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

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STK054736
Synonyms: 1- ethyl- 4- hydroxy- N- (3- hydroxypyridin- 2- yl)- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCn1c(=O)c(C(=O)Nc2ncccc2O)c(c2c1cccc2)O

STK054773
Synonyms: 2- (imidazo[2,1- b][1,3]benzothiazol- 2- yl)- 3H- benzo[f]chromen- 3- one
Smiles: O=c1oc2ccc3c(c2cc1c1cn2c(n1)sc1c2cccc1)cccc3

STK054782
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 1H- pyrazole- 5- carboxylicacid
Smiles: OC(=O)c1[nH]nc(c1)c1ccc2c(c1)OCCO2

STK054786
Synonyms: (6Z)- 6- {3- bromo- 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(Br)cc(cc1OC)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK054797
Synonyms: 3,6,6- trimethyl- 2- (3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl)- 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)n1C)CC(OC3)(C)C

STK054808
Synonyms: 1- {4- [(3- methylpiperidin- 1- yl)carbonyl]piperidin- 1- yl}- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropane- 1,3- dione
Smiles: CC1CCCN(C1)C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1

STK054809
Synonyms: N'- [(2E)- 3- phenylprop- 2- enoyl]pyridine- 2- carbohydrazide
Smiles: O=C(NNC(=O)c1ccccn1)/C=C/c1ccccc1

STK054821
Synonyms: 2- {(2E)- 2- [4- (dimethylamino)benzylidene]hydrazinyl}- 3- methyl- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CN(c1ccc(cc1)/C=N/Nc1nc2sc3c(c2c(=O)n1C)CCC3)C

STK054872
Synonyms: 2- (2,5- dihydroxyphenyl)quinoline- 4- carboxylicacid
Smiles: Oc1ccc(c(c1)c1nc2ccccc2c(c1)C(=O)O)O

STK054874
Synonyms: 2- methyl- 5- [2- (6- methylpyridin- 3- yl)ethyl]- 2,3,4,5- tetrahydro- 1H- pyrido[4,3- b]indole
Smiles: CN1CCc2c(C1)c1ccccc1n2CCc1ccc(nc1)C

STK054879
Synonyms: [5- (benzyloxy)- 1H- indol- 2- yl](pyrrolidin- 1- yl)methanone
Smiles: O=C(c1[nH]c2c(c1)cc(cc2)OCc1ccccc1)N1CCCC1

STK054887
Synonyms: 2- phenyl[1,3]oxazolo[4,5- c]quinolin- 4(5H)- one
Smiles: O=c1[nH]c2ccccc2c2c1nc(o2)c1ccccc1

STK054893
Synonyms: 5'- bromo- 4- methylspiro[1,3- dioxane- 2,3'- indol]- 2'(1'H)- one
Smiles: CC1CCOC2(O1)C(=O)Nc1c2cc(Br)cc1

STK054917
Synonyms: N'- [(3E)- 5- chloro- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- 2- (2- methylphenoxy)acetohydrazide
Smiles: O=C(COc1ccccc1C)N/N=C\1/C(=O)Nc2c1cc(Cl)cc2

STK054919
Synonyms: 1- [5- hydroxy- 5- (pentafluoroethyl)- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl]- 2- phenylethanone
Smiles: O=C(N1N=C(CC1(O)C(C(F)(F)F)(F)F)c1ccccc1)Cc1ccccc1

STK054939
Synonyms: (4Z)- 5- methyl- 2- (4- phenyl- 1,3- thiazol- 2- yl)- 4- [2- (1,3- thiazol- 2- yl)hydrazinylidene]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CC1=NN(C(=O)/C/1=N\Nc1nccs1)c1scc(n1)c1ccccc1

STK054949
Synonyms: 3- hydroxy- 2- (4- phenylbutan- 2- yl)- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- one
Smiles: CC(N1C(O)C2=C(C1=O)CCCC2)CCc1ccccc1

STK054959
Synonyms: 4- chloro- 2- [(2,2- dimethylpropanoyl)amino]benzoicacid
Smiles: O=C(C(C)(C)C)Nc1cc(Cl)ccc1C(=O)O

STK054962
Synonyms: (2E)- 2- [2- (3- methylphenyl)hydrazinylidene]- 3- oxo- 3- phenyl- N- (4- phenyl- 1,3- thiazol- 2- yl)propanamide
Smiles: Cc1cccc(c1)N/N=C(\C(=O)c1ccccc1)/C(=O)Nc1scc(n1)c1ccccc1

STK054967
Synonyms: ethyl4- (2,3- dihydro- 1,4- benzodioxin- 2- yl)- 2- ({[5- (4- methylphenyl)furan- 2- yl]carbonyl}amino)thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(scc1C1COc2c(O1)cccc2)NC(=O)c1ccc(o1)c1ccc(cc1)C

STK054978
Synonyms: (2Z)- 6,8- dichloro- N- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 2- [(4- methoxyphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: COc1ccc(cc1)/N=c/1\oc2c(cc1C(=O)Nc1scc(n1)c1ccc(cc1)Cl)cc(cc2Cl)Cl

STK054984
Synonyms: 5,5- diethyl- 2- {[3- (trifluoromethyl)phenyl]imino}dihydropyrimidine- 4,6(1H,5H)- dione
Smiles: CCC1(CC)C(=O)NC(=Nc2cccc(c2)C(F)(F)F)NC1=O

STK055019
Synonyms: 2- (4- ethylphenyl)- 5- (3- nitrophenyl)- 1,3,4- oxadiazole
Smiles: CCc1ccc(cc1)c1nnc(o1)c1cccc(c1)[N+](=O)[O-]

STK055025
Synonyms: (2Z)- 2- [(4- methylphenyl)imino]- N- (pyridin- 3- yl)- 2H- chromene- 3- carboxamide
Smiles: Cc1ccc(cc1)/N=c/1\oc2ccccc2cc1C(=O)Nc1cccnc1

STK055039
Synonyms: 5- bromo- N- (3,4- dimethylphenyl)furan- 2- carboxamide
Smiles: Brc1ccc(o1)C(=O)Nc1ccc(c(c1)C)C

STK055046
Synonyms: furan- 2- yl[(2R,4S)- 4- hydroxy- 2,6- dimethyl- 3,4- dihydroquinolin- 1(2H)- yl]methanone
Smiles: Cc1ccc2c(c1)[C@@H](O)C[C@H](N2C(=O)c1ccco1)C

STK055052
Synonyms: 2- ({[(3- butoxyphenyl)carbonyl]carbamothioyl}amino)- 3,5- dichlorobenzoicacid
Smiles: CCCCOc1cccc(c1)C(=O)NC(=S)Nc1c(Cl)cc(cc1C(=O)O)Cl

STK055090
Synonyms: 2- amino- 5- oxo- 4- [5- (2,4,6- trichlorophenyl)thiophen- 2- yl]- 5,6,7,8- tetrahydro- 4H- chromene- 3- carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1ccc(s1)c1c(Cl)cc(cc1Cl)Cl)C(=O)CCC2

STK055103
Synonyms: 6- chloro- N- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: Cc1ccc(cc1)c1csc(n1)NC(=O)c1cc2cc(Cl)ccc2oc1=O

STK055105
Synonyms: tert- butyl(2E)- 2- (4- {[(2- chlorophenyl)carbonyl]oxy}benzylidene)hydrazinecarboxylate
Smiles: O=C(OC(C)(C)C)N/N=C/c1ccc(cc1)OC(=O)c1ccccc1Cl

STK055129
Synonyms: (6E)- 2- benzyl- 5- imino- 6- {3- methoxy- 4- [2- (3- methylphenoxy)ethoxy]benzylidene}- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCOc1cccc(c1)C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1

STK055167
Synonyms: (3E)- 5- (4- methylphenyl)- 3- [4- (propan- 2- yl)benzylidene]furan- 2(3H)- one
Smiles: Cc1ccc(cc1)C1=C/C(=C\c2ccc(cc2)C(C)C)/C(=O)O1

STK055168
Synonyms: trimethyl1,3,5- triazinane- 1,3,5- tricarboxylate
Smiles: COC(=O)N1CN(CN(C1)C(=O)OC)C(=O)OC

STK055182
Synonyms:
Smiles: O=C1CC2[C@@]3(C[C@@H]1C(=C)[C@H]3O)C1C3[C@@]42[C@@H](O)CC[C@](C4C1)(CN3)C

STK055186
Synonyms: methyl{4- bromo- 2- [(cyclohexylamino)methyl]phenoxy}acetate
Smiles: COC(=O)COc1ccc(cc1CNC1CCCCC1)Br

STK055192
Synonyms: 3- {4- [(5- methylhexyl)oxy]benzyl}pyrrolidine- 2,5- dione
Smiles: CC(CCCCOc1ccc(cc1)CC1CC(=O)NC1=O)C

STK055196
Synonyms: 5- chloro- N- (2,6- dichloro- 4- nitrophenyl)- 2- hydroxybenzamide
Smiles: Clc1ccc(c(c1)C(=O)Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])O

STK055215
Synonyms: 2- [(1- butyl- 1H- benzimidazol- 2- yl)sulfanyl]- 1- (3- methoxyphenyl)ethanone
Smiles: CCCCn1c(SCC(=O)c2cccc(c2)OC)nc2c1cccc2

STK055224
Synonyms: benzene- 1,3- diylbis(4- ethylbenzoate)
Smiles: CCc1ccc(cc1)C(=O)Oc1cccc(c1)OC(=O)c1ccc(cc1)CC

STK055235
Synonyms: 2- (4- methylphenyl)- 5- (prop- 2- yn- 1- ylsulfonyl)- 1,3,4- oxadiazole
Smiles: C#CCS(=O)(=O)c1nnc(o1)c1ccc(cc1)C

STK055256
Synonyms: methyl1- amino- 5- ethyl- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxylate
Smiles: COC(=O)c1sc2c(c1N)c1CCCCc1c(n2)CC

STK055257
Synonyms: N- (3- cyano- 5- methyl- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)cyclohexanecarboxamide
Smiles: N#Cc1c(NC(=O)C2CCCCC2)sc2c1CC(C)CC2

STK055266
Synonyms: N- {[2- (3- bromo- 4- hydroxyphenyl)- 1,3- benzoxazol- 5- yl]carbamothioyl}- 2- nitrobenzamide
Smiles: S=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)Br)O

STK055295
Synonyms: (5Z)- 3- methyl- 5- {2- [2- (2- phenoxyethoxy)ethoxy]benzylidene}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CN1C(=S)S/C(=C\c2ccccc2OCCOCCOc2ccccc2)/C1=O

STK055298
Synonyms: 6- [(E)- 2- (2- methoxyphenyl)ethenyl]- 1,3- dimethyl- 5- nitropyrimidine- 2,4(1H,3H)- dione
Smiles: COc1ccccc1/C=C/c1n(C)c(=O)n(c(=O)c1[N+](=O)[O-])C

STK055306
Synonyms: N- (3- hydroxypropyl)piperidine- 4- carboxamide
Smiles: OCCCNC(=O)C1CCNCC1

STK055310
Synonyms: 2- (1- acetyl- 3- methyl- 1H- 1,2,4- triazol- 5- yl)phenylacetate
Smiles: CC(=O)Oc1ccccc1c1nc(nn1C(=O)C)C

STK055320
Synonyms: 5- (2- bromophenyl)- 3- (2,6- difluorophenyl)- 1,2,4- oxadiazole
Smiles: Brc1ccccc1c1onc(n1)c1c(F)cccc1F

STK055323
Synonyms: 2- methyl- 3- {5- [(E)- (1- {2- [(4- methylphenyl)amino]- 2- oxoethyl}- 2,5- dioxoimidazolidin- 4- ylidene)methyl]furan- 2- yl}benzoicacid
Smiles: O=C(CN1C(=O)N/C(=C/c2ccc(o2)c2cccc(c2C)C(=O)O)/C1=O)Nc1ccc(cc1)C

STK055328
Synonyms: 7,7- dimethyl- 1- (2- phenylethyl)- 1,2,3,6,7,9- hexahydro- 5H- imidazo[1,2- a]pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 5- one
Smiles: O=c1c2c(sc3c2CC(C)(C)OC3)nc2n1CCN2CCc1ccccc1

STK055346
Synonyms: 5- ethyl- 4- (4- fluorophenyl)- 1,3- thiazol- 2- amine
Smiles: CCc1sc(nc1c1ccc(cc1)F)N

STK055414
Synonyms: naphthalen- 2- yl5- (4- chlorophenyl)furan- 2- carboxylate
Smiles: Clc1ccc(cc1)c1ccc(o1)C(=O)Oc1ccc2c(c1)cccc2

STK055458
Synonyms: 6- hydroxy- 2- {[2- oxo- 2- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethyl]sulfanyl}- 3- (prop- 2- en- 1- yl)pyrimidin- 4(3H)- one
Smiles: C=CCn1c(=O)cc(nc1SCC(=O)C12CC3CC(C2)CC(C1)C3)O

STK055466
Synonyms: 3- (2,5- dioxo- 2,5- dihydro- 1H- pyrrol- 1- yl)benzonitrile
Smiles: N#Cc1cccc(c1)N1C(=O)C=CC1=O

STK055469
Synonyms: 7- tert- butyl- 5,6- dimethyl- 2- phenylpyrazolo[1,5- a]pyrimidine- ethane(1:1)
Smiles: Cc1nc2cc(nn2c(c1C)C(C)(C)C)c1ccccc1.CC

STK055471
Synonyms: ethyl[(4- amino- 6- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc(N)c2c(n1)sc1c2CC(CC1)C

STK055493
Synonyms: (2Z)- 3- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 2- (1,3- thiazol- 2- ylimino)- 2H- chromen- 7- ol
Smiles: Oc1ccc2c(c1)o/c(=N\c1nccs1)/c(c2)c1scc(n1)c1ccc(c(c1)Cl)Cl

STK055502
Synonyms: 4- (2,5- dimethyl- 3- {(E)- [2- (5- nitropyridin- 2- yl)hydrazinylidene]methyl}- 1H- pyrrol- 1- yl)phenol
Smiles: Oc1ccc(cc1)n1c(C)cc(c1C)/C=N/Nc1ccc(cn1)[N+](=O)[O-]

STK055527
Synonyms: 2,5- diiodo- N- (4- phenyl- 1,3- thiazol- 2- yl)benzamide
Smiles: Ic1ccc(c(c1)C(=O)Nc1scc(n1)c1ccccc1)I

STK055530
Synonyms: 2- {[1- (4- methylbenzyl)- 1H- benzimidazol- 2- yl]sulfanyl}- N'- [(1E)- 1- phenylethylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(n1Cc1ccc(cc1)C)cccc2)N/N=C(/c1ccccc1)\C

STK055534
Synonyms: N- (4,4,6- trimethyl- 2- thioxo- 3,4- dihydropyrimidin- 1(2H)- yl)furan- 2- carboxamide
Smiles: S=C1NC(C)(C)C=C(N1NC(=O)c1ccco1)C

STK055539
Synonyms: [5- hydroxy- 3- phenyl- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](2- methylfuran- 3- yl)methanone
Smiles: O=C(N1N=C(CC1(O)C(F)(F)F)c1ccccc1)c1ccoc1C

STK055558
Synonyms: 2- chloro- 4- {[(3- chloro- 4- ethoxyphenyl)carbonyl]amino}benzoicacid
Smiles: CCOc1ccc(cc1Cl)C(=O)Nc1ccc(c(c1)Cl)C(=O)O

STK055619
Synonyms: 5- {4- [(1H- benzimidazol- 2- ylmethyl)amino]phthalazin- 1- yl}- N- (2- hydroxyethyl)- 2- methylbenzenesulfonamide
Smiles: OCCNS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)NCc1nc2c([nH]1)cccc2

STK055643
Synonyms: 4- (methoxycarbonyl)phenyl3,4- dimethoxybenzoate
Smiles: COC(=O)c1ccc(cc1)OC(=O)c1ccc(c(c1)OC)OC

STK055684
Synonyms: ornithyl- N- {4- bromo- 2- [(2- chlorophenyl)carbonyl]phenyl}glycinamide
Smiles: NCCCC(C(=O)NCC(=O)Nc1ccc(cc1C(=O)c1ccccc1Cl)Br)N

STK055699
Synonyms: [4- (dihydroxymethyl)phenyl]boronicacid
Smiles: OB(c1ccc(cc1)C(O)O)O

STK055706
Synonyms: (6Z)- 6- [3- bromo- 5- methoxy- 4- (2- phenoxyethoxy)benzylidene]- 5- imino- 2- propyl- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCCc1sc2=NC(=O)/C(=C\c3cc(Br)c(c(c3)OC)OCCOc3ccccc3)/C(=N)n2n1

