synonyms: [(1- benzyl- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 4- yl)(phenyl)methyl]propanedinitrile
Smiles: N#CC(C(C1C(=NN(C1=O)Cc1ccccc1)C)c1ccccc1)C#N

STK095252
Synonyms: 7,11- bis(4- hydroxy- 3- methoxyphenyl)- 2,4,8,10- tetraazaspiro[5.5]undecane- 1,3,5,9- tetrone
Smiles: COc1cc(ccc1O)C1NC(=O)NC(C21C(=O)NC(=O)NC2=O)c1ccc(c(c1)OC)O

STK095289
Synonyms: 2- (dimethylamino)- 7- methyl- 6- nitro- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: CN(c1nn2c(s1)nc(c(c2=O)[N+](=O)[O-])C)C

STK095311
Synonyms: methyl4- {(1S,2S,3aR)- 3,3- dicyano- 1- [(4- fluorophenyl)carbonyl]- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinolin- 2- yl}benzoate
Smiles: COC(=O)c1ccc(cc1)[C@@H]1[C@@H](C(=O)c2ccc(cc2)F)N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1

STK095323
Synonyms: methylN- (2- cyclohexyl- 3- oxo- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- yl)glycinate
Smiles: COC(=O)CNC1N(C2CCCCC2)C(=O)C2=C1CCCC2

STK095344
Synonyms: 2- [3- (acetylamino)phenoxy]- N- (5- chloro- 2- methylphenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)COc1cccc(c1)NC(=O)C

STK095375
Synonyms: 3- oxo- 2- [3- (propan- 2- yloxy)propyl]- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- yl1,3- diphenyl- 1H- pyrazole- 4- carboxylate
Smiles: CC(OCCCN1C(OC(=O)c2cn(nc2c2ccccc2)c2ccccc2)C2=C(C1=O)CCCC2)C

STK095376
Synonyms: 3,5- diphenyl- 4,5- dihydro- 1H- pyrazole
Smiles: c1ccc(cc1)C1NN=C(C1)c1ccccc1

STK095377
Synonyms: N'- tert- butyl- N,N- diphenylbutanediamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CCC(=O)NC(C)(C)C

STK095409
Synonyms: 6- amino- 1- (4- bromophenyl)- 4- (4- chlorophenyl)- 3- methyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)Cl)c(C)nn2c1ccc(cc1)Br

STK095458
Synonyms: 1- (2- fluorophenyl)- 3- [5- (4- methylphenyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: O=C(Nc1ccccc1F)Nc1nnc(s1)c1ccc(cc1)C

STK095471
Synonyms: N'- [3- (4- methoxyphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]propanehydrazide
Smiles: CCC(=O)NNc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCCC3

STK095480
Synonyms: 1- (2,6- dimethylphenyl)- 3- (N- methylcarbamimidoyl)urea
Smiles: CNC(=N)NC(=O)Nc1c(C)cccc1C

STK095527
Synonyms: (2Z)- 2- [2- (4- chlorophenyl)hydrazinylidene]- 7- hydroxy- N- (2- methoxyphenyl)- 2H- chromene- 3- carboxamide
Smiles: COc1ccccc1NC(=O)c1cc2ccc(cc2o/c/1=N\Nc1ccc(cc1)Cl)O

STK095562
Synonyms: 4- {[(4- bromo- 2- chlorophenoxy)acetyl]amino}benzamide
Smiles: O=C(Nc1ccc(cc1)C(=O)N)COc1ccc(cc1Cl)Br

STK095587
Synonyms: 1- (3,4- dimethylphenyl)- 3- (3- phenylpyrrolidin- 1- yl)propan- 1- one
Smiles: O=C(c1ccc(c(c1)C)C)CCN1CCC(C1)c1ccccc1

STK095595
Synonyms: ethyl(2E)- 2- cyano- 3- {1- [2- (2,4- dimethylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}prop- 2- enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)CCOc1ccc(cc1C)C)/C#N

STK095619
Synonyms: [3- (benzyloxy)phenyl](thiophen- 2- yl)methanethiol
Smiles: SC(c1cccs1)c1cccc(c1)OCc1ccccc1

STK095621
Synonyms: 1- (bicyclo[2.2.1]hept- 5- en- 2- ylmethyl)- 4- (pentan- 3- yl)piperazine
Smiles: CCC(N1CCN(CC1)CC1CC2CC1C=C2)CC

STK095640
Synonyms: N- {2- [(2E)- 2- (1,3- benzodioxol- 5- ylmethylidene)hydrazinyl]- 2- oxoethyl}- 3- phenylpropanamide(non- preferredname)
Smiles: O=C(CNC(=O)CCc1ccccc1)N/N=C/c1ccc2c(c1)OCO2

STK095691
Synonyms: 2,5- bis(2- carboxyethyl)benzene- 1,4- dicarboxylicacid
Smiles: OC(=O)c1cc(CCC(=O)O)c(cc1CCC(=O)O)C(=O)O

STK095692
Synonyms: (2E)- 2- cyano- N- cyclohexyl- 3- [1- (2,4- dichlorobenzyl)- 2- methyl- 1H- indol- 3- yl]prop- 2- enamide
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)Cc1ccc(cc1Cl)Cl)/C(=O)NC1CCCCC1

STK095720
Synonyms: 2- [(4,6- dimethylpyrimidin- 2- yl)sulfanyl]- N'- {(E)- [2- (morpholin- 4- yl)- 5- nitrophenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nc(C)cc(n1)C)N/N=C/c1cc(ccc1N1CCOCC1)[N+](=O)[O-]

STK095729
Synonyms: 1- ethyl5- methyl2- (2- amino- 1,3- thiazol- 4- yl)- 2- (2- methylpropyl)pentanedioate
Smiles: CCOC(=O)C(c1csc(n1)N)(CC(C)C)CCC(=O)OC

STK095739
Synonyms: (4E)- 4- {3,5- dichloro- 2- [2- (4- cyclohexylphenoxy)ethoxy]benzylidene}- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Clc1cc(Cl)c(c(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)OCCOc1ccc(cc1)C1CCCCC1

STK095773
Synonyms: 5- (2- chloro- 6- fluorophenyl)- 2,2- dimethyl- 2,3,5,6- tetrahydrobenzo[a]phenanthridin- 4(1H)- one
Smiles: O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1c(F)cccc1Cl

STK095780
Synonyms: 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 3- (prop- 2- en- 1- yl)- 2,3,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: C=CCN1C(SCC(=O)c2cccs2)Nc2c(C1=O)c1CCCCc1s2

STK095818
Synonyms: 2- methyl- 1- phenyl- 3- (phenylamino)cyclopentanecarboxylicacid
Smiles: OC(=O)C1(CCC(C1C)Nc1ccccc1)c1ccccc1

STK095848
Synonyms: 1,3- dimethyl- 2,4,6- trioxo- N- phenylhexahydropyrimidine- 5- carbothioamide
Smiles: CN1C(=O)C(C(=S)Nc2ccccc2)C(=O)N(C1=O)C

STK095860
Synonyms: 2- [3- (4- chlorobenzyl)- 1- methyl- 5- oxo- 2- thioxoimidazolidin- 4- yl]- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CC1C(=O)N(C(=S)N1Cc1ccc(cc1)Cl)C

STK095878
Synonyms: 6- methyl- 2- [4- (propan- 2- yl)phenyl]- 2H- benzotriazol- 5- amine
Smiles: CC(c1ccc(cc1)n1nc2c(n1)cc(c(c2)N)C)C

STK095908
Synonyms: 2,6- diacetyl- 2,6- dibromo- s- indacene- 1,3,5,7(2H,6H)- tetrone
Smiles: CC(=O)C1(Br)C(=O)c2c(C1=O)cc1c(c2)C(=O)C(C1=O)(Br)C(=O)C

STK095933
Synonyms: 2- (2,3- dimethylcyclohexyl)- 3- (diphenylamino)- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- one
Smiles: CC1CCCC(C1C)N1C(=O)C2=C(C1N(c1ccccc1)c1ccccc1)CCCC2

STK095936
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl3- methylbenzoate
Smiles: Cc1cccc(c1)C(=O)OC1CN2CCC1CC2

STK095950
Synonyms: 4- (ethoxycarbonyl)- 4- [2- (phenylamino)- 1,3- thiazol- 4- yl]hexanoicacid
Smiles: CCOC(=O)C(c1csc(n1)Nc1ccccc1)(CCC(=O)O)CC

STK095982
Synonyms: N- (4- aminophenyl)- 2- methoxy- 2- phenylacetamide
Smiles: COC(c1ccccc1)C(=O)Nc1ccc(cc1)N

STK095984
Synonyms: 2- (2- methyl- 1H- indol- 3- yl)- 1H- benzimidazole
Smiles: Cc1[nH]c2c(c1c1nc3c([nH]1)cccc3)cccc2

STK095985
Synonyms: 2- [(2E)- 2- (3- methyl- 5- oxo- 1- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene)hydrazinyl]naphthalene- 1- sulfonicacid
Smiles: CC1=NN(C(=O)/C/1=N/Nc1ccc2c(c1S(=O)(=O)O)cccc2)c1ccccc1

STK095994
Synonyms: 7- hydroxy- 2- oxo- N- (1,3- thiazol- 2- yl)- 2H- chromene- 3- carboxamide
Smiles: Oc1ccc2c(c1)oc(=O)c(c2)C(=O)Nc1nccs1

STK096004
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- N'- phenylethanediamide
Smiles: O=C(C(=O)NCCC1=CCCCC1)Nc1ccccc1

STK096037
Synonyms: (3- fluorophenyl)(phenyl)bromonium
Smiles: Fc1cccc(c1)[Br+]c1ccccc1

STK096057
Synonyms: N- [(4- aminophenyl)sulfonyl]methionine
Smiles: CSCCC(C(=O)O)NS(=O)(=O)c1ccc(cc1)N

STK096064
Synonyms: 3- methoxy- N- [(E)- (5- methylfuran- 2- yl)methylidene]aniline
Smiles: COc1cccc(c1)/N=C/c1ccc(o1)C

STK096071
Synonyms: 1,4- bis[(pyridin- 3- yloxy)methyl]piperazine
Smiles: c1ccc(cn1)OCN1CCN(CC1)COc1cccnc1

STK096089
Synonyms: N- {[2- (2- bromophenyl)- 1,3- benzoxazol- 5- yl]carbamothioyl}- 4- methylbenzamide
Smiles: S=C(NC(=O)c1ccc(cc1)C)Nc1ccc2c(c1)nc(o2)c1ccccc1Br

STK096095
Synonyms: N- (3- chlorophenyl)- 6- (2,6- dimethylphenyl)- 5,6- dihydropyrrolo[2,3- c]pyrazole- 1(4H)- carboxamide
Smiles: Clc1cccc(c1)NC(=O)n1ncc2c1N(CC2)c1c(C)cccc1C

STK096099
Synonyms: (10Z)- 10- {4- [(2- fluorobenzyl)oxy]- 3- methoxybenzylidene}- 7- (3- methoxyphenyl)- 5,7- dihydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazolin- 9(10H)- one
Smiles: COc1cccc(c1)C1C2=C(N=c3n1c(=O)/c(=C/c1ccc(c(c1)OC)OCc1ccccc1F)/s3)c1c(CC2)cccc1

STK096162
Synonyms: N- [(E)- (3- chloro- 5- methoxy- 4- {2- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]ethoxy}phenyl)methylidene]- 4H- 1,2,4- triazol- 4- amine
Smiles: C=CCc1ccc(c(c1)OC)OCCOc1c(Cl)cc(cc1OC)/C=N/n1cnnc1

STK096168
Synonyms: 2- [(2,4- dimethylbenzyl)sulfanyl]- 3- ethyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCn1c(SCc2ccc(cc2C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK096180
Synonyms: 6- chloro- 2- imino- 9- methyl- 1- (morpholin- 4- ylcarbonyl)- 2,9- dihydro- 1H- pyrido[2,3- b]indole- 3,4- dicarbonitrile
Smiles: N#Cc1c(=N)n(C(=O)N2CCOCC2)c2c(c1C#N)c1cc(Cl)ccc1n2C

STK096196
Synonyms: methyl(2E)- cyano{2- [4- (1,3- thiazol- 2- ylsulfamoyl)phenyl]hydrazinylidene}ethanoate
Smiles: N#C/C(=N\Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)/C(=O)OC

STK096204
Synonyms: (E)- N- hydroxy- 1- [1- (4- iodophenyl)- 1H- pyrrol- 2- yl]methanimine
Smiles: O/N=C/c1cccn1c1ccc(cc1)I

STK096213
Synonyms: N- [(3,4- dimethylphenyl)carbamothioyl]- 3,4,5- triethoxybenzamide
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccc(c(c1)C)C

STK096224
Synonyms: 4- benzyl- 5- (furan- 2- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1Cc1ccccc1)c1ccco1

STK096233
Synonyms: N- {(Z)- {[5- chloro- 2- (phenylcarbonyl)phenyl]amino}[(4,6- dimethylpyrimidin- 2- yl)amino]methylidene}- 4- fluorobenzenesulfonamide
Smiles: Clc1ccc(c(c1)N/C(=N/S(=O)(=O)c1ccc(cc1)F)/Nc1nc(C)cc(n1)C)C(=O)c1ccccc1

STK096267
Synonyms: N- (4- methylphenyl)- 2- [2- (trifluoromethyl)- 1H- benzimidazol- 1- yl]acetamide
Smiles: O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc(cc1)C

STK096277
Synonyms: 2- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- 3- phenyl- 4a,8a- dihydroquinazolin- 4(3H)- one
Smiles: O=C1C2C=CC=CC2N=C(N1c1ccccc1)CSc1nc(C)cc(n1)C

STK096285
Synonyms: 5- (4- tert- butylcyclohexylidene)- 1,3- thiazolidine- 2,4- dione
Smiles: CC(C1CC/C(=C/2\SC(=O)NC2=O)/CC1)(C)C

STK096344
Synonyms: 5- {[(4- methylphenyl)sulfonyl]amino}- 4H- 1,2,4- triazole- 3- carboxylicacid
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1nnc([nH]1)C(=O)O

STK096378
Synonyms: (phenylsulfonyl)methylN'- cyano- N- methylcarbamimidothioate
Smiles: CN/C(=N\C#N)/SCS(=O)(=O)c1ccccc1

STK096380
Synonyms: N- (2,5- dichlorophenyl)- 2- phenoxypropanamide
Smiles: O=C(C(Oc1ccccc1)C)Nc1cc(Cl)ccc1Cl

STK096408
Synonyms: 3- hydroxy- 2- propyl- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- one
Smiles: CCCN1C(O)C2=C(C1=O)CCCC2

STK096412
Synonyms: piperidinium4- oxo- 2- (piperidin- 1- yl)- 4- [3- (propan- 2- yl)- 3,3a,4,5,6,7- hexahydro- 2H- indazol- 2- yl]butanoate
Smiles: C1CCC[NH2+]C1.CC(C1N(N=C2C1CCCC2)C(=O)CC(N1CCCCC1)C(=O)[O-])C

STK096427
Synonyms: 2- [benzyl(2- ethoxybenzyl)amino]ethanol
Smiles: OCCN(Cc1ccccc1OCC)Cc1ccccc1

STK096429
Synonyms: 2- ethoxy- 4- (4- hydroxy- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)phenylnaphthalene- 1- carboxylate
Smiles: CCOc1cc(ccc1OC(=O)c1cccc2c1cccc2)C1N=C(O)c2c(N1)sc1c2CCCC1

STK096451
Synonyms: 1- (2- methoxybenzyl)- N- (tetrahydrofuran- 2- ylmethyl)piperidine- 4- carboxamide
Smiles: COc1ccccc1CN1CCC(CC1)C(=O)NCC1CCCO1

STK096459
Synonyms: diphenyl(2- phenyl- 4H- 1,3,2- benzodioxaborinin- 4- yl)phosphaneoxide
Smiles: O=P(C1OB(Oc2c1cccc2)c1ccccc1)(c1ccccc1)c1ccccc1

STK096461
Synonyms: 4- {[1- (3- methylphenyl)- 1H- pyrazolo[3,4- d]pyrimidin- 4- yl]amino}benzoicacid
Smiles: Cc1cccc(c1)n1ncc2c1ncnc2Nc1ccc(cc1)C(=O)O