STK055735
Synonyms: N- (6- hydroxy- 6- methylheptan- 2- yl)- 1- (4- methoxybenzyl)piperidine- 4- carboxamide
Smiles: COc1ccc(cc1)CN1CCC(CC1)C(=O)NC(CCCC(O)(C)C)C

STK055739
Synonyms: 2- {[2- (diethylamino)ethyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: CCN(CCNC(=O)C1CCCCC1C(=O)O)CC

STK055743
Synonyms: propan- 2- yl3- amino- 6- (pyridin- 3- yl)thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CC(OC(=O)c1sc2c(c1N)ccc(n2)c1cccnc1)C

STK055759
Synonyms: N- {[4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]carbamothioyl}butanamide
Smiles: CCCC(=O)NC(=S)Nc1scc(n1)c1ccc(cc1)Cl

STK055798
Synonyms: 3- benzyl- 5- (2- bromophenyl)- 1,2,4- oxadiazole
Smiles: Brc1ccccc1c1onc(n1)Cc1ccccc1

STK055799
Synonyms: [3- (acetyloxy)- 3- (4- tert- butylphenyl)propyl](chloro)mercury
Smiles: Cl[Hg]CCC(c1ccc(cc1)C(C)(C)C)OC(=O)C

STK055803
Synonyms: N- [ethyl(phenyl)carbamothioyl]propanamide
Smiles: CCN(c1ccccc1)C(=S)NC(=O)CC

STK055819
Synonyms: N- {(2Z)- 3- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 6- methoxy- 2H- chromen- 2- ylidene}- 1,3- thiazol- 2- amine
Smiles: CCc1ccc(cc1)c1csc(n1)c1cc2cc(OC)ccc2o/c/1=N\c1nccs1

STK055833
Synonyms: 5- methyl- 3- [(4- methylquinazolin- 2- yl)amino]- 1H- 2,4- benzodiazepin- 1- one
Smiles: Cc1nc(Nc2nc(=O)c3c(c(n2)C)cccc3)nc2c1cccc2

STK055849
Synonyms: diethyl2- [2,2,7- trimethyl- 1- (phenylacetyl)- 3- thioxo- 2,3- dihydroquinolin- 4(1H)- ylidene]- 1,3- dithiole- 4,5- dicarboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\2/c3ccc(cc3N(C(C2=S)(C)C)C(=O)Cc2ccccc2)C)/S1)C(=O)OCC

STK055855
Synonyms: N- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}pyridine- 3- carboxamide
Smiles: Fc1ccc(cc1)N1CCN(CC1)CNC(=O)c1cccnc1

STK055857
Synonyms: (aminomethyl)(piperidin- 1- ylmethyl)phosphinicacid
Smiles: NCP(=O)(CN1CCCCC1)O

STK055879
Synonyms: 2- bromo- N'- (phenoxyacetyl)benzohydrazide
Smiles: O=C(NNC(=O)c1ccccc1Br)COc1ccccc1

STK055882
Synonyms: N- [3- (tert- butylcarbamoyl)phenyl]- 3- methoxybenzamide
Smiles: COc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)NC(C)(C)C

STK055885
Synonyms: 7- (2- methoxybenzyl)- 1,3- dimethyl- 8- (4- methylpiperidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccccc1Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCC(CC1)C

STK055887
Synonyms: N- tert- butyl- 1- (3- methylbutyl)piperidine- 4- carboxamide
Smiles: CC(CCN1CCC(CC1)C(=O)NC(C)(C)C)C

STK055897
Synonyms: (2Z)- N- ethyl- 4- oxo- 2- (phenylimino)- 3- (3- phenylpropyl)- 1,3- thiazinane- 6- carboxamide
Smiles: CCNC(=O)C1CC(=O)N(/C(=N/c2ccccc2)/S1)CCCc1ccccc1

STK055916
Synonyms: 2- (4- bromo- 3- nitro- 1H- pyrazol- 1- yl)- N- [(1,3- dimethyl- 1H- pyrazol- 4- yl)methyl]- N- methylacetamide
Smiles: O=C(N(Cc1cn(nc1C)C)C)Cn1cc(c(n1)[N+](=O)[O-])Br

STK055933
Synonyms: 1- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)- 3- phenylthiourea
Smiles: N#Cc1c(NC(=S)Nc2ccccc2)sc2c1CCC2

STK055953
Synonyms: 3- amino- N- (4- fluorophenyl)- 6- (pyridin- 3- yl)thieno[2,3- b]pyridine- 2- carboximidamide
Smiles: Fc1ccc(cc1)NC(=N)c1sc2c(c1N)ccc(n2)c1cccnc1

STK055986
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)[nH]c(n1)SCC(=O)c1ccc(cc1)Cl

STK055997
Synonyms: {4- [(tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)amino]phenoxy}aceticacid
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)Nc1ccc(cc1)OCC(=O)O

STK056000
Synonyms: ethyl2- ({[(4- methoxy- 3- nitrophenyl)carbonyl]carbamothioyl}amino)- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1sc(nc1C)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])OC

STK056022
Synonyms: 2- (4- chlorophenyl)- N- {[4- (morpholin- 4- yl)phenyl]carbamothioyl}acetamide
Smiles: O=C(Cc1ccc(cc1)Cl)NC(=S)Nc1ccc(cc1)N1CCOCC1

STK056033
Synonyms: N- {1,3- benzodioxol- 5- yl[1- (2,6- dimethylphenyl)- 1H- tetrazol- 5- yl]methyl}ethanamine
Smiles: CCNC(c1nnnn1c1c(C)cccc1C)c1ccc2c(c1)OCO2

STK056045
Synonyms: 5- bromo- N- [(2- hydroxyethyl)carbamothioyl]pyridine- 3- carboxamide
Smiles: OCCNC(=S)NC(=O)c1cncc(c1)Br

STK056052
Synonyms: 5- [(1,3- benzoxazol- 2- ylsulfanyl)methyl]- N- ethyl- 1,3,4- thiadiazol- 2- amine
Smiles: CCNc1nnc(s1)CSc1nc2c(o1)cccc2

STK056077
Synonyms: 2- amino- 6- {[2- oxo- 2- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethyl]sulfanyl}- 4- (3,4,5- trimethoxyphenyl)pyridine- 3,5- dicarbonitrile
Smiles: N#Cc1c(SCC(=O)C23CC4CC(C3)CC(C2)C4)nc(c(c1c1cc(OC)c(c(c1)OC)OC)C#N)N

STK056084
Synonyms: N- (1- phenylethyl)morpholine- 4- carboxamide
Smiles: CC(c1ccccc1)NC(=O)N1CCOCC1

STK056145
Synonyms: 2- [(4,6- dioxo- 1,4,5,6- tetrahydropyrimidin- 2- yl)sulfanyl]- N- hexadecylacetamide
Smiles: CCCCCCCCCCCCCCCCNC(=O)CSC1=NC(=O)CC(=O)N1

STK056156
Synonyms: sodium{2,2- bis[bis(propan- 2- yloxy)phosphoryl]ethyl}phosphinate
Smiles: [Na]OP(=O)CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C

STK056162
Synonyms: N- [5- (4- bromophenyl)- 1,3,4- thiadiazol- 2- yl]- 2- iodobenzamide
Smiles: Brc1ccc(cc1)c1nnc(s1)NC(=O)c1ccccc1I

STK056201
Synonyms: N- (2,5- dimethoxyphenyl)- 5- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)pentanamide
Smiles: COc1ccc(cc1NC(=O)CCCCN1C(=O)c2c(C1=O)cccc2)OC

STK056208
Synonyms: 1H- indol- 2- ylacetate
Smiles: CC(=O)Oc1cc2c([nH]1)cccc2

STK056214
Synonyms: [2- (4- methoxyphenyl)- 4- (4- phenoxyphenyl)- 1,3- thiazol- 5- yl]aceticacid
Smiles: COc1ccc(cc1)c1sc(c(n1)c1ccc(cc1)Oc1ccccc1)CC(=O)O

STK056218
Synonyms: {(2Z)- 2- [(2- chlorophenyl)imino]- 5- methyl- 1,3- thiazolidin- 3- yl}(4- fluorophenyl)methanone
Smiles: CC1S/C(=N\c2ccccc2Cl)/N(C1)C(=O)c1ccc(cc1)F

STK056223
Synonyms: N- (butylcarbamoyl)- 4- {[(E)- (2- ethoxyphenyl)methylidene]amino}benzenesulfonamide
Smiles: CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)/N=C/c1ccccc1OCC

STK056226
Synonyms: 1- methoxy- 2- phenyl- 1,5,6,7- tetrahydro- 4H- benzimidazol- 4- one
Smiles: COn1c(nc2c1CCCC2=O)c1ccccc1

STK056250
Synonyms: (2E,5Z)- 2,5- bis(1H- indol- 3- ylmethylidene)cyclohexanone
Smiles: O=C1C/C(=C\c2c[nH]c3c2cccc3)/CC/C/1=C\c1c[nH]c2c1cccc2

STK056276
Synonyms: 6- amino- 2- [(1H- benzimidazol- 2- ylmethyl)sulfanyl]pyrimidin- 4(3H)- one
Smiles: Nc1cc(=O)[nH]c(n1)SCc1nc2c([nH]1)cccc2

STK056278
Synonyms: propan- 2- yl3- amino- 6- (thiophen- 2- yl)- 4- (trifluoromethyl)thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CC(OC(=O)c1sc2c(c1N)c(cc(n2)c1cccs1)C(F)(F)F)C

STK056280
Synonyms: methyl(3- {(Z)- [2,4- dioxo- 3- (prop- 2- yn- 1- yl)- 1,3- thiazolidin- 5- ylidene]methyl}- 1H- indol- 1- yl)acetate
Smiles: C#CCN1C(=O)S/C(=C\c2cn(c3c2cccc3)CC(=O)OC)/C1=O

STK056287
Synonyms: 1- (3- methyl- 1H- indol- 2- yl)- 2- phenylethanone
Smiles: O=C(c1[nH]c2c(c1C)cccc2)Cc1ccccc1

STK056341
Synonyms: (4- {(1E)- 2- cyano- 3- [(4- methyl- 2- nitrophenyl)amino]- 3- oxoprop- 1- en- 1- yl}phenoxy)aceticacid
Smiles: N#C/C(=C\c1ccc(cc1)OCC(=O)O)/C(=O)Nc1ccc(cc1[N+](=O)[O-])C

STK056346
Synonyms: (2Z)- 3- [3- chloro- 5- methoxy- 4- (2- phenoxyethoxy)phenyl]- 2- (3,4- dimethoxyphenyl)prop- 2- enenitrile
Smiles: COc1cc(/C=C(/c2ccc(c(c2)OC)OC)\C#N)cc(c1OCCOc1ccccc1)Cl

STK056347
Synonyms: 2- [4- (acetylamino)phenoxy]- N- (5- chloro- 2- methylphenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)COc1ccc(cc1)NC(=O)C

STK056362
Synonyms: 3- (bromoethynyl)benzoicacid
Smiles: BrC#Cc1cccc(c1)C(=O)O

STK056390
Synonyms: (2Z)- N- [4- (4- tert- butylphenyl)- 1,3- thiazol- 2- yl]- 2- [(4- methylphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: Cc1ccc(cc1)/N=c/1\oc2ccccc2cc1C(=O)Nc1scc(n1)c1ccc(cc1)C(C)(C)C

STK056399
Synonyms: (2- bromophenyl)[4- (2- hydroxyethyl)piperazin- 1- yl]methanone
Smiles: OCCN1CCN(CC1)C(=O)c1ccccc1Br

STK056400
Synonyms: 4- [bis(phosphonomethyl)amino]butanoicacid
Smiles: OC(=O)CCCN(CP(=O)(O)O)CP(=O)(O)O

STK056432
Synonyms: 2- (2- cyclopropyl- 2- oxoethoxy)benzonitrile
Smiles: N#Cc1ccccc1OCC(=O)C1CC1

STK056433
Synonyms: 3- [3- (4- bromophenyl)- 1,2,4- oxadiazol- 5- yl]pyridine
Smiles: Brc1ccc(cc1)c1noc(n1)c1cccnc1

STK056449
Synonyms: N- [5- (pyridin- 4- yl)- 1,3,4- thiadiazol- 2- yl]- 1,3- benzodioxole- 5- carboxamide
Smiles: O=C(c1ccc2c(c1)OCO2)Nc1nnc(s1)c1ccncc1

STK056456
Synonyms: N- {2- [(2,2,4- trimethyl- 4- phenyl- 3,4- dihydroquinolin- 1(2H)- yl)carbonyl]phenyl}benzamide
Smiles: O=C(c1ccccc1)Nc1ccccc1C(=O)N1c2ccccc2C(CC1(C)C)(C)c1ccccc1

STK056462
Synonyms: (4E)- 4- [2- (3- hydroxyphenyl)hydrazinylidene]- 2- (4- nitrophenyl)- 5- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Oc1cccc(c1)N/N=C\1/C(=O)N(N=C1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK056477
Synonyms: [3- cyclohexyl- 5- hydroxy- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](4- methylfuran- 3- yl)methanone
Smiles: O=C(c1cocc1C)N1N=C(CC1(O)C(F)(F)F)C1CCCCC1

STK056512
Synonyms: ethyl(2Z)- 2- {[1- (3,4- dichlorobenzyl)- 1H- indol- 3- yl]methylidene}- 7- methyl- 3- oxo- 5- [4- (propan- 2- yl)phenyl]- 2,3,8,8a- tetrahydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)NC2N(C1c1ccc(cc1)C(C)C)C(=O)/C(=C/c1cn(c3c1cccc3)Cc1ccc(c(c1)Cl)Cl)/S2

STK056513
Synonyms: (2E,2'E)- 1,1'- ethane- 1,2- diylbis{2- [(4,5- dibromofuran- 2- yl)methylidene]- 1- methylhydrazine}
Smiles: CN(/N=C/c1oc(c(c1)Br)Br)CCN(/N=C/c1oc(c(c1)Br)Br)C

STK056523
Synonyms: 1- (4- bromophenyl)- N- (2,6- diethylphenyl)- 5- oxopyrrolidine- 3- carboxamide
Smiles: CCc1cccc(c1NC(=O)C1CC(=O)N(C1)c1ccc(cc1)Br)CC

STK056532
Synonyms: 5- bromo- N,N- diethyl- 6- methylimidazo[2,1- b][1,3,4]thiadiazol- 2- amine
Smiles: CCN(c1nn2c(s1)nc(c2Br)C)CC

STK056537
Synonyms: 3- cyclohexyl- 1,5,6,7- tetrahydro- 2H- cyclopenta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: O=c1[nH]c2sc3c(c2c(=O)n1C1CCCCC1)CCC3

STK056538
Synonyms: (6Z)- 6- ({1- [2- (3,5- dimethylphenoxy)ethyl]- 1H- pyrrol- 2- yl}methylidene)- 5- imino- 2- (3- methylphenyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cc(OCCn2cccc2/C=C/2\C(=O)N=c3n(C2=N)nc(s3)c2cccc(c2)C)cc(c1)C

STK056543
Synonyms: (5E)- 3- benzyl- 5- {4- [3- (4- tert- butylphenoxy)propoxy]- 3- chloro- 5- methoxybenzylidene}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cc(/C=C\2/SC(=S)N(C2=O)Cc2ccccc2)cc(c1OCCCOc1ccc(cc1)C(C)(C)C)Cl

STK056557
Synonyms: 2,4,6- trimethyl- N- (1,3- thiazol- 2- yl)benzamide
Smiles: Cc1cc(C)c(c(c1)C)C(=O)Nc1nccs1

STK056558
Synonyms: ethyl5- (2- ethoxy- 3- methoxyphenyl)- 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(C1c1cccc(c1OCC)OC)C(=O)CS2

STK056560
Synonyms: (5s,7s)- 5,7- dimethyl- 2- propyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- ol
Smiles: CCCC1N2C[C@]3(CN1C[C@@](C2)(C3O)C)C

STK056572
Synonyms: propyl2- [(2- chlorophenyl)carbonyl]hydrazinecarboxylate
Smiles: CCCOC(=O)NNC(=O)c1ccccc1Cl

STK056579
Synonyms: [4- (4- bromophenyl)- 2- (2- methoxyphenyl)- 1,3- thiazol- 5- yl]aceticacid
Smiles: COc1ccccc1c1sc(c(n1)c1ccc(cc1)Br)CC(=O)O