STK096482
Synonyms: 5,5- diethyl- 6- imino- 3- methyldihydropyrimidine- 2,4(1H,3H)- dione
Smiles: CCC1(CC)C(=N)NC(=O)N(C1=O)C

STK096597
Synonyms: 3,4- dihydroisoquinolin- 2(1H)- yl(3,5- dimethoxyphenyl)methanone
Smiles: COc1cc(OC)cc(c1)C(=O)N1CCc2c(C1)cccc2

STK096604
Synonyms: 1- [(4- methylphenyl)sulfonyl]- 1H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)S(=O)(=O)n1ncnc1

STK096698
Synonyms: 3- [4- (methylsulfanyl)- 2- oxopyrimidin- 1(2H)- yl]propanenitrile
Smiles: CSc1ccn(c(=O)n1)CCC#N

STK096716
Synonyms: (3Z,3'Z)- 3,3'- (benzene- 1,3- diyldinitrilo)bis(1,3- dihydro- 2H- indol- 2- one)
Smiles: O=C1Nc2c(/C/1=N/c1cccc(c1)/N=C/1\C(=O)Nc3c1cccc3)cccc2

STK096735
Synonyms: 2- methoxy- 4- {(Z)- [1- (4- methoxyphenyl)- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene]methyl}phenylbenzenesulfonate
Smiles: COc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)OC)OS(=O)(=O)c2ccccc2)/C1=O

STK096737
Synonyms: 8- methoxy- 4,4- dimethyl- 1- (methylsulfanyl)- 4,5- dihydro[1,2]dithiolo[3,4- c]quinolin- 2- ium
Smiles: COc1ccc2c(c1)c1c(SC)[s+]sc1C(N2)(C)C

STK096748
Synonyms: N- [2- chloro- 5- (trifluoromethyl)phenyl]- 2- (3,5- dimethylphenoxy)acetamide
Smiles: O=C(Nc1cc(ccc1Cl)C(F)(F)F)COc1cc(C)cc(c1)C

STK096757
Synonyms: 4- iodo- 1- methyl- N- (tetrahydrofuran- 2- ylmethyl)- 1H- pyrazole- 5- carboxamide
Smiles: O=C(c1c(I)cnn1C)NCC1CCCO1

STK096773
Synonyms: 1- (biphenyl- 4- yl)- 2- [4- hydroxy- 1,1- dioxido- 3- (phenylcarbonyl)- 2H- 1,2- benzothiazin- 2- yl]ethanone
Smiles: O=C(c1ccc(cc1)c1ccccc1)CN1C(=C(O)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

STK096778
Synonyms: (2E)- 3- (9- ethyl- 9H- carbazol- 3- yl)- 1- phenylprop- 2- en- 1- one
Smiles: CCn1c2ccc(cc2c2c1cccc2)/C=C/C(=O)c1ccccc1

STK096874
Synonyms: S- (4- hydroxy- 6- phenylpyrimidin- 2- yl)10H- phenothiazine- 10- carbothioate
Smiles: Oc1nc(nc(c1)c1ccccc1)SC(=O)N1c2ccccc2Sc2c1cccc2

STK096879
Synonyms: 5- hydroxy- 7- propyl- 3,7- dihydro[1,4]oxazepino[6,7- c]quinolin- 6(2H)- one
Smiles: CCCn1c2ccccc2c2c(c1=O)C(=NCCO2)O

STK096884
Synonyms: N- {(2Z)- 3- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 8- methoxy- 2H- chromen- 2- ylidene}- 1,3- thiazol- 2- amine
Smiles: COc1cccc2c1o/c(=N\c1nccs1)/c(c2)c1scc(n1)c1ccc(c(c1)Cl)Cl

STK096885
Synonyms: 2- hydroxy- N- methylacetamide
Smiles: CNC(=O)CO

STK096889
Synonyms: 2- (2- benzyl- 4- hydroxy- 5- propoxypentanoyl)- N- phenylhydrazinecarbothioamide(non- preferredname)
Smiles: CCCOCC(CC(C(=O)NNC(=S)Nc1ccccc1)Cc1ccccc1)O

STK096904
Synonyms: 4- [(5,5- dimethyl- 3- oxocyclohex- 1- en- 1- yl)amino]benzoicacid
Smiles: O=C1C=C(Nc2ccc(cc2)C(=O)O)CC(C1)(C)C

STK096923
Synonyms: 2- butyl- 3- [(2,3- dimethylcyclohexyl)amino]- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- one
Smiles: CCCCN1C(NC2CCCC(C2C)C)C2=C(C1=O)CCCC2

STK096946
Synonyms: methyl2- ({[(4- methylphenyl)sulfonyl]carbonyl}amino)benzoate
Smiles: COC(=O)c1ccccc1NC(=O)S(=O)(=O)c1ccc(cc1)C

STK096951
Synonyms: 2- (1H- benzotriazol- 1- yl)- N'- [(E)- (1- methyl- 1H- pyrrol- 2- yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc2c1cccc2)N/N=C/c1cccn1C

STK096992
Synonyms: 4- tert- butyl- N- (4- hydroxyphenyl)cyclohexanecarboxamide
Smiles: O=C(C1CCC(CC1)C(C)(C)C)Nc1ccc(cc1)O

STK097005
Synonyms: N- (acridin- 9- yl)- 4- nitrobenzenesulfonamide
Smiles: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1c2ccccc2nc2c1cccc2

STK097036
Synonyms: N- (tetrahydrofuran- 2- ylmethyl)- 2- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)hydrazinecarbothioamide
Smiles: S=C(NNC(=O)C12CC3CC(C2)CC(C1)C3)NCC1CCCO1

STK097037
Synonyms: {2- [(3- oxo- 3- phenylpropanoyl)amino]phenoxy}aceticacid
Smiles: O=C(CC(=O)c1ccccc1)Nc1ccccc1OCC(=O)O

STK097049
Synonyms: (5,6- dimethyl- 1H- benzimidazol- 1- yl)(4- methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)n1cnc2c1cc(C)c(c2)C

STK097068
Synonyms: N- {[4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]carbamothioyl}butanamide
Smiles: CCCC(=O)NC(=S)Nc1scc(n1)c1ccc(c(c1)OC)OC

STK097076
Synonyms: (4E)- 5- methyl- 2- (4- nitrophenyl)- 4- (2- phenylhydrazinylidene)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CC1=NN(C(=O)/C/1=N/Nc1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK097082
Synonyms: methylN- [(2- chloro- 4- nitrophenyl)carbonyl]glycinate
Smiles: COC(=O)CNC(=O)c1ccc(cc1Cl)[N+](=O)[O-]

STK097089
Synonyms: N- (3- ethoxypropyl)- 1- (3- phenylpropyl)piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)CCCc1ccccc1

STK097095
Synonyms: 2- [(4,6- dimethylpyrimidin- 2- yl)oxy]- 3- methoxy- 3,3- diphenylpropanoicacid
Smiles: COC(C(C(=O)O)Oc1nc(C)cc(n1)C)(c1ccccc1)c1ccccc1

STK097102
Synonyms: 2- (1,3- benzoxazol- 2- yl)- 5- {[(E)- (3,4- dichlorophenyl)methylidene]amino}phenol
Smiles: Oc1cc(/N=C/c2ccc(c(c2)Cl)Cl)ccc1c1nc2c(o1)cccc2

STK097120
Synonyms: 4,10,11,11- tetrachloro- 5- methyldecahydro- 1H,3H- 4,10- methanonaphtho[2,3- c:6,7- c']difuran- 1,3,6,8- tetrone
Smiles: O=C1OC(=O)C2C1CC1C(C2C)C2(C(C1(Cl)C1C2C(=O)OC1=O)(Cl)Cl)Cl

STK097141
Synonyms: (4S,6R)- 6- methyl- 8- phenyl- 4- (phenylamino)- 5,6,8,8a,9,11a- hexahydro- 4H- cyclopenta[c]pyrido[3,2,1- ij]quinolinium
Smiles: C[C@@H]1C[C@H](Nc2ccccc2)c2c3[NH+]1C(c1ccccc1)C1C(c3ccc2)C=CC1

STK097179
Synonyms: 2- (4- {(Z)- [(2Z)- 4- oxo- 2- (phenylimino)- 3- propyl- 1,3- thiazolidin- 5- ylidene]methyl}phenoxy)- N- phenylacetamide
Smiles: CCCN1/C(=N/c2ccccc2)/S/C(=C\c2ccc(cc2)OCC(=O)Nc2ccccc2)/C1=O

STK097187
Synonyms: N- {[4- (1,3- benzoxazol- 2- yl)- 3- hydroxyphenyl]carbamothioyl}- 3- methoxybenzamide
Smiles: COc1cccc(c1)C(=O)NC(=S)Nc1ccc(c(c1)O)c1nc2c(o1)cccc2

STK097206
Synonyms: (2E)- N- benzyl- 2- cyano- 3- {1- [2- (3,5- dimethylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}prop- 2- enamide
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)CCOc1cc(C)cc(c1)C)/C(=O)NCc1ccccc1

STK097209
Synonyms: 3- (3- cyclohexyl- 1,2,4- oxadiazol- 5- yl)pyridine
Smiles: C1CCC(CC1)c1noc(n1)c1cccnc1

STK097234
Synonyms: (6Z)- 6- (4- {2- [2- (3,4- dimethylphenoxy)ethoxy]ethoxy}- 3- ethoxybenzylidene)- 5- imino- 2- (propan- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCCOCCOc1ccc(c(c1)C)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C

STK097239
Synonyms: 1- (piperidin- 1- yl)propan- 2- yl4- methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)OC(CN1CCCCC1)C

STK097257
Synonyms: 2- sulfanyl- 6- (thiophen- 2- yl)- 4- (trifluoromethyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(S)nc(cc1C(F)(F)F)c1cccs1

STK097258
Synonyms: methyl3- (2,3- dichlorophenyl)- 3- {[(5- propoxy- 1H- indol- 2- yl)carbonyl]amino}propanoate
Smiles: CCCOc1ccc2c(c1)cc([nH]2)C(=O)NC(c1cccc(c1Cl)Cl)CC(=O)OC

STK097292
Synonyms: 1- [2- (2- methyl- 5- oxo- 4- propyltetrahydrofuran- 2- yl)- 2- oxoethyl]- 1,4- dihydroquinoxaline- 2,3- dione(non- preferredname)
Smiles: CCCC1CC(OC1=O)(C)C(=O)Cn1c(=O)c(=O)[nH]c2c1cccc2

STK097310
Synonyms: 2- [(quinolin- 8- yloxy)carbonyl]benzoicacid
Smiles: OC(=O)c1ccccc1C(=O)Oc1cccc2c1nccc2

STK097319
Synonyms: ethyl4- (2,5- dioxo- 3- {[4- (trifluoromethoxy)phenyl]amino}pyrrolidin- 1- yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)Nc1ccc(cc1)OC(F)(F)F

STK097322
Synonyms: N- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- 2- {3- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)carbamoyl]phenyl}- 1,3- dioxo- 2,3- dihydro- 1H- isoindole- 5- carboxamide
Smiles: O=C(c1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)C(=O)NN1C(=O)c2c(C1=O)cccc2)NN1C(=O)c2c(C1=O)cccc2

STK097337
Synonyms: N'- {(E)- [2- (morpholin- 4- yl)- 5- nitrophenyl]methylidene}pyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)N/N=C/c1cc(ccc1N1CCOCC1)[N+](=O)[O-]

STK097352
Synonyms: 4- {4- (4- bromophenyl)- 5- [(2- fluorobenzyl)sulfanyl]- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: Brc1ccc(cc1)n1c(SCc2ccccc2F)nnc1c1ccncc1

STK097357
Synonyms: 4- imino- 8,8- dimethyl- 1,6,8,9- tetrahydro- 2H,4H- pyrano[3',4':5,6]pyrido[2,3- d][1,3]thiazine- 2- thione
Smiles: S=c1sc(=N)c2c([nH]1)nc1c(c2)COC(C1)(C)C

STK097374
Synonyms: (2E)- 2- cyano- 3- {4- [2- (3,5- dimethylphenoxy)ethoxy]phenyl}- N- (furan- 2- ylmethyl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(cc1)OCCOc1cc(C)cc(c1)C)/C(=O)NCc1ccco1

STK097405
Synonyms: cyclopropyl[5- hydroxy- 5- (pentafluoroethyl)- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl]methanone
Smiles: O=C(N1N=C(CC1(O)C(C(F)(F)F)(F)F)c1ccccc1)C1CC1

STK097440
Synonyms: 3- {[2- methyl- 4- (phenylamino)- 3,4- dihydroquinolin- 1(2H)- yl]carbonyl}benzoicacid
Smiles: CC1CC(Nc2ccccc2)c2c(N1C(=O)c1cccc(c1)C(=O)O)cccc2

STK097443
Synonyms: 1- (4- methoxyphenyl)- 3- {5- [(2- phenoxyethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)SCCOc1ccccc1

STK097467
Synonyms: 1- (3- methoxyphenyl)- 3- [5- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: COc1cccc(c1)NC(=O)Nc1nnc(s1)C12CC3CC(C2)CC(C1)C3

STK097468
Synonyms: 2- bromo- N- [(E)- naphthalen- 2- ylmethylidene]- 4- nitroaniline
Smiles: Brc1cc(ccc1/N=C/c1ccc2c(c1)cccc2)[N+](=O)[O-]

STK097469
Synonyms: 5- (3- nitrophenyl)- 7- phenyl- 1,5- dihydro- 2H- pyrano[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: [O-][N+](=O)c1cccc(c1)C1C=C(Oc2c1c(=O)[nH]c(=O)[nH]2)c1ccccc1

STK097492
Synonyms: 2- [(4- chlorophenyl)amino]- 2- oxoethyl2- methylquinoline- 4- carboxylate
Smiles: O=C(Nc1ccc(cc1)Cl)COC(=O)c1cc(C)nc2c1cccc2

STK097500
Synonyms: (2- methyl- 1- benzofuran- 5- yl)methylcarbamimidothioatehydrochloride
Smiles: NC(=N)SCc1ccc2c(c1)cc(o2)C.Cl

STK097506
Synonyms: 8- [(2,3- dihydroxypropyl)amino]- 1,3- dimethyl- 7- (2- phenylethyl)- 3,4,5,7- tetrahydro- 1H- purine- 2,6- dione
Smiles: OCC(CNC1=NC2C(N1CCc1ccccc1)C(=O)N(C(=O)N2C)C)O

STK097520
Synonyms: (2E)- 3- (1,3- benzodioxol- 5- ylamino)- 1- phenylprop- 2- en- 1- one
Smiles: O=C(c1ccccc1)/C=C/Nc1ccc2c(c1)OCO2

STK097527
Synonyms: (3,5- di- tert- butyl- 4- hydroxyphenyl)- N- [(hexyloxy)methyl]- N,N- dimethylmethanaminium
Smiles: CCCCCCOC[N+](Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C

STK097534
Synonyms: 5- ethoxy- 2,2,3- trimethyl- 5- (phenylethynyl)bicyclo[2.2.1]heptane
Smiles: CCOC1(C#Cc2ccccc2)CC2CC1C(C2(C)C)C

STK097565
Synonyms: N- {(Z)- [(4,6- dimethylpyrimidin- 2- yl)amino][(4- methylphenyl)amino]methylidene}- 10H- phenothiazine- 10- carboxamide
Smiles: Cc1nc(N/C(=N\C(=O)N2c3ccccc3Sc3c2cccc3)/Nc2ccc(cc2)C)nc(c1)C

STK097587
Synonyms: (2S,3R,10bS)- 2- (2,5- dimethoxyphenyl)- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: COc1ccc(c(c1)[C@H]1[C@@H](N2[C@H](C1(C#N)C#N)c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3)OC

STK097604
Synonyms: N- (1,3- benzothiazol- 2- yl)- 2- (1H- imidazol- 1- yl)acetamide
Smiles: O=C(Nc1nc2c(s1)cccc2)Cn1cncc1

STK097612
Synonyms: ethylcyano(7- methyl- 5- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl)acetate
Smiles: CCOC(=O)C(c1nn2c(s1)nc(cc2=O)C)C#N