STK056589
Synonyms: 12- (6- hydroxy- 1,3- dimethyl- 2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)- 8,10- dimethyl- 8,12- dihydro- 9H- benzo[5,6]chromeno[2,3- d]pyrimidine- 9,11(10H)- dione
Smiles: Cn1c(O)c(C2c3c(ccc4c3cccc4)Oc3c2c(=O)n(c(=O)n3C)C)c(=O)n(c1=O)C

STK056592
Synonyms: 4- (4- bromophenyl)- 2- (2- cyclopentylidenehydrazinyl)- 1,3- thiazole
Smiles: Brc1ccc(cc1)c1csc(n1)NN=C1CCCC1

STK056603
Synonyms: N'- [(E)- {4- [3- (3,4- dimethylphenoxy)propoxy]- 3- methoxyphenyl}methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)C)ccc1OCCCOc1ccc(c(c1)C)C

STK056613
Synonyms: pyridin- 2- yl4- chlorobenzoate
Smiles: Clc1ccc(cc1)C(=O)Oc1ccccn1

STK056624
Synonyms: (2Z)- 5- amino- 2- (2- chlorobenzylidene)- 7- (2- chlorophenyl)- 3- oxo- 2,3- dihydro- 7H- [1,3]thiazolo[3,2- a]pyridine- 6,8- dicarbonitrile
Smiles: N#CC1=C(N)n2c(=C(C1c1ccccc1Cl)C#N)s/c(=C\c1ccccc1Cl)/c2=O

STK056629
Synonyms: 7- (2- chloro- 6- fluorobenzyl)- 8- [(2- hydroxyethyl)amino]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCNc1nc2c(n1Cc1c(F)cccc1Cl)c(=O)n(c(=O)n2C)C

STK056641
Synonyms: 2- (4- chlorophenyl)- 4- [3- (2,6- difluorophenyl)- 1,2,4- oxadiazol- 5- yl]quinoline
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(c1)c1onc(n1)c1c(F)cccc1F

STK056648
Synonyms: 2- methoxy- N- (2- methylquinolin- 5- yl)benzamide
Smiles: COc1ccccc1C(=O)Nc1cccc2c1ccc(n2)C

STK056662
Synonyms: 2- (methylsulfanyl)- 3- (prop- 2- en- 1- yl)quinazolin- 4(3H)- one
Smiles: C=CCn1c(SC)nc2c(c1=O)cccc2

STK056672
Synonyms: 2- {[2- (3,4- dimethoxyphenyl)- 2- oxoethyl]sulfanyl}- 6- ethyl- 3- phenyl- 2,3- dihydrothieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: COc1cc(ccc1OC)C(=O)CSC1Nc2sc(cc2C(=O)N1c1ccccc1)CC

STK056679
Synonyms: methyl[(methylamino)methyl]phosphinicacid
Smiles: CNCP(=O)(O)C

STK056680
Synonyms: 8- bromo- 3,7- dimethyl- 1- (oxiran- 2- ylmethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(Br)nc2c1c(=O)n(CC1CO1)c(=O)n2C

STK056687
Synonyms: 4- [(2- chlorophenyl){1- [3- (trifluoromethyl)phenyl]- 1H- tetrazol- 5- yl}methyl]morpholine
Smiles: Clc1ccccc1C(c1nnnn1c1cccc(c1)C(F)(F)F)N1CCOCC1

STK056722
Synonyms: N- {[2- (3- fluorophenyl)- 1,3- benzoxazol- 5- yl]carbamothioyl}- 2- nitrobenzamide
Smiles: S=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)nc(o2)c1cccc(c1)F

STK056736
Synonyms: N- methyl- 2- [4- ({4- [4- methyl- 3- (piperidin- 1- ylsulfonyl)phenyl]phthalazin- 1- yl}amino)phenoxy]acetamide
Smiles: CNC(=O)COc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCCCC1)C

STK056751
Synonyms: 1- (piperidin- 1- yl)propan- 2- yl3,4,5- trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)OC(CN1CCCCC1)C

STK056752
Synonyms: 7- heptyl- 3- methyl- 8- (pentylsulfanyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCn1c(SCCCCC)nc2c1c(=O)[nH]c(=O)n2C

STK056764
Synonyms: 3,4- dichloro- N- [4- (trifluoromethoxy)phenyl]benzamide
Smiles: O=C(c1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)OC(F)(F)F

STK056779
Synonyms: 1- [3- (propan- 2- yl)- 3,3a,4,5,6,7- hexahydro- 2H- indazol- 2- yl]ethanone
Smiles: CC(C1N(N=C2C1CCCC2)C(=O)C)C

STK056784
Synonyms: 2- methoxy- 3- [(2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]phenyl4- methylbenzenesulfonate
Smiles: COc1c(cccc1OS(=O)(=O)c1ccc(cc1)C)C=C1C(=O)NC(=O)NC1=O

STK056812
Synonyms: 9- (2,6- dimethyl- 2,5- dihydropyridazin- 4- yl)- 3,3,6,6- tetramethyl- 10- (4- methylphenyl)decahydroacridine- 1,8(2H,5H)- dione
Smiles: O=C1CC(C)(C)CC2C1C(C1=CN(N=C(C1)C)C)C1C(=O)CC(CC1N2c1ccc(cc1)C)(C)C

STK056860
Synonyms: N- (3- methoxyphenyl)- 2- {[(3- nitrophenyl)carbonyl]amino}benzamide
Smiles: COc1cccc(c1)NC(=O)c1ccccc1NC(=O)c1cccc(c1)[N+](=O)[O-]

STK056909
Synonyms: 2- (4- chlorophenyl)- N- {[4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]carbamothioyl}acetamide
Smiles: COc1cc(ccc1OC)c1csc(n1)NC(=S)NC(=O)Cc1ccc(cc1)Cl

STK056972
Synonyms: 2- {[6- tert- butyl- 3- cyano- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- (3- fluorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2cccc(c2)F)nc2c(c1c1cccs1)CC(CC2)C(C)(C)C

STK056978
Synonyms: (6Z)- 6- {4- [(2,4- dichlorobenzyl)oxy]- 5- methoxy- 2- nitrobenzylidene}- 5- imino- 2- methyl- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(/C=C/2\C(=O)N=c3n(C2=N)nc(s3)C)c(cc1OCc1ccc(cc1Cl)Cl)[N+](=O)[O-]

STK057014
Synonyms: 2- (1H- pyrrol- 2- yl)pyridine
Smiles: c1ccc(nc1)c1ccc[nH]1

STK057022
Synonyms: 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]- N- (pyridin- 3- ylmethyl)piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)NCc1cccnc1

STK057031
Synonyms: 1- (morpholin- 4- yl)propan- 2- yl1,3- benzodioxole- 5- carboxylate
Smiles: CC(OC(=O)c1ccc2c(c1)OCO2)CN1CCOCC1

STK057042
Synonyms: 3- bromo- N- [3- chloro- 4- (morpholin- 4- yl)phenyl]- 4- methoxybenzamide
Smiles: COc1ccc(cc1Br)C(=O)Nc1ccc(c(c1)Cl)N1CCOCC1

STK057043
Synonyms: N- benzyl- 3- (4- fluorophenyl)- N- (2- hydroxyethyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: OCCN(C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F)Cc1ccccc1

STK057055
Synonyms: 5- ethoxy- 5- (hex- 1- yn- 1- yl)- 2,2,3- trimethylbicyclo[2.2.1]heptane
Smiles: CCCCC#CC1(OCC)CC2CC1C(C2(C)C)C

STK057074
Synonyms: 2- {(2E)- 2- [1- (4- methoxyphenyl)ethylidene]hydrazinyl}- 4,5- dimethyl- 1,3- thiazole
Smiles: COc1ccc(cc1)/C(=N/Nc1sc(c(n1)C)C)/C

STK057084
Synonyms: N- tert- butyl- 4- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (4- methoxybenzyl)butanamide
Smiles: COc1ccc(cc1)CN(C(C)(C)C)C(=O)CCCN1C(=O)c2c(C1=O)cccc2

STK057100
Synonyms: 1H- benzimidazol- 1- yl(2- chlorophenyl)methanone
Smiles: Clc1ccccc1C(=O)n1cnc2c1cccc2

STK057121
Synonyms: N- [2- (diethylamino)ethyl]- N'- (4- fluorobenzyl)butanediamide
Smiles: CCN(CCNC(=O)CCC(=O)NCc1ccc(cc1)F)CC

STK057124
Synonyms: methyl4- [10- acetyl- 1- hydroxy- 3- (4- methylphenyl)- 3,4,10,11- tetrahydro- 2H- dibenzo[b,e][1,4]diazepin- 11- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C)cccc2)c1ccc(cc1)C

STK057127
Synonyms: 5- bromo- 2- chloro- N- (pyridin- 2- ylcarbamothioyl)benzamide
Smiles: S=C(NC(=O)c1cc(Br)ccc1Cl)Nc1ccccn1

STK057129
Synonyms: dipotassium2- [({4- [(1E)- 3,3- diethyltriaz- 1- en- 1- yl]phenyl}sulfonyl)azanidyl]- 3- phenylpropanoate
Smiles: CCN(/N=N/c1ccc(cc1)S(=O)(=O)[N-]C(C(=O)[O-])Cc1ccccc1)CC.[K+].[K+]

STK057131
Synonyms: 1- (2- hydroxy- 3- methoxybenzyl)- N- (tetrahydrofuran- 2- ylmethyl)piperidine- 4- carboxamide
Smiles: COc1cccc(c1O)CN1CCC(CC1)C(=O)NCC1CCCO1

STK057138
Synonyms: 4- ethyl- 2,6- dimethylpyridine- 3,5- dicarboxylicacid
Smiles: CCc1c(C(=O)O)c(C)nc(c1C(=O)O)C

STK057139
Synonyms: 3- (2- chlorophenyl)- N- (4,5- dihydro- 1,3- thiazol- 2- yl)- 5- methyl- 1,2- oxazole- 4- carboxamide
Smiles: O=C(c1c(C)onc1c1ccccc1Cl)NC1=NCCS1

STK057158
Synonyms: (2Z)- 2- (3H- indol- 3- ylidene)- 1- methyl- 1,2- dihydroquinoline
Smiles: Cn1/c(=C/2\C=Nc3c2cccc3)/ccc2c1cccc2

STK057168
Synonyms: 2- (4'- octylbiphenyl- 4- yl)- 7H- benzo[e]perimidin- 7- one
Smiles: CCCCCCCCc1ccc(cc1)c1ccc(cc1)c1nc2cccc3c2c(n1)c1ccccc1C3=O

STK057178
Synonyms: 4- chloro- 2- [(3- chlorophenyl)carbamoyl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1C(=O)Nc1cccc(c1)Cl)Cl

STK057195
Synonyms: 2- methyl- 9- (trifluoromethyl)- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazoline
Smiles: Cc1cc2n(n1)c(c1c(n2)CCCC1)C(F)(F)F

STK057202
Synonyms: 2- [benzyl(methyl)amino]ethyl2- fluorobenzoate
Smiles: CN(Cc1ccccc1)CCOC(=O)c1ccccc1F

STK057226
Synonyms: 2- methoxy- N- {1- [(2- methoxyphenyl)carbonyl]- 2- methyl- 1,2,3,4- tetrahydroquinolin- 4- yl}- N- phenylbenzamide
Smiles: COc1ccccc1C(=O)N1C(C)CC(c2c1cccc2)N(C(=O)c1ccccc1OC)c1ccccc1

STK057246
Synonyms: (3Z,3'Z)- 3,3'- [ethane- 1,2- diylbis(4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl- 5- ylidene)]bis(1,3- dihydro- 2H- indol- 2- one)
Smiles: S=C1S/C(=C/2\C(=O)Nc3c2cccc3)/C(=O)N1CCN1C(=S)S/C(=C/2\C(=O)Nc3c2cccc3)/C1=O

STK057267
Synonyms: 1- (4- hydroxy- 3,5- dimethoxybenzyl)piperidine- 4- carboxylicacid
Smiles: COc1cc(CN2CCC(CC2)C(=O)O)cc(c1O)OC

STK057278
Synonyms: (9R)- 9- (4- hydroxy- 3,5- dimethoxyphenyl)- 8- oxo- 5,5a,6,8,8a,9- hexahydrofuro[3',4':6,7]naphtho[2,3- d][1,3]dioxol- 5- yl4,6- O- [(1S)- ethylidene]- beta- D- allopyranoside
Smiles: COc1cc(cc(c1O)OC)[C@H]1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@@H](O[C@H]2[C@H]([C@H]1O)O)C

STK057288
Synonyms: 6- amino- 4- (3,4- dimethoxyphenyl)- 3- ethyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)OC)OC)c(CC)n[nH]2

STK057290
Synonyms: N- [(Z)- [(6- ethoxy- 4- methylquinazolin- 2- yl)amino](propanoylamino)methylidene]propanamide
Smiles: CCOc1ccc2c(c1)c(C)nc(n2)N/C(=N/C(=O)CC)/NC(=O)CC

STK057308
Synonyms: 2- bromo- N- {(4E)- 4- [4- (dimethylamino)benzylidene]- 5- oxo- 2- phenyl- 4,5- dihydro- 1H- imidazol- 1- yl}benzamide
Smiles: CN(c1ccc(cc1)/C=C\1/N=C(N(C1=O)NC(=O)c1ccccc1Br)c1ccccc1)C

STK057355
Synonyms: methyl3- ({2- [2- (4- chlorophenyl)ethyl]- 3- oxo- 2,3- dihydro- 1H- isoindol- 1- yl}amino)- 3- [4- (methylsulfanyl)phenyl]propanoate
Smiles: COC(=O)CC(c1ccc(cc1)SC)NC1c2ccccc2C(=O)N1CCc1ccc(cc1)Cl

STK057361
Synonyms: 2,2'- (biphenyl- 2,2'- diyldicarbamoyl)dibenzoicacid
Smiles: O=C(c1ccccc1C(=O)O)Nc1ccccc1c1ccccc1NC(=O)c1ccccc1C(=O)O

STK057364
Synonyms: 2- chloro- N- {[4- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 6- methyl- 1,3,5- triazin- 2- yl]carbamoyl}benzenesulfonamide
Smiles: Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(n1)n1nc(cc1C)C

STK057389
Synonyms: N,N- dibenzyl- 1- (2,4- dichlorophenyl)- 1- [1- (2,6- dimethylphenyl)- 1H- tetrazol- 5- yl]methanamine
Smiles: Clc1ccc(c(c1)Cl)C(c1nnnn1c1c(C)cccc1C)N(Cc1ccccc1)Cc1ccccc1

STK057403
Synonyms: 2- {[5- (acetylamino)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nnc(s1)NC(=O)C

STK057477
Synonyms: N~2~- [3,4- dimethyl- 5- oxo- 1- (2- phenylethyl)- 2,5- dihydro- 1H- pyrrol- 2- yl]glycinamide
Smiles: NC(=O)CNC1C(=C(C(=O)N1CCc1ccccc1)C)C

STK057505
Synonyms: 1- methylpiperidin- 3- yl2,3- dihydro- 1,4- benzodioxine- 6- carboxylate
Smiles: CN1CCCC(C1)OC(=O)c1ccc2c(c1)OCCO2

STK057508
Synonyms: methyl(2E)- 4- ({4- [(5- ethyl- 1,3,4- thiadiazol- 2- yl)sulfamoyl]phenyl}amino)- 4- oxobut- 2- enoate
Smiles: COC(=O)/C=C/C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)CC

STK057581
Synonyms: 4- {[(2E)- 2- cyano- 3- (2,3- dimethoxyphenyl)prop- 2- enoyl]amino}benzoicacid
Smiles: N#C/C(=C\c1cccc(c1OC)OC)/C(=O)Nc1ccc(cc1)C(=O)O

STK057589
Synonyms: 2- (4- fluorophenyl)- 1- (10H- phenothiazin- 10- yl)ethanone
Smiles: Fc1ccc(cc1)CC(=O)N1c2ccccc2Sc2c1cccc2

STK057599
Synonyms: 2- (iodoethynyl)- 1,7,7- trimethylbicyclo[2.2.1]heptan- 2- ol
Smiles: IC#CC1(O)CC2C(C1(C)CC2)(C)C

STK057612
Synonyms: 4- {[(E)- (4- hydroxyphenyl)methylidene]amino}- N- (2,4,6- trimethylphenyl)benzenesulfonamide
Smiles: Oc1ccc(cc1)/C=N/c1ccc(cc1)S(=O)(=O)Nc1c(C)cc(cc1C)C

STK057620
Synonyms: (5E)- 5- (2- hydroxy- 3- nitrobenzylidene)- 2- thioxoimidazolidin- 4- one
Smiles: [O-][N+](=O)c1cccc(c1O)/C=C\1/NC(=S)NC1=O

STK057652
Synonyms: N- (4- methoxy- 2- nitrophenyl)pyridine- 3- carboxamide
Smiles: COc1ccc(c(c1)[N+](=O)[O-])NC(=O)c1cccnc1

STK057680
Synonyms: 6- amino- 4- {3- ethoxy- 4- [(2- methylbenzyl)oxy]phenyl}- 3- methyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: CCOc1cc(ccc1OCc1ccccc1C)C1C(=C(N)Oc2c1c(C)n[nH]2)C#N

STK057694
Synonyms: N~4~,N~6~- di(butan- 2- yl)- N~2~,N~2~- dimethyl- 1,3,5- triazine- 2,4,6- triamine
Smiles: CCC(Nc1nc(NC(CC)C)nc(n1)N(C)C)C

STK057705
Synonyms: N- methylmethanaminium(2E)- 1,1,5,5- tetracyanopenta- 2,4- dien- 1- ide
Smiles: N#C[C-](/C=C/C=C(C#N)C#N)C#N.C[NH2+]C

STK057717
Synonyms: (4Z)- 2- (1,3- benzothiazol- 2- yl)- 5- {[(4- chlorophenyl)sulfanyl]methyl}- 4- (2,3- dimethoxybenzylidene)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1c(cccc1OC)/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl

STK057725
Synonyms: 2- (4- chlorophenyl)- 5- cyclododecyl- 1,2,4- triazolidine- 3- thione
Smiles: Clc1ccc(cc1)N1NC(NC1=S)C1CCCCCCCCCCC1

STK057731
Synonyms: 3- ethyl- 2,1- benzoxazole
Smiles: CCc1onc2c1cccc2

STK057750
Synonyms: N- (cyclopropylmethyl)- 1- [3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]- N- propylpiperidine- 4- carboxamide
Smiles: CCCN(C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F)CC1CC1

STK057754
Synonyms: N'- [(E)- (2- chlorophenyl)methylidene]- 3- (4- methylphenyl)- 1H- pyrazole- 5- carbohydrazide
Smiles: Cc1ccc(cc1)c1n[nH]c(c1)C(=O)N/N=C/c1ccccc1Cl

STK057775
Synonyms: N- {2,5- dimethoxy- 4- [(phenylcarbonyl)amino]phenyl}- N'- (pyridin- 3- yl)butanediamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)CCC(=O)Nc1cccnc1)OC

STK057778
Synonyms: N- [2- cyano- 1- (4- methoxyphenyl)- 1H- benzo[f]chromen- 3- yl]benzamide
Smiles: N#CC1=C(Oc2c(C1c1ccc(cc1)OC)c1ccccc1cc2)NC(=O)c1ccccc1

STK057780
Synonyms: 1H- benzimidazol- 1- yl(2,4- dichlorophenyl)methanone
Smiles: Clc1ccc(c(c1)Cl)C(=O)n1cnc2c1cccc2

STK057781
Synonyms: 4- {2- [(2- ethoxyphenyl)amino]- 1,3- thiazol- 4- yl}benzene- 1,2- diol
Smiles: CCOc1ccccc1Nc1scc(n1)c1ccc(c(c1)O)O

STK057798
Synonyms: 2- (furan- 2- yl)- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: OC1=NC(Nc2c1c1CCCCc1s2)c1ccco1

STK057812
Synonyms: 3- [(1- methyl- 1H- pyrazolo[3,4- d]pyrimidin- 4- yl)amino]benzoicacid
Smiles: OC(=O)c1cccc(c1)Nc1ncnc2c1cnn2C

STK057867
Synonyms: N,N'- biphenyl- 4,4'- diyldicyclopropanecarboxamide
Smiles: O=C(C1CC1)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C1CC1

STK057871
Synonyms: 1- (4''- bromo- 1,1':4',1''- terphenyl- 4- yl)hexan- 1- one
Smiles: CCCCCC(=O)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)Br

STK057883
Synonyms: 2- (1,3- benzothiazol- 2- ylamino)- 6- phenylpyrimidine- 4- carboxylicacid
Smiles: OC(=O)c1nc(Nc2nc3c(s2)cccc3)nc(c1)c1ccccc1

STK057888
Synonyms: (4- hydroxy- 6- methyl- 5- phenoxypyrimidin- 2- yl)cyanamide
Smiles: N#CNc1nc(C)c(c(n1)O)Oc1ccccc1

STK057909
Synonyms: N- [3- (diethylamino)propyl]- 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: CCN(CCCNC(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])CC

STK057910
Synonyms: 4- bromo- N- (4'- chlorobiphenyl- 4- yl)benzamide
Smiles: Clc1ccc(cc1)c1ccc(cc1)NC(=O)c1ccc(cc1)Br

STK057913
Synonyms: (3E)- 2- acetyl- 3- [(4- acetylphenyl)imino]- 6- nitro- 2,3- dihydro- 1H- inden- 1- one
Smiles: CC(=O)c1ccc(cc1)/N=C/1\C(C(=O)C)C(=O)c2c1ccc(c2)[N+](=O)[O-]

STK057930
Synonyms: 2- [(4- aminophenyl)sulfanyl]- 1- (3- nitrophenyl)ethanone
Smiles: Nc1ccc(cc1)SCC(=O)c1cccc(c1)[N+](=O)[O-]

STK057933
Synonyms: 2- [1- (3- methylphenyl)- 1H- tetrazol- 5- yl]butan- 2- amine
Smiles: CCC(c1nnnn1c1cccc(c1)C)(N)C

STK057941
Synonyms:
Smiles: CCOc1cc(ccc1O)/C=N/n1c[nH]nc1

STK057942
Synonyms: 5- (3,4- dimethoxyphenyl)- 3- [3- (trifluoromethyl)phenyl]- 1,2,4- oxadiazole
Smiles: COc1cc(ccc1OC)c1onc(n1)c1cccc(c1)C(F)(F)F

STK057956
Synonyms: (5E)- 1- (3- chlorophenyl)- 5- (4- fluorobenzylidene)- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: Fc1ccc(cc1)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)Cl

STK057964
Synonyms: 3- ethoxy- N- (6- methylpyridin- 2- yl)benzamide
Smiles: CCOc1cccc(c1)C(=O)Nc1cccc(n1)C

STK057979
Synonyms: 7- methyl- 3- phenyl- 2- thioxo- 2,3,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(=S)[nH]1)c1ccccc1

STK058011
Synonyms: N- (3,4- dimethylphenyl)- 5- {[(4- methylphenyl)carbonyl]amino}- 1- phenyl- 1H- pyrazole- 4- carboxamide
Smiles: Cc1ccc(cc1)C(=O)Nc1c(cnn1c1ccccc1)C(=O)Nc1ccc(c(c1)C)C

STK058015
Synonyms: 5- bromo- 2- chloro- N- (4,6- dimethylpyrimidin- 2- yl)benzamide
Smiles: Brc1ccc(c(c1)C(=O)Nc1nc(C)cc(n1)C)Cl

STK058017
Synonyms: 3- (4- chlorophenyl)- 3- [(4- ethylphenyl)amino]- 1- (4- methylphenyl)propan- 1- one
Smiles: CCc1ccc(cc1)NC(c1ccc(cc1)Cl)CC(=O)c1ccc(cc1)C

STK058033
Synonyms: 3- ({[(2- methoxyphenyl)carbonyl]carbamothioyl}amino)- 2- methylbenzoicacid
Smiles: COc1ccccc1C(=O)NC(=S)Nc1cccc(c1C)C(=O)O

STK058036
Synonyms: 2- amino- 6- ethyl- 7- methyl- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)N

STK058043
Synonyms: (4- {(Z)- [(2Z)- 3- benzyl- 4- oxo- 2- (phenylimino)- 1,3- thiazolidin- 5- ylidene]methyl}phenoxy)aceticacid
Smiles: OC(=O)COc1ccc(cc1)/C=C/1\S/C(=N\c2ccccc2)/N(C1=O)Cc1ccccc1

STK058062
Synonyms: 2- (2,5- dioxo- 1- phenylpyrrolidin- 3- yl)hydrazinecarboxamide
Smiles: NC(=O)NNC1CC(=O)N(C1=O)c1ccccc1

STK058090
Synonyms: 2- [(4- hydroxy- 6- phenylpyrimidin- 2- yl)sulfanyl]- 1- (6- methoxy- 2,2,4- trimethylquinolin- 1(2H)- yl)ethanone
Smiles: COc1ccc2c(c1)C(=CC(N2C(=O)CSc1nc(O)cc(n1)c1ccccc1)(C)C)C

STK058125
Synonyms: N- {[3- (butanoylamino)phenyl]carbamothioyl}- 2- fluorobenzamide
Smiles: CCCC(=O)Nc1cccc(c1)NC(=S)NC(=O)c1ccccc1F

STK058136
Synonyms: N'- [(4- phenylcyclohexyl)carbonyl]biphenyl- 4- carbohydrazide
Smiles: O=C(C1CCC(CC1)c1ccccc1)NNC(=O)c1ccc(cc1)c1ccccc1

STK058166
Synonyms: [5- (benzyloxy)- 2- methyl- 1- benzofuran- 3- yl]methanol
Smiles: OCc1c(C)oc2c1cc(OCc1ccccc1)cc2

STK058180
Synonyms: [4- amino- 2- (ethylamino)- 1,3- thiazol- 5- yl](tricyclo[3.3.1.1~3,7~]dec- 1- yl)methanone
Smiles: CCNc1sc(c(n1)N)C(=O)C12CC3CC(C2)CC(C1)C3

STK058182
Synonyms: (5Z)- 2H- [1,3,5,6]thiatriazocino[3,2- a]benzimidazol- 3(4H)- one
Smiles: O=C1NN=Cn2c(SC1)nc1c2cccc1

STK058215
Synonyms: 5- acetyl- 2- amino- 4- methylthiophene- 3- carboxamide
Smiles: CC(=O)c1sc(c(c1C)C(=O)N)N

STK058220
Synonyms: 6- (1,3- benzoxazol- 2- ylsulfanyl)- N,N'- bis(4- chlorophenyl)- 1,3,5- triazine- 2,4- diamine
Smiles: Clc1ccc(cc1)Nc1nc(Nc2ccc(cc2)Cl)nc(n1)Sc1nc2c(o1)cccc2

STK058226
Synonyms: 1- {N- methyl- N- [(4- methylphenyl)sulfonyl]glycyl}piperidine- 4- carboxamide
Smiles: CN(S(=O)(=O)c1ccc(cc1)C)CC(=O)N1CCC(CC1)C(=O)N

STK058229
Synonyms: ethyl[(3- benzyl- 6- methyl- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(CC3)C

STK058233
Synonyms: (5Z)- 5- (2- methoxybenzylidene)imidazolidine- 2,4- dione
Smiles: COc1ccccc1/C=C/1\NC(=O)NC1=O

STK058236
Synonyms: 5- [(1H- benzimidazol- 2- ylsulfanyl)acetyl]- 5- methyl- 3- (2- methylpropyl)dihydrofuran- 2(3H)- one(non- preferredname)
Smiles: CC(CC1CC(OC1=O)(C)C(=O)CSc1nc2c([nH]1)cccc2)C

STK058239
Synonyms: 6- hydroxy- 2- [(pentafluorobenzyl)sulfanyl]pyrimidin- 4(3H)- one
Smiles: Oc1cc(=O)[nH]c(n1)SCc1c(F)c(F)c(c(c1F)F)F

STK058245
Synonyms: 1- [3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]- N- (2- phenylethyl)piperidine- 4- carboxamide
Smiles: Fc1ccc(cc1)C(=O)C(n1ccccc1=O)C(=O)N1CCC(CC1)C(=O)NCCc1ccccc1

STK058305
Synonyms: 7- benzyl- 4- [(2E)- 2- (4- fluorobenzylidene)hydrazinyl]- 2- (methylsulfanyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CSc1nc(N/N=C/c2ccc(cc2)F)c2c(n1)sc1c2CCN(C1)Cc1ccccc1

STK058330
Synonyms: (6Z)- 6- {4- [2- (4- bromophenoxy)ethoxy]- 3- ethoxy- 5- iodobenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(cc1)Br)I)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK058342
Synonyms: 1- (2- {[4,6- bis(diethylamino)- 1,3,5- triazin- 2- yl]oxy}ethyl)- 3- phenylurea
Smiles: CCN(c1nc(OCCNC(=O)Nc2ccccc2)nc(n1)N(CC)CC)CC

STK058345
Synonyms: (4E)- 4- {2- [2- (3,4- dimethylphenoxy)ethoxy]- 5- methylbenzylidene}- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1ccc(c(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)OCCOc1ccc(c(c1)C)C

STK058369
Synonyms: 1- [2- (1,3- benzodioxol- 5- yl)ethyl]- 3- (3- methoxybenzyl)pyrrolidine- 2,5- dione
Smiles: COc1cccc(c1)CC1CC(=O)N(C1=O)CCc1ccc2c(c1)OCO2

STK058403
Synonyms: 1- (naphthalen- 1- ylmethyl)azepane
Smiles: C1CCCN(CC1)Cc1cccc2c1cccc2

STK058418
Synonyms: 2- [(diprop- 2- en- 1- ylamino)methyl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)CN(CC=C)CC=C

STK058426
Synonyms: 2- [(4- methylquinazolin- 2- yl)amino]pyrimidine- 4,6- diol
Smiles: Oc1cc(O)nc(n1)Nc1nc(C)c2c(n1)cccc2

STK058433
Synonyms: N- [3- (diethylamino)propyl]- 4- (furan- 2- yl)benzamide
Smiles: CCN(CCCNC(=O)c1ccc(cc1)c1ccco1)CC

STK058435
Synonyms: 4- bromo- 2- [(E)- {2- [(naphthalen- 1- ylamino)acetyl]hydrazinylidene}methyl]phenyl4- bromobenzoate(non- preferredname)
Smiles: O=C(CNc1cccc2c1cccc2)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(cc1)Br

STK058440
Synonyms: methyl{2- chloro- 6- ethoxy- 4- [(E)- (1- methyl- 4,6- dioxo- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]phenoxy}acetate
Smiles: CCOc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)C)cc(c1OCC(=O)OC)Cl

STK058443
Synonyms: {4- [(E)- (biphenyl- 2- ylimino)methyl]- 5- hydroxy- 6- methylpyridin- 3- yl}methyldihydrogenphosphate
Smiles: Cc1ncc(c(c1O)/C=N/c1ccccc1c1ccccc1)COP(=O)(O)O

STK058444
Synonyms: 2- [5- (2- fluorophenyl)furan- 2- yl]- 7- methyl- 1,2,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4- ol
Smiles: CN1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(o1)c1ccccc1F)O

STK058453
Synonyms: ethyl[4- bromo- 3- (morpholin- 4- ylmethyl)phenyl]acetate
Smiles: CCOC(=O)Cc1ccc(c(c1)CN1CCOCC1)Br

STK058464
Synonyms: 2- amino- 4- (2,6- dichlorophenyl)- 5,7- dihydroxy- 4H- chromene- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1c(Cl)cccc1Cl)c(O)cc(c2)O

STK058469
Synonyms: 4- {[(E)- (2,4- dihydroxyphenyl)methylidene]amino}benzonitrile
Smiles: N#Cc1ccc(cc1)/N=C/c1ccc(cc1O)O

STK058470
Synonyms: 2- (3- amino- 2- imino- 2,3- dihydro- 1H- benzimidazol- 1- yl)- 1- (4- bromophenyl)ethanone
Smiles: Brc1ccc(cc1)C(=O)Cn1c(=N)n(c2c1cccc2)N

STK058476
Synonyms: 2,6- dimethoxy- N- (3- methylphenyl)benzamide
Smiles: COc1cccc(c1C(=O)Nc1cccc(c1)C)OC

STK058504
Synonyms: (6Z)- 6- {3- bromo- 4- [2- (4- chloro- 3- methylphenoxy)ethoxy]- 5- methoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCOc1ccc(c(c1)C)Cl)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK058520
Synonyms: N- (4- nitrophenyl)- N'- (1- phenylethyl)butanediamide
Smiles: CC(c1ccccc1)NC(=O)CCC(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK058552
Synonyms: 4- methyl- 2- (3- oxo- 3H- benzo[f]chromen- 2- yl)- 5H- benzo[5,6]chromeno[3,4- c]pyridin- 5- one
Smiles: O=c1oc2ccc3c(c2cc1c1nc(C)c2c(c1)c1c(oc2=O)ccc2c1cccc2)cccc3