STK097615
Synonyms: N- (2- {(2Z)- 2- [1- (1,3- benzodioxol- 5- ylmethyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]hydrazinyl}- 2- oxoethyl)- 3,4,5- trimethoxybenzamide(non- preferredname)
Smiles: COc1cc(cc(c1OC)OC)C(=O)NCC(=O)N/N=C\1/c2ccccc2N(C1=O)Cc1ccc2c(c1)OCO2

STK097631
Synonyms: (5Z)- 5- (4- chlorobenzylidene)- 3- phenyl- 1,3- thiazolidine- 2,4- dione
Smiles: Clc1ccc(cc1)/C=C/1\SC(=O)N(C1=O)c1ccccc1

STK097652
Synonyms: (6Z)- 6- {[5- (2,4- dichlorophenyl)furan- 2- yl]methylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1ccc(c(c1)Cl)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK097663
Synonyms: 1- (3,4- dimethoxybenzyl)- N- [2- (dimethylamino)ethyl]piperidine- 4- carboxamide
Smiles: COc1cc(ccc1OC)CN1CCC(CC1)C(=O)NCCN(C)C

STK097666
Synonyms: quinolin- 2- ol
Smiles: Oc1ccc2c(n1)cccc2

STK097667
Synonyms: 2- hydroxy- 4- {[(E)- (2- hydroxy- 5- nitrophenyl)methylidene]amino}benzoicacid
Smiles: Oc1ccc(cc1/C=N/c1ccc(c(c1)O)C(=O)O)[N+](=O)[O-]

STK097681
Synonyms: ethyl2- {(E)- 2- [5- (4- nitrophenyl)furan- 2- yl]ethenyl}quinoline- 4- carboxylate
Smiles: CCOC(=O)c1cc(/C=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])nc2c1cccc2

STK097698
Synonyms: N- [(5Z)- 5- (2- hydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: S=C1S/C(=C\c2ccccc2O)/C(=O)N1NC(=O)c1ccccc1

STK097700
Synonyms: 2- [(4- methylpiperidin- 1- yl)methyl]pyridine
Smiles: CC1CCN(CC1)Cc1ccccn1

STK097715
Synonyms: 4- bromo- 2- {(E)- [(2,6- dibromo- 4- chlorophenyl)imino]methyl}phenol
Smiles: Brc1ccc(c(c1)/C=N/c1c(Br)cc(cc1Br)Cl)O

STK097729
Synonyms: 1- [5- (3- chloro- 4- methylphenyl)- 2,2- dimethyl- 1,3,4- oxadiazol- 3(2H)- yl]ethanone
Smiles: CC(=O)N1N=C(OC1(C)C)c1ccc(c(c1)Cl)C

STK097755
Synonyms: ethyl(2Z)- 5- (3,4- dimethoxyphenyl)- 2- ({5- [2- (methoxycarbonyl)phenyl]furan- 2- yl}methylidene)- 7- methyl- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C/c1ccc(o1)c1ccccc1C(=O)OC)/s2

STK097773
Synonyms: 4- amino- N- {2- [(furan- 2- ylcarbonyl)amino]ethyl}- 1,2,5- oxadiazole- 3- carboxamide
Smiles: O=C(c1ccco1)NCCNC(=O)c1nonc1N

STK097774
Synonyms: N- {(2E,5Z)- 5- [(5- iodofuran- 2- yl)methylidene]- 4- oxo- 1,3- thiazolidin- 2- ylidene}- 4- nitrobenzenesulfonamide
Smiles: Ic1ccc(o1)/C=C/1\S/C(=N/S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])/NC1=O

STK097809
Synonyms: 3- hydroxy- 3- methylbutylphenylcarbamate
Smiles: O=C(Nc1ccccc1)OCCC(O)(C)C

STK097818
Synonyms: N,N'- [(1E,3E,5E)- 3- methylpenta- 1,3- dien- 1- yl- 5- ylidene]dianiline
Smiles: C/C(=C\C=N\c1ccccc1)/C=C/Nc1ccccc1

STK097825
Synonyms: N- (4- nitrophenyl)- 3- oxobutanamide
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])CC(=O)C

STK097835
Synonyms: 6- ethoxy- 3- (4- fluorophenyl)- 5,5- dimethyl- 3,3a,4,5- tetrahydrocyclopenta[de]quinazolin- 2(1H)- one
Smiles: CCOc1ccc2c3c1C(C)(C)CC3N(C(=O)N2)c1ccc(cc1)F

STK097841
Synonyms: 4- chloro- N- (4- chlorobenzyl)- N- [1- (4- methoxyphenyl)- 2,5- dioxopyrrolidin- 3- yl]benzamide
Smiles: COc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)c1ccc(cc1)Cl)Cc1ccc(cc1)Cl

STK097878
Synonyms: 2- amino- 4- (2,6- dichlorophenyl)- 6,6- dimethyl- 5- oxo- 5,6,7,8- tetrahydro- 4H- chromene- 3- carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1c(Cl)cccc1Cl)C(=O)C(CC2)(C)C

STK097906
Synonyms: ethyl2- [(1,3- benzodioxol- 5- ylcarbonyl)amino]benzoate
Smiles: CCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCO2

STK097912
Synonyms: 2- [(2- hydroxyethyl)amino]- 6,6- dimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: OCCNc1nc2sc3c(c2c(=O)[nH]1)CC(OC3)(C)C

STK097984
Synonyms: (2Z)- N- hydroxy- 3- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]- 2H- chromen- 2- imine
Smiles: O/N=c/1\oc2ccccc2cc1c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK098005
Synonyms: N- tert- butyl- N'- (thiophen- 2- ylmethyl)butanediamide
Smiles: O=C(NCc1cccs1)CCC(=O)NC(C)(C)C

STK098014
Synonyms: N- (4- {[(5- ethyl- 2- methyl- 1H- indol- 3- yl)acetyl]amino}- 2,5- dimethoxyphenyl)benzamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)Cc1c(C)[nH]c2c1cc(CC)cc2)OC

STK098021
Synonyms: diphenyl(2- phenyl- 4H- 1,3,2- benzodioxaborinin- 4- yl)phosphane
Smiles: c1ccc(cc1)B1Oc2ccccc2C(O1)P(c1ccccc1)c1ccccc1

STK098026
Synonyms: 3- {3- [4- (4- propylcyclohexyl)phenyl]- 1,2,4- oxadiazol- 5- yl}pyridine
Smiles: CCCC1CCC(CC1)c1ccc(cc1)c1noc(n1)c1cccnc1

STK098036
Synonyms: 1- (2- hydroxybenzyl)- N- (prop- 2- en- 1- yl)piperidine- 4- carboxamide
Smiles: C=CCNC(=O)C1CCN(CC1)Cc1ccccc1O

STK098041
Synonyms: 2- methyl- 3- (phenylcarbonyl)quinoline- 4- carboxylicacid
Smiles: Cc1nc2ccccc2c(c1C(=O)c1ccccc1)C(=O)O

STK098046
Synonyms: 1- (4- methoxybenzyl)- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1)OC)C

STK098070
Synonyms: 4- (dimethylamino)- N'- (4,6- dioxotetrahydropyrimidin- 2(1H)- ylidene)benzohydrazide
Smiles: CN(c1ccc(cc1)C(=O)NN=C1NC(=O)CC(=O)N1)C

STK098102
Synonyms: N- (4- ethoxyphenyl)- N'- (prop- 2- en- 1- yl)hydrazine- 1,2- dicarbothioamide
Smiles: CCOc1ccc(cc1)NC(=S)NNC(=S)NCC=C

STK098114
Synonyms: N'- [(E)- (5- chloro- 2- ethoxyphenyl)methylidene]- 2- [(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]acetohydrazide
Smiles: CCOc1ccc(cc1/C=N/NC(=O)CSc1nnc(s1)C)Cl

STK098119
Synonyms: N- (2,3- dimethylcyclohexyl)- N'- (2- phenylethyl)butanediamide
Smiles: CC1C(C)CCCC1NC(=O)CCC(=O)NCCc1ccccc1

STK098120
Synonyms: N- (3- butoxypropyl)- N'- {2,5- dimethoxy- 4- [(phenylcarbonyl)amino]phenyl}butanediamide
Smiles: CCCCOCCCNC(=O)CCC(=O)Nc1cc(OC)c(cc1OC)NC(=O)c1ccccc1