STK058578
Synonyms: N- tert- butyl- 4- methoxy- N- (4- methylbenzyl)benzamide
Smiles: COc1ccc(cc1)C(=O)N(C(C)(C)C)Cc1ccc(cc1)C

STK058608
Synonyms: (6Z)- 6- (5- bromo- 2- hydroxybenzylidene)- 5- imino- 2- (phenoxymethyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Brc1ccc(c(c1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1)O

STK058641
Synonyms: sodium3- ethynylbenzoate
Smiles: [Na]OC(=O)c1cccc(c1)C#C

STK058652
Synonyms: (4E)- 5- (4- nitrophenyl)- 2- phenyl- 4- (2- phenylhydrazinylidene)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: O=C1N(N=C(/C/1=N\Nc1ccccc1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK058689
Synonyms: ({2- [(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]propanoyl}amino)(phenyl)aceticacid
Smiles: O=C(C(Oc1ccc2c(c1)oc(=O)cc2C)C)NC(c1ccccc1)C(=O)O

STK058698
Synonyms: 2- (2,4- dichlorophenoxy)- N- methyl- N- phenylacetamide
Smiles: Clc1ccc(c(c1)Cl)OCC(=O)N(c1ccccc1)C

STK058711
Synonyms: (2E)- 2- (3,5- dichloro- 4- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethoxy}benzylidene)hydrazinecarboxamide
Smiles: C=CCc1ccccc1OCCOc1c(Cl)cc(cc1Cl)/C=N/NC(=O)N

STK058724
Synonyms: 3- [4- (4- propylcyclohexyl)phenyl]- 1,2,4- oxadiazol- 5- ylbenzoate
Smiles: CCCC1CCC(CC1)c1ccc(cc1)c1noc(n1)OC(=O)c1ccccc1

STK058730
Synonyms: 1- amino- N- (2- methoxyphenyl)- 5- methyl- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: COc1ccccc1NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)C

STK058766
Synonyms: 3- (2,3- dihydro- 1H- indol- 1- ylcarbonyl)- 8,8- dimethyl- 1,2,3,4,5,6,7,8- octahydronaphthalene- 2- carboxylicacid
Smiles: OC(=O)C1CC2=C(CC1C(=O)N1CCc3c1cccc3)CCCC2(C)C

STK058767
Synonyms: N- {(2Z)- 3- [4- (4- bromophenyl)- 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(cc1)Br

STK058770
Synonyms: (2E)- 1- (2,4- dichlorophenyl)- 3- [(2,6- dimethylphenyl)amino]prop- 2- en- 1- one
Smiles: Clc1ccc(c(c1)Cl)C(=O)/C=C/Nc1c(C)cccc1C

STK058779
Synonyms: 3- cyclohexyl- 6,6- dimethyl- 2- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(=C)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC(OC3)(C)C

STK058786
Synonyms: (5E)- 1- (4- chlorophenyl)- 5- {3- [2- (4- cyclohexylphenoxy)ethoxy]benzylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Clc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cccc(c2)OCCOc2ccc(cc2)C2CCCCC2)/C1=O

STK058787
Synonyms: 3- amino- 3- [2- chloro- 5- (trifluoromethyl)phenyl]propanoicacid
Smiles: NC(c1cc(ccc1Cl)C(F)(F)F)CC(=O)O

STK058798
Synonyms: N- ethyl- N- (2- methylprop- 2- en- 1- yl)- 1- [3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]piperidine- 4- carboxamide
Smiles: CCN(C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])CC(=C)C

STK058811
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- N'- {(3Z)- 2- oxo- 1- [(1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)methyl]- 1,2- dihydro- 3H- indol- 3- ylidene}acetohydrazide
Smiles: O=C(N/N=C\1/c2ccccc2N(C1=O)CN1CC2(CC1CC(C2)(C)C)C)CSc1nc2c(s1)cccc2

STK058820
Synonyms: 2- bromo- N- [6- methyl- 2- (4- methylphenyl)- 2H- benzotriazol- 5- yl]- 5- nitrobenzamide
Smiles: Cc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=O)c1cc(ccc1Br)[N+](=O)[O-]

STK058825
Synonyms: 2- ({[(2,3- dichlorophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1cccc(c1Cl)Cl)Nc1ccccc1C(=O)O

STK058842
Synonyms: 2- (5- fluoro- 2- methyl- 1H- indol- 3- yl)- N- (pyridin- 2- ylmethyl)acetamide
Smiles: O=C(Cc1c(C)[nH]c2c1cc(F)cc2)NCc1ccccn1

STK058843
Synonyms: 6- methyl- 2- (prop- 2- en- 1- ylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- amine
Smiles: C=CCSc1nc(N)c2c(n1)sc1c2CC(CC1)C

STK058844
Synonyms: 1- (2- chloro- 6- fluorobenzyl)azepane
Smiles: Fc1cccc(c1CN1CCCCCC1)Cl

STK058878
Synonyms: 4- (1H- pyrrol- 1- yl)phenyl3- nitrobenzoate
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Oc1ccc(cc1)n1cccc1

STK058909
Synonyms: 8- (3- hydroxy- 3- methylbutyl)- 4,8- dimethoxy- 4a,5,6,7,8,8a- hexahydrofuro[2,3- b]quinolin- 7- ol
Smiles: COC1=c2ccoc2=NC2C1CCC(C2(OC)CCC(O)(C)C)O

STK058917
Synonyms: 2- {[2- (pyridin- 2- yl)ethyl]sulfanyl}benzoicacid
Smiles: OC(=O)c1ccccc1SCCc1ccccn1

STK058921
Synonyms: 1- [5- hydroxy- 3- pentyl- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 2- methylpropan- 1- one
Smiles: CCCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)C(C)C

STK058928
Synonyms: methyl3- [1- benzyl- 2- (ethylsulfanyl)- 3,4- dimethyl- 5- oxo- 2,5- dihydro- 1H- pyrrol- 2- yl]propanoate
Smiles: CCSC1(CCC(=O)OC)C(=C(C(=O)N1Cc1ccccc1)C)C

STK058941
Synonyms: 2- bromo- N'- [(1E)- 1- (7- hydroxy- 2- oxo- 2H- chromen- 3- yl)ethylidene]benzohydrazide
Smiles: Oc1ccc2c(c1)oc(=O)c(c2)/C(=N/NC(=O)c1ccccc1Br)/C

STK058946
Synonyms: potassium4- [(E)- piperazin- 1- yldiazenyl]benzenesulfonate
Smiles: [O-]S(=O)(=O)c1ccc(cc1)/N=N/N1CCNCC1.[K+]

STK058957
Synonyms: 3- {(1E)- 1- [2- (4- nitrophenyl)hydrazinylidene]- 2- phenylethyl}- 1H- indole
Smiles: [O-][N+](=O)c1ccc(cc1)N/N=C(/c1c[nH]c2c1cccc2)\Cc1ccccc1

STK058958
Synonyms: 2- (azepan- 1- ylcarbonyl)phenylacetate
Smiles: CC(=O)Oc1ccccc1C(=O)N1CCCCCC1

STK058993
Synonyms: {(7E)- 7- [4- (dimethylamino)benzylidene]- 3- [4- (dimethylamino)phenyl]- 3,3a,4,5,6,7- hexahydro- 2H- indazol- 2- yl}(pyridin- 2- yl)methanone
Smiles: CN(c1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)N(C)C)C(=O)c1ccccn1)C

STK059037
Synonyms: N'- (acridin- 9- yl)- 2,4- dihydroxybenzohydrazide
Smiles: Oc1ccc(c(c1)O)C(=O)NNc1c2ccccc2nc2c1cccc2

STK059075
Synonyms: 2- methoxy- N- (4- nitrophenyl)- 2- phenylacetamide
Smiles: COC(c1ccccc1)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK059084
Synonyms: 3- {4- [(7- methyloctyl)oxy]phenyl}pyrrolidine- 2,5- dione
Smiles: CC(CCCCCCOc1ccc(cc1)C1CC(=O)NC1=O)C

STK059093
Synonyms: methyl1- methyl- 6- nitro- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1cc2c(n1C)cc(cc2)[N+](=O)[O-]

STK059110
Synonyms: 1,3- bis(2- methylphenyl)urea
Smiles: O=C(Nc1ccccc1C)Nc1ccccc1C

STK059139
Synonyms: N- (4- chlorobenzyl)- N- ethylethanamine
Smiles: CCN(Cc1ccc(cc1)Cl)CC

STK059150
Synonyms: 4- [tert- butyl(4- chlorobenzyl)amino]- 4- oxobutanoicacid
Smiles: O=C(N(C(C)(C)C)Cc1ccc(cc1)Cl)CCC(=O)O

STK059153
Synonyms: 4,10- dichloronaphtho[7,8,1,2,3- nopqr]tetraphene- 6,12- dione
Smiles: Clc1cc2c3c4c1cccc4c(=O)c1c3c3c(c2=O)cccc3c(c1)Cl

STK059161
Synonyms: 2- bromo- 7- methyl- 6- (oxido- lambda~5~- azanyl)- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: [O-][NH+]c1c(C)nc2n(c1=O)nc(s2)Br

STK059180
Synonyms: N~2~,N~4~- di(butan- 2- yl)- N~6~- methyl- 1,3,5- triazine- 2,4,6- triamine
Smiles: CCC(Nc1nc(NC(CC)C)nc(n1)NC)C

STK059225
Synonyms: 1- phenyl- 4- [1- (pyridin- 4- ylmethyl)piperidin- 4- yl]piperazine
Smiles: c1ccc(cc1)N1CCN(CC1)C1CCN(CC1)Cc1ccncc1

STK059247
Synonyms: 2- iodo- N'- [(E)- (2- methyl- 1H- indol- 3- yl)methylidene]benzohydrazide
Smiles: O=C(c1ccccc1I)N/N=C/c1c(C)[nH]c2c1cccc2

STK059250
Synonyms: (5Z)- 5- (2- hydroxybenzylidene)- 2- (3- methylpiperidin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: CC1CCCN(C1)C1=NC(=O)/C(=C/c2ccccc2O)/S1

STK059266
Synonyms: 8- [(2- methoxyethyl)amino]- 1,3,7- trimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)C

STK059295
Synonyms: ethyl{[5- oxo- 4- (phenylcarbonyl)- 4,5,7,8- tetrahydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C(=O)c1ccccc1)CCC3

STK059297
Synonyms: 5- chloro- 4- {[(3,4- dimethoxyphenyl)carbonyl]amino}- 2- methoxybenzoicacid
Smiles: COc1ccc(cc1OC)C(=O)Nc1cc(OC)c(cc1Cl)C(=O)O

STK059298
Synonyms: 2- [(4- chlorophenoxy)methyl]- 1,3- benzoxazole
Smiles: Clc1ccc(cc1)OCc1nc2c(o1)cccc2

STK059305
Synonyms: 2- hexyl[1,3]oxazolo[4,5- c]quinolin- 4(5H)- one
Smiles: CCCCCCc1nc2c(o1)c1ccccc1[nH]c2=O

STK059384
Synonyms: 2- (acetylamino)- N- (4- methylphenyl)- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxamide
Smiles: CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)C)CCC2

STK059393
Synonyms: 2- (acetylamino)- N,N- dipropyl- 5,6,7,8- tetrahydro- 4H- cyclohepta[b]thiophene- 3- carboxamide
Smiles: CCCN(C(=O)c1c(NC(=O)C)sc2c1CCCCC2)CCC

STK059397
Synonyms: N- (2- chlorophenyl)- 5- oxo- 1- [4- (propan- 2- yl)phenyl]pyrrolidine- 3- carboxamide
Smiles: O=C(C1CC(=O)N(C1)c1ccc(cc1)C(C)C)Nc1ccccc1Cl

STK059400
Synonyms: 4- chloro- 2- [(4- chlorophenyl)carbamoyl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1C(=O)Nc1ccc(cc1)Cl)Cl

STK059406
Synonyms: (6Z)- 6- {4- [2- (2- chlorophenoxy)ethoxy]- 3- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCCOc1ccccc1Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK059408
Synonyms: 7- (2,5- dimethoxyphenyl)- 5,7- dihydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazolin- 9(10H)- one
Smiles: COc1ccc(c(c1)C1N2C(=O)CSC2=NC2=C1CCc1c2cccc1)OC

STK059452
Synonyms: 3- chloro- N'- [(2E)- hexan- 2- ylidene]benzohydrazide
Smiles: CCCC/C(=N/NC(=O)c1cccc(c1)Cl)/C

STK059455
Synonyms: N- (2,4- dinitrophenyl)ethane- 1,2- diamine
Smiles: NCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK059458
Synonyms: (4E)- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 5- methyl- 4- [2- (4- methyl- 3- nitrophenyl)hydrazinylidene]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Brc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2ccc(c(c2)[N+](=O)[O-])C)/C1=O)C

STK059466
Synonyms: [(3- cyclohexyl- 4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetonitrile
Smiles: N#CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3

STK059471
Synonyms: 2- (1H- benzotriazol- 1- yl)- N'- [(E)- (3- bromophenyl)methylidene]acetohydrazide
Smiles: Brc1cccc(c1)/C=N/NC(=O)Cn1nnc2c1cccc2

STK059480
Synonyms: 2- ({1- [4- (benzyloxy)- 3- methoxyphenyl]- 2- methoxy- 2- oxoethyl}carbamoyl)cyclohexanecarboxylicacid
Smiles: COC(=O)C(c1ccc(c(c1)OC)OCc1ccccc1)NC(=O)C1CCCCC1C(=O)O

STK059490
Synonyms: 3- [(phenylamino)methyl]- 1,3- benzothiazole- 2(3H)- thione
Smiles: S=c1sc2c(n1CNc1ccccc1)cccc2

STK059492
Synonyms: [(7- methyl- 4- oxo- 3- phenyl- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetonitrile
Smiles: N#CCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCN(C3)C

STK059497
Synonyms: 1,3- benzoxazol- 2- yl2,3,4,6- tetra- O- acetyl- 1- thiohexopyranoside
Smiles: CC(=O)OCC1OC(Sc2nc3c(o2)cccc3)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C

STK059525
Synonyms: 1- (1,3- benzodioxol- 5- ylmethyl)- N- benzyl- N- ethylpiperidin- 4- amine
Smiles: CCN(C1CCN(CC1)Cc1ccc2c(c1)OCO2)Cc1ccccc1

STK059560
Synonyms: N- (3- ethoxypropyl)- 1- (pyridin- 2- ylmethyl)piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1ccccn1

STK059564
Synonyms: (2Z,5Z)- 5- (1H- indol- 3- ylmethylidene)- 2- [(4- methylphenyl)imino]- 3- propyl- 1,3- thiazolidin- 4- one
Smiles: CCCN1/C(=N/c2ccc(cc2)C)/S/C(=C\c2c[nH]c3c2cccc3)/C1=O

STK059575
Synonyms: 8- methyl- 3,11- diphenyl- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 1- one
Smiles: Cc1ccc2c(c1)NC(c1ccccc1)C1=C(N2)CC(CC1=O)c1ccccc1

STK059577
Synonyms: 5- bromo- N- {[4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]carbamothioyl}- 2- methoxybenzamide
Smiles: COc1cc(ccc1OC)c1csc(n1)NC(=S)NC(=O)c1cc(Br)ccc1OC

STK059579
Synonyms: 4- (3,3- dimethyl- 1- oxo- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 11- yl)phenylphenylacetate
Smiles: O=C(Cc1ccccc1)Oc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)(C)C

STK059596
Synonyms: 7- dodecyl- 8- [(3- hydroxypropyl)amino]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCCCCCn1c(NCCCO)nc2c1c(=O)[nH]c(=O)n2C

STK059600
Synonyms: dimethyl2- (2- methoxy- 2- oxoethyl)- 6- methyl- 4- (3- nitrophenyl)- 1,4- dihydropyridine- 3,5- dicarboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC)C

STK059603
Synonyms: 2,2'- (phenylmethanediyl)bis(5,5- dimethylcyclohexane- 1,3- dione)
Smiles: O=C1CC(C)(C)CC(=O)C1C(C1C(=O)CC(CC1=O)(C)C)c1ccccc1

STK059611
Synonyms: {4- [(E)- {2- [(3,5- dichloro- 2- hydroxyphenyl)carbonyl]hydrazinylidene}methyl]- 5- hydroxy- 6- methylpyridin- 3- yl}methyldihydrogenphosphate
Smiles: Clc1cc(Cl)c(c(c1)C(=O)N/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)O

STK059619
Synonyms: 4- {[(E)- (2- methoxynaphthalen- 1- yl)methylidene]amino}benzenesulfonamide
Smiles: COc1ccc2c(c1/C=N/c1ccc(cc1)S(=O)(=O)N)cccc2

STK059635
Synonyms: methylN- (4- {[2- (cyclohex- 1- en- 1- yl)ethyl]amino}- 4- oxobutanoyl)leucinate
Smiles: COC(=O)C(NC(=O)CCC(=O)NCCC1=CCCCC1)CC(C)C

STK059655
Synonyms: (2Z)- 6- bromo- 2- [(4- chlorophenyl)imino]- N- (pyridin- 4- yl)- 2H- chromene- 3- carboxamide
Smiles: Brc1ccc2c(c1)cc(/c(=N/c1ccc(cc1)Cl)/o2)C(=O)Nc1ccncc1

STK059673
Synonyms: 5- (3- methylphenyl)- 3- (3,4,5- trimethoxyphenyl)- 1,2,4- oxadiazole
Smiles: COc1cc(cc(c1OC)OC)c1noc(n1)c1cccc(c1)C

STK059691
Synonyms: (2Z)- 4- oxo- 2- (phenylimino)- N- (4- propoxyphenyl)- 1,3- thiazinane- 6- carboxamide
Smiles: CCCOc1ccc(cc1)NC(=O)C1CC(=O)N/C(=N/c2ccccc2)/S1

STK059692
Synonyms: 1- (9H- carbazol- 9- yl)- 3- [(tetrahydrofuran- 2- ylmethyl)amino]propan- 2- ol
Smiles: OC(Cn1c2ccccc2c2c1cccc2)CNCC1CCCO1

STK059705
Synonyms: 3- methyl- N- [(3- nitrophenyl)carbamothioyl]butanamide
Smiles: CC(CC(=O)NC(=S)Nc1cccc(c1)[N+](=O)[O-])C

STK059711
Synonyms: methyl2- ({[4- (acetylamino)phenyl]sulfonyl}amino)- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: COC(=O)c1c(sc2c1CCC2)NS(=O)(=O)c1ccc(cc1)NC(=O)C

STK059757
Synonyms: 1- (4- methoxyphenyl)- 3- (5- methyl- 1,3,4- thiadiazol- 2- yl)urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)C

STK059823
Synonyms: 2- (pyrrolidin- 1- ylmethyl)pyridine
Smiles: C1CCN(C1)Cc1ccccn1

STK059846
Synonyms: (6E)- 6- {3,5- dimethoxy- 4- [2- (4- methylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (2- methylphenyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(/C=C\2/C(=O)N=c3n(C2=N)nc(s3)c2ccccc2C)cc(c1OCCOc1ccc(cc1)C)OC

STK059847
Synonyms: 2- oxo- 2- phenylethylN'- cyano- N- phenylcarbamimidothioate
Smiles: N#C/N=C(\Nc1ccccc1)/SCC(=O)c1ccccc1

STK059882
Synonyms: methyl2- {[(2E)- 4- methoxy- 4- oxobut- 2- enoyl]amino}- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: COC(=O)/C=C/C(=O)Nc1sc2c(c1C(=O)OC)CCC2

STK059898
Synonyms: (5E)- 5- {(2E)- 3- [4- (dimethylamino)phenyl]prop- 2- en- 1- ylidene}- 3- (prop- 2- yn- 1- yl)- 1,3- thiazolidine- 2,4- dione
Smiles: C#CCN1C(=O)S/C(=C/C=C/c2ccc(cc2)N(C)C)/C1=O

STK059916
Synonyms: 2- [(4'- nitrobiphenyl- 4- yl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1CSC(=N1)Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]

STK059927
Synonyms: 2,3- dimethyl- 1- (phenylsulfonyl)- 1H- indole
Smiles: Cc1c2ccccc2n(c1C)S(=O)(=O)c1ccccc1

STK059943
Synonyms: [2- (2- hydroxy- 4- nitrophenyl)hydrazinylidene]propanedinitrile
Smiles: N#CC(=NNc1ccc(cc1O)[N+](=O)[O-])C#N

STK059948
Synonyms: N- {(E)- amino[(4- methylquinazolin- 2- yl)amino]methylidene}- 2- chloroacetamide
Smiles: ClCC(=O)/N=C(/Nc1nc(C)c2c(n1)cccc2)\N

STK059996
Synonyms: N- {2- [piperidin- 1- yl(thioxo)acetyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccccc1C(=O)C(=S)N1CCCCC1

STK060013
Synonyms: (2Z)- 2- ({1- [2- (2,4- dimethylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene)[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: Cc1ccc(c(c1)C)OCCn1c2ccccc2c(c1C)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

STK060039
Synonyms: 5- chloro- 8- [(2- fluorobenzyl)oxy]quinoline
Smiles: Fc1ccccc1COc1ccc(c2c1nccc2)Cl

STK060041
Synonyms: 4- benzyl- 2- [(E)- {[2- (naphthalen- 1- yl)- 1,3- benzoxazol- 5- yl]imino}methyl]phenol
Smiles: Oc1ccc(cc1/C=N/c1ccc2c(c1)nc(o2)c1cccc2c1cccc2)Cc1ccccc1

STK060064
Synonyms: 1- (3- chlorophenyl)- 3- {[2- oxo- 2- (piperidin- 1- yl)ethyl]sulfanyl}- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c(SCC(=O)N2CCCCC2)nc(c2c1CCCC2)c1cccc(c1)Cl

STK060069
Synonyms: 1- (5- {[(4- fluorobenzyl)sulfanyl]methyl}- 1,3,4- thiadiazol- 2- yl)- 3- (4- methoxyphenyl)urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)CSCc1ccc(cc1)F

STK060080
Synonyms: N- (2- chloro- 6- fluorobenzyl)- 2- (3,4- dimethoxyphenyl)- N- methylethanamine
Smiles: COc1ccc(cc1OC)CCN(Cc1c(F)cccc1Cl)C

STK060109
Synonyms: 2,8- dimethyl- 3- (prop- 2- en- 1- yl)quinolin- 4- ol
Smiles: C=CCc1c(C)nc2c(c1O)cccc2C

STK060111
Synonyms: (4Z)- 4- [2- (2- methoxyphenyl)hydrazinylidene]- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: COc1ccccc1N/N=C\1/C(=NN(C1=O)C(=S)N)C

STK060112
Synonyms: 4- [(4E)- 4- {[5- (4- bromophenyl)furan- 2- yl]methylidene}- 3- methyl- 5- oxopyrazolidin- 1- yl]benzoicacid
Smiles: Brc1ccc(cc1)c1ccc(o1)/C=C/1\C(C)NN(C1=O)c1ccc(cc1)C(=O)O

STK060122
Synonyms: 6- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- 2- sulfanyl- 1,4- dihydropyrimidin- 4- ol
Smiles: OC1C=C(CSc2nc(C)cc(n2)C)NC(=N1)S

STK060130
Synonyms: 1,3- dimethyl- 2- thioxo- 5- [(tricyclo[3.3.1.1~3,7~]dec- 1- ylamino)methylidene]dihydropyrimidine- 4,6(1H,5H)- dione
Smiles: CN1C(=S)N(C)C(=O)C(=CNC23CC4CC(C3)CC(C2)C4)C1=O

STK060144
Synonyms: (5E)- 3- (4- bromobenzyl)- 5- (4- hydroxy- 3- methoxy- 5- nitrobenzylidene)imidazolidine- 2,4- dione
Smiles: COc1cc(/C=C\2/NC(=O)N(C2=O)Cc2ccc(cc2)Br)cc(c1O)[N+](=O)[O-]

STK060171
Synonyms: 5- [1,1,1,3,3,3- hexafluoro- 2- (2- phenyl- 1,3- benzoxazol- 6- yl)propan- 2- yl]- 2- phenyl- 1,3- benzoxazole
Smiles: FC(C(C(F)(F)F)(c1ccc2c(c1)nc(o2)c1ccccc1)c1ccc2c(c1)oc(n2)c1ccccc1)(F)F

STK060175
Synonyms: 3- (4- chlorobenzyl)- 4- [(2,5- dimethoxyphenyl)amino]- 4- oxobutanoicacid
Smiles: COc1ccc(cc1NC(=O)C(Cc1ccc(cc1)Cl)CC(=O)O)OC

STK060184
Synonyms: 1- [(4- methoxyphenyl)sulfonyl]- 1H- benzotriazole
Smiles: COc1ccc(cc1)S(=O)(=O)n1nnc2c1cccc2

STK060196
Synonyms: 1- (4- ethoxybenzyl)- N- (3- ethoxypropyl)piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1ccc(cc1)OCC

STK060200
Synonyms: 3- (4- bromophenyl)- 3- [(4- ethylphenyl)amino]- 1- (4- fluorophenyl)propan- 1- one
Smiles: CCc1ccc(cc1)NC(c1ccc(cc1)Br)CC(=O)c1ccc(cc1)F

STK060217
Synonyms: caesium(5R,7S)- 3- hydroxytricyclo[3.3.1.1~3,7~]decane- 1- carboxylate
Smiles: [Cs]OC(=O)C12C[C@@H]3C[C@H](C1)CC(C2)(C3)O

STK060223
Synonyms: 2- methyl- 8- (methylsulfanyl)- 6- phenyl- 5H,6H- [1,3,4]thiadiazolo[2',3':2,3]pyrimido[4,5- d][1,3]thiazin- 5- one
Smiles: CSC1=Nc2c(C(S1)c1ccccc1)c(=O)nc1n2nc(s1)C

STK060225
Synonyms: N- (5- methyl- 4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl)- 10H- phenothiazine- 10- carboxamide
Smiles: O=C1N=C(SC1C)NC(=O)N1c2ccccc2Sc2c1cccc2

STK060230
Synonyms: 2- [(4,6- dimethylquinazolin- 2- yl)amino]- 1- methylquinazolin- 4(1H)- one
Smiles: Cc1ccc2c(c1)c(C)nc(n2)Nc1nc(=O)c2c(n1C)cccc2

STK060249
Synonyms: tert- butyl(2E)- 2- [1- (1- hydroxynaphthalen- 2- yl)ethylidene]hydrazinecarboxylate
Smiles: O=C(OC(C)(C)C)N/N=C(/c1ccc2c(c1O)cccc2)\C

STK060264
Synonyms: 2- chloro- N'- [(1E)- 1- (6- methoxy- 2- oxo- 2H- chromen- 3- yl)ethylidene]benzohydrazide
Smiles: COc1ccc2c(c1)cc(c(=O)o2)/C(=N/NC(=O)c1ccccc1Cl)/C

STK060273
Synonyms: 8- (methoxymethyl)- 2,3,3a,4,5,6- hexahydro- 1H- pyrazino[3,2,1- jk]carbazole
Smiles: COCc1ccc2c(c1)c1CCCC3c1n2CCN3

STK060298
Synonyms: 3- {[2- (2- methoxyphenyl)- 1,3- dioxo- 2,3- dihydro- 1H- benzo[de]isoquinolin- 6- yl]sulfonyl}benzoicacid
Smiles: COc1ccccc1n1c(=O)c2ccc(c3c2c(c1=O)ccc3)S(=O)(=O)c1cccc(c1)C(=O)O

STK060336
Synonyms: (5Z)- 5- (3,5- dibromo- 4- hydroxybenzylidene)- 3- (2- fluorobenzyl)imidazolidine- 2,4- dione
Smiles: O=C1N/C(=C\c2cc(Br)c(c(c2)Br)O)/C(=O)N1Cc1ccccc1F

STK060338
Synonyms: 1- (3,4- dimethylphenyl)- 3- [5- (2- phenylethyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: O=C(Nc1nnc(s1)CCc1ccccc1)Nc1ccc(c(c1)C)C

STK060356
Synonyms: 7- (2,4- dichlorobenzyl)- 8- [(3- hydroxypropyl)amino]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCCNc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C

STK060390
Synonyms: [4- (4- methoxyphenyl)- 2- (3- nitrophenyl)- 1,3- thiazol- 5- yl]aceticacid
Smiles: COc1ccc(cc1)c1nc(sc1CC(=O)O)c1cccc(c1)[N+](=O)[O-]

STK060393
Synonyms: 2- (5- pentyl- 1,2,4- oxadiazol- 3- yl)pyridine
Smiles: CCCCCc1onc(n1)c1ccccn1

STK060401
Synonyms: N- (3- {[(2E)- 3- (furan- 2- yl)prop- 2- enoyl]amino}phenyl)- 2- methylbenzamide
Smiles: O=C(Nc1cccc(c1)NC(=O)c1ccccc1C)/C=C/c1ccco1

STK060425
Synonyms: 1- (1,3- benzodioxol- 5- yl)- 2- {[4- (4- methylphenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1c1ccncc1

STK060465
Synonyms: N- (4- chlorobenzyl)- 2- (4- methylphenoxy)acetamide
Smiles: O=C(COc1ccc(cc1)C)NCc1ccc(cc1)Cl

STK060476
Synonyms: 2- {4- [(2- chlorobenzyl)oxy]phenyl}- 3- (4- ethylphenyl)- 2,3- dihydroquinazolin- 4(1H)- one
Smiles: CCc1ccc(cc1)N1C(Nc2c(C1=O)cccc2)c1ccc(cc1)OCc1ccccc1Cl

STK060496
Synonyms: 1- [1- (4- fluorophenyl)- 2,5- dioxopyrrolidin- 3- yl]- 1- (4- methoxybenzyl)- 3- methylthiourea
Smiles: CNC(=S)N(C1CC(=O)N(C1=O)c1ccc(cc1)F)Cc1ccc(cc1)OC

STK060529
Synonyms: 2- [(E)- 2- phenylethenyl]- 5- propylpyridine
Smiles: CCCc1ccc(nc1)/C=C/c1ccccc1

STK060554
Synonyms: N- [1- (2,4- dichlorophenyl)hexyl]formamide
Smiles: CCCCCC(c1ccc(cc1Cl)Cl)NC=O

STK060558
Synonyms: N,N'- bis(5- chloropyridin- 2- yl)ethanediamide
Smiles: Clc1ccc(nc1)NC(=O)C(=O)Nc1ccc(cn1)Cl

STK060562
Synonyms: 2- chloro- N- [2- methoxy- 4- ({[(4- methylphenoxy)acetyl]carbamothioyl}amino)phenyl]benzamide
Smiles: COc1cc(ccc1NC(=O)c1ccccc1Cl)NC(=S)NC(=O)COc1ccc(cc1)C

STK060576
Synonyms: methyl4'- octylbiphenyl- 4- carboximidoate
Smiles: CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=N)OC

STK060580
Synonyms: 1- [3- (tert- butylperoxy)- 3- methylbut- 1- yn- 1- yl]cyclopentyloctanoate
Smiles: CCCCCCCC(=O)OC1(CCCC1)C#CC(OOC(C)(C)C)(C)C

STK060593
Synonyms: 4- [3- (2- chlorobenzyl)- 1,2,4- oxadiazol- 5- yl]benzonitrile
Smiles: N#Cc1ccc(cc1)c1onc(n1)Cc1ccccc1Cl

STK060602
Synonyms: 2,6,10- trimethyltripyrazolo[1,5- a:1',5'- c:1'',5''- e][1,3,5]triazine- 3- sulfonicacid
Smiles: Cc1cc2n(n1)c1n(c3n2nc(c3)C)nc(c1S(=O)(=O)O)C

STK060607
Synonyms: 1- {1- (5- chlorothiophen- 2- yl)- 1- [1- (2,6- dimethylphenyl)- 1H- tetrazol- 5- yl]ethyl}piperidine
Smiles: Clc1ccc(s1)C(c1nnnn1c1c(C)cccc1C)(N1CCCCC1)C

STK060621
Synonyms: N- [(E)- {3- ethoxy- 4- [(4- fluorobenzyl)oxy]phenyl}methylidene]- 4H- 1,2,4- triazol- 3- amine
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)F)/C=N/c1[nH]cnn1

STK060628
Synonyms: [2- (3- cyanophenyl)hydrazinylidene]propanedinitrile
Smiles: N#Cc1cccc(c1)NN=C(C#N)C#N

STK060631
Synonyms: 2- (2- bromo- 4- nitrophenoxy)- N'- {(E)- [4- (diethylamino)phenyl]methylidene}acetohydrazide
Smiles: CCN(c1ccc(cc1)/C=N/NC(=O)COc1ccc(cc1Br)[N+](=O)[O-])CC