STK098132
Synonyms: N- [(5Z)- 5- (3- hydroxybenzylidene)- 4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl]acetamide
Smiles: CC(=O)NC1=NC(=O)/C(=C/c2cccc(c2)O)/S1

STK098142
Synonyms: 5,7- dimethyl- 2- (pyridin- 4- yl)- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: O=C1C2(C)CN3CC1(C)CN(C2)C3c1ccncc1

STK098158
Synonyms: 2- [8- (benzylsulfanyl)- 3- methyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl]acetamide
Smiles: NC(=O)Cn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK098161
Synonyms: (5Z)- 5- (5- bromo- 2- methoxybenzylidene)- 2- (piperidin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccc(cc1/C=C/1\SC(=NC1=O)N1CCCCC1)Br

STK098210
Synonyms: 1- {4- [(4- ethylpiperazin- 1- yl)carbonyl]piperidin- 1- yl}- 3- (4- fluorophenyl)- 2- (2- oxopyridin- 1(2H)- yl)propane- 1,3- dione
Smiles: CCN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F

STK098217
Synonyms: 3- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 5- (methylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=C)C)nn2)CCC3

STK098219
Synonyms: N- [2- (5- methoxy- 6- nitro- 1H- indol- 3- yl)ethyl]acetamide
Smiles: COc1cc2c(CCNC(=O)C)c[nH]c2cc1[N+](=O)[O-]

STK098224
Synonyms: N- (2,4- dimethylphenyl)- 2- [(trifluoroacetyl)amino]- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxamide
Smiles: Cc1ccc(c(c1)C)NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCC2

STK098233
Synonyms: N- [4- chloro- 3- (trifluoromethyl)phenyl]- 2- (2- methylphenoxy)acetamide
Smiles: O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)COc1ccccc1C

STK098243
Synonyms: 2- amino- 6- methyl- 4,6- diphenylcyclohexa- 2,4- diene- 1,1,3- tricarbonitrile
Smiles: N#CC1=C(N)C(C(C=C1c1ccccc1)(C)c1ccccc1)(C#N)C#N

STK098306
Synonyms: 1- (cyclohexylmethyl)- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)CC1CCCCC1)C

STK098309
Synonyms: 2- [4- (cyclohexylamino)- 4- oxobutan- 2- yl]hexanoicacid
Smiles: CCCCC(C(=O)O)C(CC(=O)NC1CCCCC1)C

STK098323
Synonyms: (5Z)- 5- {3,5- dichloro- 2- [2- (4- cyclohexylphenoxy)ethoxy]benzylidene}- 3- (prop- 2- en- 1- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCN1C(=S)S/C(=C\c2cc(Cl)cc(c2OCCOc2ccc(cc2)C2CCCCC2)Cl)/C1=O

STK098360
Synonyms: N,N,N- trimethyl- 4- (5,7,8- trichloro- 6- cyano[1,2,4]triazolo[4,3- a]pyridin- 3- yl)anilinium
Smiles: N#Cc1c(Cl)n2c(nnc2c(c1Cl)Cl)c1ccc(cc1)[N+](C)(C)C

STK098368
Synonyms: 4- {[2,5- dioxo- 1- (4- propoxyphenyl)pyrrolidin- 3- yl](2- phenylethyl)amino}- 4- oxobutanoicacid
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)CCC(=O)O)CCc1ccccc1

STK098389
Synonyms: N- [(E)- (4- bromophenyl)methylidene]- 2- methoxy- 5- nitroaniline
Smiles: COc1ccc(cc1/N=C/c1ccc(cc1)Br)[N+](=O)[O-]

STK098410
Synonyms: 4- {[(E)- (4- bromophenyl)methylidene]amino}- N- (4- ethoxyphenyl)benzenesulfonamide
Smiles: CCOc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)/N=C/c1ccc(cc1)Br

STK098425
Synonyms: N'- [(E)- (3- bromo- 4- methoxyphenyl)methylidene]- 2- (naphthalen- 1- ylamino)acetohydrazide(non- preferredname)
Smiles: COc1ccc(cc1Br)/C=N/NC(=O)CNc1cccc2c1cccc2

STK098445
Synonyms: 4- bromo- 3- chloro- N- [(E)- (2- ethoxyphenyl)methylidene]aniline
Smiles: CCOc1ccccc1/C=N/c1ccc(c(c1)Cl)Br

STK098449
Synonyms: (4E)- 3- (4- nitrophenyl)- 5- oxo- 4- (2- phenylhydrazinylidene)- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: NC(=S)N1N=C(/C(=N\Nc2ccccc2)/C1=O)c1ccc(cc1)[N+](=O)[O-]

STK098460
Synonyms: ethyl1- [3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]piperidine- 3- carboxylate
Smiles: CCOC(=O)C1CCCN(C1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F

STK098477
Synonyms: ethyl1- {3- [(4- methoxyphenyl)amino]- 3- oxopropyl}- 4- phenylpiperidine- 4- carboxylate
Smiles: CCOC(=O)C1(CCN(CC1)CCC(=O)Nc1ccc(cc1)OC)c1ccccc1

STK098480
Synonyms: 2- (4- chloro- 3,5- dimethylphenoxy)- 1- [4- (2- methoxyphenyl)piperazin- 1- yl]ethanone
Smiles: COc1ccccc1N1CCN(CC1)C(=O)COc1cc(C)c(c(c1)C)Cl

STK098515
Synonyms: (2Z)- 2- cyano- 2- [2- (2- fluoro- 5- nitrophenyl)hydrazinylidene]ethanamide
Smiles: N#C/C(=N/Nc1cc(ccc1F)[N+](=O)[O-])/C(=O)N

STK098527
Synonyms: 3- (4- chlorophenyl)- 5- (4- propylcyclohexyl)- 1,2,4- oxadiazole
Smiles: CCCC1CCC(CC1)c1onc(n1)c1ccc(cc1)Cl

STK098535
Synonyms: (2Z)- 2- (2,5- dimethoxybenzylidene)- 5,6- dihydroimidazo[2,1- b][1,3]thiazol- 3(2H)- one
Smiles: COc1ccc(cc1/C=c/1\sc2=NCCn2c1=O)OC

STK098545
Synonyms: 2- (2,6- dichlorophenyl)- 5,6- dimethyl- 2,3- dihydrothieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: Clc1cccc(c1C1NC(=O)c2c(N1)sc(c2C)C)Cl

STK098577
Synonyms: N~2~- acetyl- N- [5- (4- methylphenyl)benzimidazo[2,1- a]phthalazin- 10- yl]- N~2~- phenylglycinamide
Smiles: O=C(CN(c1ccccc1)C(=O)C)Nc1ccc2c(c1)nc1n2nc(c2c1cccc2)c1ccc(cc1)C

STK098619
Synonyms: N- cyclohexyl- N'- [3- (1H- imidazol- 1- yl)propyl]ethanediamide
Smiles: O=C(C(=O)NCCCn1cncc1)NC1CCCCC1

STK098655
Synonyms: 6- amino- 1,3- dimethyl- 5- phenyl- 1H- pyrrolo[3,4- d]pyrimidine- 2,4(3H,6H)- dione
Smiles: Nn1cc2c(c1c1ccccc1)c(=O)n(c(=O)n2C)C

STK098683
Synonyms: 2- methoxy- N'- [(E)- (3- nitrophenyl)methylidene]- 2- phenylacetohydrazide
Smiles: COC(c1ccccc1)C(=O)N/N=C/c1cccc(c1)[N+](=O)[O-]

STK098706
Synonyms: 4- chloro- N- [4- (dipropylsulfamoyl)phenyl]- 2- nitrobenzamide
Smiles: CCCN(S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1[N+](=O)[O-])Cl)CCC

STK098717
Synonyms: 4- bromonaphthalen- 1- yl5- (4- chlorophenyl)furan- 2- carboxylate
Smiles: Clc1ccc(cc1)c1ccc(o1)C(=O)Oc1ccc(c2c1cccc2)Br

STK098771
Synonyms: (3,5- di- tert- butyl- 4- hydroxyphenyl)- N- [(heptyloxy)methyl]- N,N- dimethylmethanaminium
Smiles: CCCCCCCOC[N+](Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C

STK098778
Synonyms: 2- nitro- N- (2- phenyl- 2H- benzotriazol- 5- yl)benzamide
Smiles: [O-][N+](=O)c1ccccc1C(=O)Nc1ccc2c(c1)nn(n2)c1ccccc1

STK098792
Synonyms: 2- (benzylamino)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- b]pyridine- 3- carboxylicacid
Smiles: OC(=O)c1cc2COC(Cc2nc1NCc1ccccc1)(C)C

STK098800
Synonyms: methyl(3- benzyl- 5- {2- [(4- fluorophenyl)amino]- 2- oxoethyl}- 4- oxo- 2- thioxoimidazolidin- 1- yl)acetate
Smiles: COC(=O)CN1C(CC(=O)Nc2ccc(cc2)F)C(=O)N(C1=S)Cc1ccccc1

STK098814
Synonyms: {(2E)- 2- [(2E)- {3- bromo- 4- [(2- chlorobenzyl)oxy]- 5- methoxybenzylidene}hydrazinylidene]- 4- oxo- 1,3- thiazolidin- 5- yl}aceticacid
Smiles: COc1cc(/C=N/N=C\2/SC(C(=O)N2)CC(=O)O)cc(c1OCc1ccccc1Cl)Br

STK098838
Synonyms: (2E)- 3- [4- (heptyloxy)phenyl]prop- 2- enoicacid
Smiles: CCCCCCCOc1ccc(cc1)/C=C/C(=O)O

STK098854
Synonyms: 2- ethyl- 1,3,4,10- tetrahydroacridin- 9(2H)- one
Smiles: CCC1CCc2c(C1)c(=O)c1c([nH]2)cccc1

STK098855
Synonyms: 1- bromo- 2- phenoxybenzene
Smiles: Brc1ccccc1Oc1ccccc1

STK098861
Synonyms: 1- methoxy- N- [3- (trifluoromethyl)benzyl]propan- 2- amine
Smiles: COCC(NCc1cccc(c1)C(F)(F)F)C

STK098863
Synonyms: ethyl1- acetylpiperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)C

STK098874
Synonyms: 2- (diprop- 2- en- 1- ylcarbamoyl)phenylacetate
Smiles: C=CCN(C(=O)c1ccccc1OC(=O)C)CC=C

STK098896
Synonyms: N- (2- hydroxyethyl)- 1- [3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]piperidine- 4- carboxamide
Smiles: OCCNC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-]

STK098928
Synonyms: N- benzyl- N- methyl- 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]piperidine- 4- carboxamide
Smiles: CN(C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)Cc1ccccc1

STK098943
Synonyms: 1H,1'H- 2,2'- bibenzimidazole
Smiles: c1ccc2c(c1)[nH]c(n2)c1nc2c([nH]1)cccc2

STK098971
Synonyms: 4- (4- bromophenyl)- 2- {(2E)- 2- [1- (5- methylfuran- 2- yl)ethylidene]hydrazinyl}- 1,3- thiazole
Smiles: Brc1ccc(cc1)c1csc(n1)N/N=C(/c1ccc(o1)C)\C

STK098974
Synonyms: 1',5,7- trimethyl- 6H- spiro[1,3- diazatricyclo[3.3.1.1~3,7~]decane- 2,4'- piperidin]- 6- one
Smiles: CN1CCC2(CC1)N1CC3(CN2CC(C1)(C3=O)C)C

STK098987
Synonyms: 4- {(E)- [2- (4- amino- 5- ethyl- 4H- 1,2,4- triazol- 3- yl)hydrazinylidene]methyl}- 2,6- dibromobenzene- 1,3- dioldihydrochloride
Smiles: CCc1nnc(n1N)N/N=C/c1cc(Br)c(c(c1O)Br)O.Cl.Cl

STK098990
Synonyms: ethyl(2Z)- 3- [(2- hydroxyethyl)amino]but- 2- enoate
Smiles: OCCN/C(=C\C(=O)OCC)/C

STK099012
Synonyms: 1- (4- chlorobenzyl)- 7- (2- hydroxyethyl)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCn1cnc2c1c(=O)n(Cc1ccc(cc1)Cl)c(=O)n2C

STK099050
Synonyms: 1- (4- bromophenyl)- 2- [(10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]ethanone
Smiles: O=C(c1ccc(cc1)Br)CSc1nnc2n1cnc1c2c2CC(C)(C)OCc2s1

STK099071
Synonyms: N~2~- acridin- 9- yl- N~5~- (N- nitrocarbamimidoyl)- L- ornithine
Smiles: N=C(N[N+](=O)[O-])NCCC[C@@H](C(=O)O)Nc1c2ccccc2nc2c1cccc2

STK099073
Synonyms: 1- amino- 5- methyl- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)C

STK099077
Synonyms: 4'- (nonylamino)biphenyl- 4- carbonitrile
Smiles: CCCCCCCCCNc1ccc(cc1)c1ccc(cc1)C#N

STK099104
Synonyms: N,N- dimethyl- N'- {[6- methyl- 4- (4- methylpent- 3- en- 1- yl)cyclohex- 3- en- 1- yl]methyl}propane- 1,3- diamine
Smiles: CN(CCCNCC1CC=C(CC1C)CCC=C(C)C)C

STK099108
Synonyms: 4- {[2- (1,3- benzothiazol- 2- yl)- 1,3- dioxo- 2,3- dihydro- 1H- isoindol- 5- yl]sulfonyl}benzoicacid
Smiles: O=C1N(c2nc3c(s2)cccc3)C(=O)c2c1cc(cc2)S(=O)(=O)c1ccc(cc1)C(=O)O

STK099131
Synonyms: 1- {5- [(4- cyclohexylphenoxy)methyl]- 1,3,4- thiadiazol- 2- yl}- 3- (4- methoxyphenyl)urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)COc1ccc(cc1)C1CCCCC1

STK099139
Synonyms: 4- {[(E)- (5- bromo- 2- hydroxy- 3- methylphenyl)methylidene]amino}- N- (naphthalen- 1- yl)benzamide
Smiles: Brc1cc(/C=N/c2ccc(cc2)C(=O)Nc2cccc3c2cccc3)c(c(c1)C)O

STK099153
Synonyms: 2- [hydroxy(morpholin- 4- ylmethyl)phosphoryl]- 3- phenylpropanoicacid
Smiles: OC(=O)C(P(=O)(CN1CCOCC1)O)Cc1ccccc1

STK099171
Synonyms: 1- methyl- 8- phenyl- 9- propyl- 3,4,5,9- tetrahydro- 1H- purine- 2,6- dione
Smiles: CCCN1C(=NC2C1NC(=O)N(C2=O)C)c1ccccc1

STK099179
Synonyms: 2- {(2Z)- 2- [5- oxo- 3- phenyl- 1- (4- phenyl- 1,3- thiazol- 2- yl)- 1,5- dihydro- 4H- pyrazol- 4- ylidene]hydrazinyl}benzoicacid
Smiles: O=C1N(N=C(/C/1=N/Nc1ccccc1C(=O)O)c1ccccc1)c1scc(n1)c1ccccc1

STK099191
Synonyms: 5- {3- bromo- 4- [(2,4- dichlorobenzyl)oxy]- 5- methoxybenzylidene}- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCc1ccc(cc1Cl)Cl)Br

STK099194
Synonyms: 1- methylpiperidin- 3- yl1,3- benzodioxole- 5- carboxylate
Smiles: CN1CCCC(C1)OC(=O)c1ccc2c(c1)OCO2

STK099197
Synonyms: (2Z,5Z)- 3- cyclopentyl- 5- ({1- [2- (2,5- dimethylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 2- (phenylimino)- 1,3- thiazolidin- 4- one
Smiles: Cc1ccc(c(c1)OCCn1cc(c2c1cccc2)/C=C/1\S/C(=N\c2ccccc2)/N(C1=O)C1CCCC1)C

STK099199
Synonyms: N- (4- chlorophenyl)- N'- [3- (trifluoromethyl)phenyl]butanediamide
Smiles: O=C(Nc1ccc(cc1)Cl)CCC(=O)Nc1cccc(c1)C(F)(F)F