STK060637
Synonyms: diamino{[(2R,4S)- 2,6- dimethyl- 1- (phenylcarbonyl)- 1,2,3,4- tetrahydroquinolin- 4- yl]sulfanyl}methylium
Smiles: N[C+](S[C@H]1C[C@@H](C)N(c2c1cc(C)cc2)C(=O)c1ccccc1)N

STK060662
Synonyms: ethyl4- (2- hydroxybenzyl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1ccccc1O

STK060663
Synonyms: 4- hydrazinyl- 2- (methylsulfanyl)pyrimidine
Smiles: CSc1nccc(n1)NN

STK060676
Synonyms: N- (5- chloro- 2- methoxyphenyl)- 2,6- dimethoxybenzamide
Smiles: COc1ccc(cc1NC(=O)c1c(OC)cccc1OC)Cl

STK060738
Synonyms: ethyl2- amino- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- b]pyridine- 3- carboxylate
Smiles: CCOC(=O)c1cc2COC(Cc2nc1N)(C)C

STK060740
Synonyms: 3- chloro- 4- methyl- N- (4H- 1,2,4- triazol- 3- yl)benzamide
Smiles: O=C(c1ccc(c(c1)Cl)C)Nc1nnc[nH]1

STK060748
Synonyms: methyl4- (dimethylamino)- 3- [(4,4- dimethyl- 3- oxopentanoyl)amino]benzoate
Smiles: COC(=O)c1ccc(c(c1)NC(=O)CC(=O)C(C)(C)C)N(C)C

STK060779
Synonyms: (3E)- N- [4- (acetylamino)phenyl]- 3- {2- [oxo(pyrrolidin- 1- yl)acetyl]hydrazinylidene}butanamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)C/C(=N/NC(=O)C(=O)N1CCCC1)/C

STK060794
Synonyms: N- (4,5- dihydro- 1,3- thiazol- 2- ylcarbamothioyl)- 1- benzofuran- 2- carboxamide
Smiles: S=C(NC(=O)c1cc2c(o1)cccc2)NC1=NCCS1

STK060815
Synonyms: 2- [(4- cyano- 1- phenyl- 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)c1ccccc1

STK060839
Synonyms: 4- (1,3- dibenzylimidazolidin- 2- yl)benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)C1N(CCN1Cc1ccccc1)Cc1ccccc1

STK060842
Synonyms: 2- (2- hydroxy- 4- methylphenyl)- 7- methyl- 2,3,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: CN1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(cc1O)C

STK060863
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl4- fluorobenzoate
Smiles: O=C(c1ccc(cc1)F)OC1CN2CCC1CC2

STK060876
Synonyms: 5- phenyl- 3- (3,4,5- trimethoxyphenyl)- 1,2,4- oxadiazole
Smiles: COc1cc(cc(c1OC)OC)c1noc(n1)c1ccccc1

STK060877
Synonyms: (E)- 2- [1- (4- chlorobenzyl)- 1H- benzimidazol- 2- yl]- 1- (3- fluorophenyl)ethenyl3- fluorobenzoate
Smiles: Clc1ccc(cc1)Cn1c(/C=C(\c2cccc(c2)F)/OC(=O)c2cccc(c2)F)nc2c1cccc2

STK060893
Synonyms: N- (1,3- dioxo- 2- phenyl- 2,3- dihydro- 1H- isoindol- 4- yl)- 2- (thiophen- 2- yl)acetamide
Smiles: O=C(Nc1cccc2c1C(=O)N(C2=O)c1ccccc1)Cc1cccs1

STK060904
Synonyms: 8- {[(6- chloro- 1,3- benzodioxol- 5- yl)methyl]sulfanyl}- 1,3- dimethyl- 3,9- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1cc2OCOc2cc1CSc1nc2c([nH]1)n(C)c(=O)n(c2=O)C

STK060934
Synonyms: N- heptylpyridine- 4- carboxamide
Smiles: CCCCCCCNC(=O)c1ccncc1

STK060965
Synonyms: 3- (3,4- dimethoxybenzyl)- 5- (4- ethylphenyl)- 1,2,4- oxadiazole
Smiles: CCc1ccc(cc1)c1onc(n1)Cc1ccc(c(c1)OC)OC

STK060966
Synonyms: 6- oxo- 2- {[2- oxo- 2- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethyl]sulfanyl}- 4- (trifluoromethyl)- 1,6- dihydropyridine- 3- carbonitrile
Smiles: N#Cc1c(cc(=O)[nH]c1SCC(=O)C12CC3CC(C2)CC(C1)C3)C(F)(F)F

STK060997
Synonyms: 2- (2,5- dimethyl- 1H- indol- 3- yl)- N- (3- nitrophenyl)acetamide
Smiles: O=C(Cc1c(C)[nH]c2c1cc(C)cc2)Nc1cccc(c1)[N+](=O)[O-]

STK061001
Synonyms: N- (3- acetylphenyl)- 1- benzyl- 5- oxopyrrolidine- 3- carboxamide
Smiles: O=C(C1CC(=O)N(C1)Cc1ccccc1)Nc1cccc(c1)C(=O)C

STK061005
Synonyms: N- {1- [(2E)- 2- (4- chlorobenzylidene)hydrazinyl]- 3- methyl- 1- oxobutan- 2- yl}benzenesulfonamide(non- preferredname)
Smiles: CC(C(C(=O)N/N=C/c1ccc(cc1)Cl)NS(=O)(=O)c1ccccc1)C

STK061019
Synonyms: 2- {[(2- chlorophenyl)carbonyl]amino}- 6- methyl- N- propyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: CCCNC(=O)c1c(sc2c1CCC(C2)C)NC(=O)c1ccccc1Cl

STK061030
Synonyms: N- (3- chloro- 2- methylphenyl)- 4- methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1C)Cl

STK061043
Synonyms: 3b,6,6a,7,9,9a,10,12a- octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1- ij]quinoline- 2- carboxylicacid
Smiles: OC(=O)c1cc2C3C=CCC3CN3c2c(c1)C1C=CCC1C3

STK061044
Synonyms: 2- (2- bromo- 4- nitrophenoxy)- N'- [(E)- (2,4- dihydroxy- 6- methylphenyl)methylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1Br)[N+](=O)[O-])N/N=C/c1c(C)cc(cc1O)O

STK061056
Synonyms: N'- [(1E)- 1- (2,4,6- trimethylpyridin- 3- yl)ethylidene]benzohydrazide
Smiles: Cc1cc(C)c(c(n1)C)/C(=N/NC(=O)c1ccccc1)/C

STK061068
Synonyms: 4- hydroxy- 1- methyl- 2- oxo- N'- pentanoyl- 1,2- dihydroquinoline- 3- carbohydrazide
Smiles: CCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(c1=O)C

STK061075
Synonyms: (6Z)- 6- {3- bromo- 4- [2- (2,5- dimethylphenoxy)ethoxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1cc(C)ccc1C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK061094
Synonyms: 3- [2- amino- 4- (4- methoxyphenyl)- 1,3- thiazol- 5- yl]propanoicacid
Smiles: COc1ccc(cc1)c1nc(sc1CCC(=O)O)N

STK061107
Synonyms: 8,8- dimethyl- 3- (piperidin- 1- ylcarbonyl)- 1,2,3,4,5,6,7,8- octahydronaphthalene- 2- carboxylicacid
Smiles: O=C(C1CC2=C(CC1C(=O)O)C(CCC2)(C)C)N1CCCCC1

STK061114
Synonyms: (2Z)- 2- [4- (dimethylamino)benzylidene]- 4- hydroxy- 3- (phenylcarbonyl)naphthalen- 1(2H)- one
Smiles: CN(c1ccc(cc1)/C=C\1/C(=C(O)c2c(C1=O)cccc2)C(=O)c1ccccc1)C

STK061136
Synonyms: 4- (5- {(Z)- [5- cyano- 1- (3- hydroxypropyl)- 4- methyl- 2,6- dioxo- 1,6- dihydropyridin- 3(2H)- ylidene]methyl}furan- 2- yl)benzenesulfonamide
Smiles: OCCCN1C(=O)/C(=C\c2ccc(o2)c2ccc(cc2)S(=O)(=O)N)/C(=C(C1=O)C#N)C

STK061148
Synonyms: ethyl4- methyl- 2- ({[(3,4,5- triethoxyphenyl)carbonyl]carbamothioyl}amino)- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1sc(nc1C)NC(=S)NC(=O)c1cc(OCC)c(c(c1)OCC)OCC

STK061152
Synonyms: (3Z,3'Z)- 3,3'- (1Z,2Z)- hydrazine- 1,2- diylidenebis(6- bromo- 5- methyl- 1,3- dihydro- 2H- indol- 2- one)
Smiles: O=C1Nc2c(/C/1=N/N=C/1\C(=O)Nc3c1cc(C)c(c3)Br)cc(c(c2)Br)C

STK061192
Synonyms: N- (3- {[(3- bromo- 4- methoxyphenyl)carbonyl]amino}phenyl)thiophene- 2- carboxamide
Smiles: COc1ccc(cc1Br)C(=O)Nc1cccc(c1)NC(=O)c1cccs1

STK061228
Synonyms: N- (4- hydroxyphenyl)- 4- (4- nitrophenoxy)benzamide
Smiles: Oc1ccc(cc1)NC(=O)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]

STK061230
Synonyms: [(3,5- dichlorophenyl)amino](phenylsulfonyl)methanone
Smiles: Clc1cc(cc(c1)Cl)NC(=O)S(=O)(=O)c1ccccc1

STK061245
Synonyms: N- [4- (1,3- benzoxazol- 2- yl)phenyl]- 2- methyl- 3- nitrobenzamide
Smiles: O=C(c1cccc(c1C)[N+](=O)[O-])Nc1ccc(cc1)c1nc2c(o1)cccc2

STK061264
Synonyms: pyridin- 3- yl3- methoxybenzoate
Smiles: COc1cccc(c1)C(=O)Oc1cccnc1

STK061272
Synonyms: 6- ethoxy- 3- (4- methoxybenzyl)- 2- methylquinolin- 4- ol
Smiles: CCOc1ccc2c(c1)c(O)c(c(n2)C)Cc1ccc(cc1)OC

STK061275
Synonyms: (2Z)- 3- (3- bromophenyl)- 2- (2- oxopyridin- 1(2H)- yl)- N,N- di(prop- 2- en- 1- yl)prop- 2- enamide
Smiles: C=CCN(C(=O)/C(=C/c1cccc(c1)Br)/n1ccccc1=O)CC=C

STK061284
Synonyms: 1- [(2,4- dimethoxyphenyl)(morpholin- 4- yl)methyl]naphthalen- 2- ol
Smiles: COc1cc(OC)ccc1C(c1c(O)ccc2c1cccc2)N1CCOCC1

STK061287
Synonyms: 3- {(2E)- 2- [(3E)- 4- (furan- 2- yl)but- 3- en- 2- ylidene]hydrazinyl}benzoicacid
Smiles: C/C(=N\Nc1cccc(c1)C(=O)O)/C=C/c1ccco1

STK061297
Synonyms: 6,8- dichloro- 2- oxo- N- (1,3- thiazol- 2- yl)- 2H- chromene- 3- carboxamide
Smiles: Clc1cc(Cl)c2c(c1)cc(c(=O)o2)C(=O)Nc1nccs1

STK061298
Synonyms: 1- [5- tert- butyl- 5- hydroxy- 3- (pentafluoroethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 2- (2,4- dichlorophenoxy)ethanone
Smiles: Clc1ccc(c(c1)Cl)OCC(=O)N1N=C(CC1(O)C(C)(C)C)C(C(F)(F)F)(F)F

STK061299
Synonyms: N- (3- acetylphenyl)- 1H- 1,2,4- triazole- 3- carboxamide
Smiles: O=C(c1n[nH]cn1)Nc1cccc(c1)C(=O)C

STK061310
Synonyms: 2- (naphthalen- 1- yloxy)- N- (pyridin- 3- yl)acetamide
Smiles: O=C(Nc1cccnc1)COc1cccc2c1cccc2

STK061314
Synonyms: 2- (4- chlorophenyl)- 5- [4- (4- pentylphenyl)cyclohexyl]- 1,3,4- thiadiazole
Smiles: CCCCCc1ccc(cc1)C1CCC(CC1)c1nnc(s1)c1ccc(cc1)Cl

STK061329
Synonyms: 2- (3- methyl- 1H- 1,2,4- triazol- 5- yl)propan- 2- ol
Smiles: Cc1n[nH]c(n1)C(O)(C)C

STK061349
Synonyms: (2E)- 4- ({4- [(4- methoxyphenyl)sulfamoyl]phenyl}amino)- 4- oxobut- 2- enoicacid
Smiles: COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)/C=C/C(=O)O

STK061381
Synonyms: N- [(E)- 1H- indol- 3- ylmethylidene]- 4- [(E)- phenyldiazenyl]aniline
Smiles: c1ccc(cc1)/N=N/c1ccc(cc1)/N=C/c1c[nH]c2c1cccc2

STK061399
Synonyms: methyl2- amino- 4- {2- [(4- chlorobenzyl)oxy]phenyl}- 7,7- dimethyl- 5- oxo- 5,6,7,8- tetrahydro- 4H- chromene- 3- carboxylate
Smiles: COC(=O)C1=C(N)OC2=C(C1c1ccccc1OCc1ccc(cc1)Cl)C(=O)CC(C2)(C)C

STK061404
Synonyms: methyl(2E)- 4- [(3- cyano- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)amino]- 4- oxobut- 2- enoate
Smiles: COC(=O)/C=C/C(=O)Nc1sc2c(c1C#N)CCCC2

STK061413
Synonyms: N- {[(2- oxo- 2H- chromen- 7- yl)oxy]acetyl}glycine
Smiles: O=C(COc1ccc2c(c1)oc(=O)cc2)NCC(=O)O

STK061417
Synonyms: diethyl2,2'- [(2- oxo- 4- phenyl- 2H- chromene- 5,7- diyl)bis(oxy)]dipropanoate
Smiles: CCOC(=O)C(Oc1cc(OC(C(=O)OCC)C)c2c(c1)oc(=O)cc2c1ccccc1)C

STK061418
Synonyms: (5E)- 5- {3- bromo- 4- [(2,4- dichlorobenzyl)oxy]- 5- ethoxybenzylidene}- 3- ethyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(/C=C\2/SC(=S)N(C2=O)CC)cc(c1OCc1ccc(cc1Cl)Cl)Br

STK061453
Synonyms: (4Z)- 2- (1,3- benzothiazol- 2- yl)- 4- {1- [(2- methoxyethyl)amino]ethylidene}- 5- {[(4- methylphenyl)sulfanyl]methyl}- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COCCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C)/C

STK061458
Synonyms: 4- hydroxy- N'- (3- methylbutanoyl)- 2- oxo- 1,2- dihydroquinoline- 3- carbohydrazide
Smiles: CC(CC(=O)NNC(=O)c1c(=O)[nH]c2c(c1O)cccc2)C

STK061463
Synonyms: methyl2- {[(E)- 1,3- benzodioxol- 5- ylmethylidene]amino}- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: COC(=O)c1c(/N=C/c2ccc3c(c2)OCO3)sc2c1CCC2

STK061495
Synonyms: N- [3- (morpholin- 4- yl)propyl]- 4- oxo- 4- {2- [(5- phenylfuran- 2- yl)carbonyl]hydrazinyl}butanamide
Smiles: O=C(NNC(=O)c1ccc(o1)c1ccccc1)CCC(=O)NCCCN1CCOCC1

STK061496
Synonyms: (6Z)- 6- {3- [2- (3,5- dimethylphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cc(OCCOc2cccc(c2)/C=C/2\C(=O)N=c3n(C2=N)c(cs3)c2ccccc2)cc(c1)C

STK061497
Synonyms: ethyl(4E)- 3- methyl- 4- [2- (4- nitrophenyl)hydrazinylidene]- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxylate
Smiles: CCOC(=O)c1oc2c(c1C)/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/CCC2

STK061539
Synonyms: (5Z)- 5- [(2Z)- 3- bromo- 3- phenylprop- 2- en- 1- ylidene]- 3- ethyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCN1C(=S)S/C(=C\C=C(\c2ccccc2)/Br)/C1=O

STK061642
Synonyms: 1- (3,4- dichlorophenyl)- 2- [2- (morpholin- 4- yl)- 1H- benzimidazol- 1- yl]ethanone
Smiles: O=C(c1ccc(c(c1)Cl)Cl)Cn1c(nc2c1cccc2)N1CCOCC1