STK099207
Synonyms: (2E)- 2- {3- methoxy- 4- [2- (2- phenoxyethoxy)ethoxy]benzylidene}hydrazinecarbothioamide
Smiles: COc1cc(/C=N/NC(=S)N)ccc1OCCOCCOc1ccccc1

STK099213
Synonyms: N- benzyl- 1- (2,5- dimethoxybenzyl)- N- ethylpiperidine- 4- carboxamide
Smiles: COc1ccc(c(c1)CN1CCC(CC1)C(=O)N(Cc1ccccc1)CC)OC

STK099214
Synonyms: N- [2- cyano- 1- (4- methoxyphenyl)- 1H- benzo[f]chromen- 3- yl]acetamide
Smiles: N#CC1=C(NC(=O)C)Oc2c(C1c1ccc(cc1)OC)c1ccccc1cc2

STK099215
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- N'- (2- methoxyethyl)butanediamide
Smiles: COCCNC(=O)CCC(=O)NCCC1=CCCCC1

STK099221
Synonyms: methyl3- (methylcarbamoyl)- 5- nitrobenzoate
Smiles: CNC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC

STK099223
Synonyms: 3- (difluoromethoxy)- 6- (4- pentylphenyl)pyridazine
Smiles: CCCCCc1ccc(cc1)c1ccc(nn1)OC(F)F

STK099227
Synonyms: 4- hydroxy- 3- {(2Z)- 2- [{(E)- [2- (methoxycarbonyl)phenyl]diazenyl}(phenyl)methylidene]hydrazinyl}benzenesulfonicacid
Smiles: COC(=O)c1ccccc1/N=N/C(=N\Nc1cc(ccc1O)S(=O)(=O)O)/c1ccccc1

STK099231
Synonyms: 2- amino- 4- (7- methoxy- 1,3- benzodioxol- 5- yl)- 7- methyl- 5- oxo- 4H,5H- pyrano[4,3- b]pyran- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cc(OC)c3c(c1)OCO3)c(=O)oc(c2)C

STK099238
Synonyms: N'- [(E)- naphthalen- 1- ylmethylidene]- 2- phenylquinoline- 4- carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)c1ccccc1)N/N=C/c1cccc2c1cccc2

STK099252
Synonyms: 2- (4- tert- butylphenoxy)- N- {[2- (morpholin- 4- yl)phenyl]carbamothioyl}acetamide
Smiles: O=C(NC(=S)Nc1ccccc1N1CCOCC1)COc1ccc(cc1)C(C)(C)C

STK099263
Synonyms: 2- (diethylamino)ethyl4- {[(4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)carbonyl]amino}benzoate
Smiles: CCN(CCOC(=O)c1ccc(cc1)NC(=O)c1c(=O)[nH]c2c(c1O)cccc2)CC

STK099282
Synonyms: 2- [(2E)- 2- {4- methoxy- 3- [(3- methoxyphenoxy)methyl]benzylidene}hydrazinyl]benzoicacid
Smiles: COc1ccc(cc1COc1cccc(c1)OC)/C=N/Nc1ccccc1C(=O)O

STK099292
Synonyms: (2E)- 3- {1- [2- (4- chloro- 2- methylphenoxy)ethyl]- 1H- indol- 3- yl}- 2- cyano- N- (2- methylphenyl)prop- 2- enamide
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CCOc1ccc(cc1C)Cl)/C(=O)Nc1ccccc1C

STK099305
Synonyms: (5Z)- 5- (3- bromo- 4- hydroxybenzylidene)- 1- phenylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1ccc(c(c1)Br)O)c1ccccc1

STK099340
Synonyms: (6Z)- 6- (1,3- benzodioxol- 5- ylmethylidene)- 5- imino- 2- (trifluoromethyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc2c(c1)OCO2)C(F)(F)F

STK099347
Synonyms: 1,2,3,4,7,8,9,10,13,14,15,16- dodecahydro[1,3,5]triazino[1,2- b:3,4- b':5,6- b'']triindazole
Smiles: C1CCc2c(C1)nn1c2n2nc3c(c2n2c1c1CCCCc1n2)CCCC3

STK099351
Synonyms: N- [bis(3,4- dimethoxyphenyl)methyl]- 2- phenylacetamide
Smiles: COc1cc(ccc1OC)C(c1ccc(c(c1)OC)OC)NC(=O)Cc1ccccc1

STK099366
Synonyms: 4- {[5- (trifluoromethyl)- 1,3,4- thiadiazol- 2- yl]carbamoyl}phenylacetate
Smiles: O=C(c1ccc(cc1)OC(=O)C)Nc1nnc(s1)C(F)(F)F

STK099372
Synonyms: dimethyl(2E,2'E)- 4,4'- (naphthalene- 1,5- diyldiimino)bis(4- oxobut- 2- enoate)
Smiles: COC(=O)/C=C/C(=O)Nc1cccc2c1cccc2NC(=O)/C=C/C(=O)OC

STK099375
Synonyms: 1- [3- (benzyloxy)benzyl]- N- (prop- 2- en- 1- yl)piperidine- 4- carboxamide
Smiles: C=CCNC(=O)C1CCN(CC1)Cc1cccc(c1)OCc1ccccc1

STK099384
Synonyms: 5,5'- [(4- hydroxyphenyl)methanediyl]dipyrimidine- 4,6- diol
Smiles: Oc1ncnc(c1C(c1c(O)ncnc1O)c1ccc(cc1)O)O

STK099385
Synonyms: (5Z)- 3- (3,4- dichlorophenyl)- 5- (2- hydroxy- 3- methoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cccc(c1O)/C=C/1\SC(=S)N(C1=O)c1ccc(c(c1)Cl)Cl

STK099389
Synonyms: 1- [5- (2- fluorobenzyl)- 1,3,4- thiadiazol- 2- yl]- 3- (4- fluorophenyl)urea
Smiles: O=C(Nc1nnc(s1)Cc1ccccc1F)Nc1ccc(cc1)F

STK099432
Synonyms: 4- [5- (hydroxymethyl)- 6,8,9- trimethyl- 3- oxabicyclo[3.3.1]non- 7- en- 2- yl]phenol
Smiles: OCC12COC(C(C2C)C(=CC1C)C)c1ccc(cc1)O

STK099448
Synonyms: 3- methyl- N'- (2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)- 1H- pyrazole- 5- carbohydrazide
Smiles: O=C(c1[nH]nc(c1)C)NN=C1C(=O)NC(=O)NC1=O

STK099495
Synonyms: N- {[4- (2- chloro- 4- nitrophenyl)piperazin- 1- yl]carbonothioyl}- 2- phenoxyacetamide
Smiles: O=C(NC(=S)N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-])COc1ccccc1

STK099511
Synonyms: N- (4- methoxybenzyl)- N'- (octan- 2- yl)butanediamide
Smiles: CCCCCCC(NC(=O)CCC(=O)NCc1ccc(cc1)OC)C

STK099543
Synonyms: 2- (1H- benzotriazol- 1- yl)- N'- [(E)- (2- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc2c1cccc2)N/N=C/c1ccccc1[N+](=O)[O-]

STK099575
Synonyms: ethyl4- {3- [(3,5- dichloro- 4- hydroxyphenyl)amino]- 2,5- dioxopyrrolidin- 1- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)Nc1cc(Cl)c(c(c1)Cl)O

STK099590
Synonyms: [(4- ethyl- 6- oxocyclohex- 1- en- 1- yl)sulfanyl]aceticacid
Smiles: CCC1CC=C(C(=O)C1)SCC(=O)O

STK099604
Synonyms: 2- {[5- (acetylamino)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N- (2,6- dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(s1)NC(=O)C

STK099611
Synonyms: N,N- bis(phosphonomethyl)- beta- alanine
Smiles: OC(=O)CCN(CP(=O)(O)O)CP(=O)(O)O

STK099616
Synonyms: N- (4,6- dimethylpyrimidin- 2- yl)- 2- phenylhydrazinecarboximidamide
Smiles: N=C(Nc1nc(C)cc(n1)C)NNc1ccccc1

STK099663
Synonyms: (2E)- N- (4- ethoxyphenyl)- 2- [(3- methylthiophen- 2- yl)methylidene]hydrazinecarbothioamide
Smiles: CCOc1ccc(cc1)NC(=S)N/N=C/c1sccc1C