STK061689
Synonyms: (2Z,3E)- 3- [2- (furan- 2- ylcarbonyl)hydrazinylidene]- 2- (hydroxyimino)- N- phenylbutanamide
Smiles: O/N=C(\C(=O)Nc1ccccc1)/C(=N/NC(=O)c1ccco1)/C

STK061694
Synonyms: 4- (5- {(Z)- [(2Z)- 3- cyclohexyl- 4- oxo- 2- (phenylimino)- 1,3- thiazolidin- 5- ylidene]methyl}furan- 2- yl)benzoicacid
Smiles: OC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\S/C(=N\c2ccccc2)/N(C1=O)C1CCCCC1

STK061697
Synonyms: methyl4- [(1S,2S,3aR)- 3,3- dicyano- 1- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinolin- 2- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)[C@@H]1[C@H](N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3

STK061711
Synonyms: 5,5'- [(4- nitrophenyl)methanediyl]dipyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(C(=O)N1)C(C1C(=O)NC(=O)NC1=O)c1ccc(cc1)[N+](=O)[O-]

STK061728
Synonyms: 2- (4- bromo- 3- chlorophenyl)- 5- nitro- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1c2cc(ccc2C(=O)N1c1ccc(c(c1)Cl)Br)[N+](=O)[O-]

STK061756
Synonyms: [4- (4- phenoxyphenyl)- 2- phenyl- 1,3- thiazol- 5- yl]aceticacid
Smiles: OC(=O)Cc1sc(nc1c1ccc(cc1)Oc1ccccc1)c1ccccc1

STK061765
Synonyms: (2E)- 2- cyano- N- (furan- 2- ylmethyl)- 3- (1- {2- [5- methyl- 2- (propan- 2- yl)phenoxy]ethyl}- 1H- pyrrol- 2- yl)prop- 2- enamide
Smiles: N#C/C(=C\c1cccn1CCOc1cc(C)ccc1C(C)C)/C(=O)NCc1ccco1

STK061774
Synonyms: (2E)- 3- (3- {[(E)- (4- fluorophenyl)methylidene]amino}phenyl)prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1cccc(c1)/N=C/c1ccc(cc1)F

STK061808
Synonyms: 2- [(7- methoxy- 4- methylquinazolin- 2- yl)amino]- 5,6- dimethylpyrimidin- 4(1H)- one
Smiles: COc1ccc2c(c1)nc(nc2C)Nc1nc(=O)c(c([nH]1)C)C

STK061809
Synonyms: N- [(4- {[(4- bromophenyl)sulfonyl]amino}phenyl)sulfonyl]acetamide
Smiles: CC(=O)NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)Br

STK061821
Synonyms: 2- (4- methylbenzyl)- 1,2,3,4- tetrahydroisoquinoline
Smiles: Cc1ccc(cc1)CN1CCc2c(C1)cccc2

STK061822
Synonyms: N- benzyl- 6- (piperidin- 1- yl)- 1,3,5- triazine- 2,4- diamine
Smiles: Nc1nc(NCc2ccccc2)nc(n1)N1CCCCC1

STK061840
Synonyms: N- (4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)tridecanamide
Smiles: CCCCCCCCCCCCC(=O)Nc1c(=O)[nH]c2c(c1O)cccc2

STK061845
Synonyms: 4- chloro- N- (4- methoxybenzyl)benzenesulfonamide
Smiles: COc1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)Cl

STK061849
Synonyms: 3,4- dimethyl- N- (4- methylpyridin- 2- yl)benzamide
Smiles: Cc1ccnc(c1)NC(=O)c1ccc(c(c1)C)C

STK061855
Synonyms: N- [1- (2- chlorophenyl)- 2- cyano- 1H- benzo[f]chromen- 3- yl]acetamide
Smiles: N#CC1=C(NC(=O)C)Oc2c(C1c1ccccc1Cl)c1ccccc1cc2

STK061873
Synonyms: 2- {[(1- benzofuran- 2- ylcarbonyl)carbamothioyl]amino}benzoicacid
Smiles: S=C(Nc1ccccc1C(=O)O)NC(=O)c1cc2c(o1)cccc2

STK061884
Synonyms: 2- (naphthalen- 1- ylamino)- N'- {(E)- [5- (4- nitrophenyl)furan- 2- yl]methylidene}acetohydrazide(non- preferredname)
Smiles: O=C(CNc1cccc2c1cccc2)N/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]

STK061885
Synonyms: 3- (2,6- difluorophenyl)- 5- (4- methoxyphenyl)- 1,2,4- oxadiazole
Smiles: COc1ccc(cc1)c1onc(n1)c1c(F)cccc1F

STK061893
Synonyms: 2- {4- methoxy- 3- [(2- methyl- 4- nitrophenoxy)methyl]phenyl}- 1,3- thiazolidine- 4- carboxylicacid
Smiles: COc1ccc(cc1COc1ccc(cc1C)[N+](=O)[O-])C1SCC(N1)C(=O)O

STK061914
Synonyms: 5- (3- bromo- 5- chloro- 4- hydroxybenzylidene)- 1,3- dimethyl- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: CN1C(=S)N(C)C(=O)C(=Cc2cc(Cl)c(c(c2)Br)O)C1=O

STK061924
Synonyms: N- [(5- tert- butyl- 2- hydroxyphenyl)carbamothioyl]- 3- methylbenzamide
Smiles: S=C(Nc1cc(ccc1O)C(C)(C)C)NC(=O)c1cccc(c1)C

STK061961
Synonyms: 7- methyl- 2- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 3- phenyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC(=C)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCN(C3)C

STK061972
Synonyms: 4,4'- sulfonylbis(2- {[(E)- pyridin- 3- ylmethylidene]amino}phenol)
Smiles: Oc1ccc(cc1/N=C/c1cccnc1)S(=O)(=O)c1ccc(c(c1)/N=C/c1cccnc1)O

STK061977
Synonyms: N- (2- oxo- 2,3- dihydro- 1H- benzimidazol- 5- yl)- 1H- 1,2,4- triazole- 3- carboxamide
Smiles: O=C(c1n[nH]cn1)Nc1ccc2c(c1)[nH]c(=O)[nH]2

STK061981
Synonyms: 3'- methylbiphenyl- 3- carboxylicacid
Smiles: Cc1cccc(c1)c1cccc(c1)C(=O)O

STK061995
Synonyms: ethyl{[4- cyano- 1- (piperidin- 1- yl)- 5,6,7,8- tetrahydroisoquinolin- 3- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc(N2CCCCC2)c2c(c1C#N)CCCC2

STK062002
Synonyms: 1- ({[(E)- (4- bromophenyl)methylidene]amino}oxy)- 3- phenylpropan- 1- one
Smiles: O=C(CCc1ccccc1)O/N=C/c1ccc(cc1)Br

STK062003
Synonyms: 2- (1- methylhydrazinyl)- 4,6- di(piperidin- 1- yl)- 1,3,5- triazine
Smiles: CN(c1nc(nc(n1)N1CCCCC1)N1CCCCC1)N

STK062035
Synonyms: 2- {[(E)- furan- 2- ylmethylidene]amino}- 4,5- dimethoxybenzoicacid
Smiles: COc1cc(/N=C/c2ccco2)c(cc1OC)C(=O)O

STK062046
Synonyms: N- (2,3- dimethylcyclohexyl)- 4- hydrazinyl- 4- oxobutanamide
Smiles: CC1C(CCCC1C)NC(=O)CCC(=O)NN

STK062062
Synonyms: ethyl1- [(4- nitrophenyl)sulfonyl]piperidine- 3- carboxylate
Smiles: CCOC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

STK062072
Synonyms: N'- (cyclohexylcarbonyl)- 4- phenylcyclohexanecarbohydrazide
Smiles: O=C(C1CCC(CC1)c1ccccc1)NNC(=O)C1CCCCC1

STK062135
Synonyms: 3- methyl- 2- thioxo- 2,3,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: Cn1c(=S)[nH]c2c(c1=O)c1CCCCc1s2

STK062141
Synonyms: 4- {[4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]amino}phenol
Smiles: Oc1ccc(cc1)Nc1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK062169
Synonyms: 6- (4- chlorophenyl)- 5- (3- methylphenyl)- 1- phenyl- 1,5- dihydro- 4H- pyrazolo[3,4- d]pyrimidin- 4- one
Smiles: Clc1ccc(cc1)c1nc2n(ncc2c(=O)n1c1cccc(c1)C)c1ccccc1

STK062178
Synonyms: (2Z)- 3- amino- 4,4,4- trichloro- 1- (2- hydroxy- 4- methylphenyl)but- 2- en- 1- one
Smiles: Cc1ccc(c(c1)O)C(=O)/C=C(/C(Cl)(Cl)Cl)\N

STK062185
Synonyms: 1- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 4- phenyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

STK062201
Synonyms: (6Z)- 6- (2- hydroxy- 5- nitrobenzylidene)- 5- imino- 2- phenyl- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(ccc1O)[N+](=O)[O-])c1ccccc1

STK062210
Synonyms: N- (2,3- dichlorophenyl)- 2- oxo- 2- [(2E)- 2- (thiophen- 2- ylmethylidene)hydrazinyl]acetamide
Smiles: O=C(C(=O)N/N=C/c1cccs1)Nc1cccc(c1Cl)Cl

STK062227
Synonyms: 1- [3- (benzyloxy)benzyl]- N- butylpiperidine- 4- carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)Cc1cccc(c1)OCc1ccccc1

STK062233
Synonyms: 5- (3- methylphenyl)- 3- [4- (4- pentylcyclohexyl)phenyl]- 1,2,4- oxadiazole
Smiles: CCCCCC1CCC(CC1)c1ccc(cc1)c1noc(n1)c1cccc(c1)C

STK062243
Synonyms: (2E)- 2- cyano- N- cyclohexyl- 3- [2- (naphthalen- 1- ylmethoxy)phenyl]prop- 2- enamide
Smiles: N#C/C(=C\c1ccccc1OCc1cccc2c1cccc2)/C(=O)NC1CCCCC1

STK062253
Synonyms: 4- {5- [3- (2- chlorophenyl)- 5- methyl- 1,2- oxazol- 4- yl]- 1,2,4- oxadiazol- 3- yl}- 1,2,5- oxadiazol- 3- amine
Smiles: Cc1onc(c1c1onc(n1)c1nonc1N)c1ccccc1Cl

STK062273
Synonyms: 2- [(E)- {[4,6- bis(4- {[(E)- (2- hydroxy- 5- nitrophenyl)methylidene]amino}phenyl)pyrimidin- 2- yl]imino}methyl]- 4- nitrophenol
Smiles: Oc1ccc(cc1/C=N/c1nc(cc(n1)c1ccc(cc1)/N=C/c1cc(ccc1O)[N+](=O)[O-])c1ccc(cc1)/N=C/c1cc(ccc1O)[N+](=O)[O-])[N+](=O)[O-]

STK062288
Synonyms: 2- ({5- [(2- chlorophenoxy)methyl]- 4- methyl- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,3- dichlorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1Cl)Cl)CSc1nnc(n1C)COc1ccccc1Cl

STK062304
Synonyms: 5- bromo- N- {4- [5- (4- chlorophenyl)- 1,2,4- oxadiazol- 3- yl]phenyl}furan- 2- carboxamide
Smiles: Clc1ccc(cc1)c1onc(n1)c1ccc(cc1)NC(=O)c1ccc(o1)Br

STK062329
Synonyms: 4- [(6'- methoxycinchonan- 9- yl)oxy]- 4- oxobutanoicacid
Smiles: C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)CCC(=O)O

STK062341
Synonyms: 2- {[5- methyl- 2- (propan- 2- yl)phenoxy]methyl}- 3- [(2,2,6,6- tetramethylpiperidin- 4- ylidene)amino]quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)OCc1nc2ccccc2c(=O)n1N=C1CC(C)(C)NC(C1)(C)C)C(C)C

STK062345
Synonyms: sodium3- methyl- 2- (2- methylpropyl)- 5- oxo- 5- [(1- phenyl- 1H- pyrazol- 3- yl)amino]pentanoate
Smiles: [Na]OC(=O)C(C(CC(=O)Nc1ccn(n1)c1ccccc1)C)CC(C)C

STK062351
Synonyms: (2Z)- 3- {3- chloro- 4- [2- (3,4- dimethylphenoxy)ethoxy]- 5- methoxyphenyl}- 2- (3,4- dimethoxyphenyl)prop- 2- enenitrile
Smiles: COc1cc(/C=C(/c2ccc(c(c2)OC)OC)\C#N)cc(c1OCCOc1ccc(c(c1)C)C)Cl

STK062358
Synonyms: (2Z,5Z)- 5- [(4- methoxynaphthalen- 1- yl)methylidene]- 2- [(4- methylphenyl)imino]- 3- (2- phenylethyl)- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(c2c1cccc2)/C=C/1\S/C(=N\c2ccc(cc2)C)/N(C1=O)CCc1ccccc1

STK062368
Synonyms: 1- (3- ethoxy- 2- hydroxybenzyl)- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1cccc(c1O)OCC)C

STK062373
Synonyms: (3- butyl- 2- phenyl- 1,3- oxazol- 3- ium- 5- yl)(trifluoroacetyl)azanide
Smiles: CCCC[n+]1cc(oc1c1ccccc1)[N-]C(=O)C(F)(F)F

STK062396
Synonyms: 7,11- bis(2,4- dichlorophenyl)- 2,4,8,10- tetraazaspiro[5.5]undecane- 1,3,5,9- tetrone
Smiles: O=C1NC(c2ccc(cc2Cl)Cl)C2(C(N1)c1ccc(cc1Cl)Cl)C(=O)NC(=O)NC2=O

STK062397
Synonyms: N'- [(1E)- 1- (4- ethoxy- 3- nitrophenyl)ethylidene]- 1- methylbicyclo[4.1.0]heptane- 7- carbohydrazide
Smiles: CCOc1ccc(cc1[N+](=O)[O-])/C(=N/NC(=O)C1C2C1(C)CCCC2)/C

STK062414
Synonyms: N- {(2Z)- 8- methoxy- 3- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 2H- chromen- 2- ylidene}- 1,3- thiazol- 2- amine
Smiles: COc1ccc(cc1)c1csc(n1)c1cc2cccc(c2o/c/1=N\c1nccs1)OC

STK062415
Synonyms: 4- chloro- N- [2- hydroxy- 3- (4- methoxyphenoxy)propyl]benzamide
Smiles: COc1ccc(cc1)OCC(CNC(=O)c1ccc(cc1)Cl)O

STK062426
Synonyms: 1- (cyclohexylmethyl)- N- (propan- 2- yl)piperidine- 4- carboxamide
Smiles: CC(NC(=O)C1CCN(CC1)CC1CCCCC1)C

STK062427
Synonyms: N,N- dibutyl- 2- (4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)acetamide
Smiles: CCCCN(C(=O)Cc1c(=O)[nH]c2c(c1O)cccc2)CCCC

STK062428
Synonyms: chloro[3- (formyloxy)- 2,3- diphenylpropyl]mercury
Smiles: Cl[Hg]CC(C(c1ccccc1)OC=O)c1ccccc1

STK062435
Synonyms: 5- bromo- N- [2- chloro- 5- ([1,3]oxazolo[4,5- b]pyridin- 2- yl)phenyl]naphthalene- 1- carboxamide
Smiles: Clc1ccc(cc1NC(=O)c1cccc2c1cccc2Br)c1nc2c(o1)cccn2

STK062437
Synonyms: 9,10- dioxo- 9,10- dihydroanthracene- 1,8- diylbis[4- (4- pentylcyclohexyl)benzoate]
Smiles: CCCCCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1cccc2c1C(=O)c1c(C2=O)cccc1OC(=O)c1ccc(cc1)C1CCC(CC1)CCCCC

STK062438
Synonyms: N- benzyl- N- (pyridin- 2- ylmethyl)ethanamine
Smiles: CCN(Cc1ccccn1)Cc1ccccc1

STK062463
Synonyms: N- {[2- (3- chloro- 4- ethoxyphenyl)- 6- methyl- 2H- benzotriazol- 5- yl]carbamothioyl}thiophene- 2- carboxamide
Smiles: CCOc1ccc(cc1Cl)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1cccs1

STK062476
Synonyms: 1- (2,4- dimethoxybenzyl)- N- [3- (dimethylamino)- 2,2- dimethylpropyl]piperidine- 4- carboxamide
Smiles: COc1cc(OC)ccc1CN1CCC(CC1)C(=O)NCC(CN(C)C)(C)C

STK062494
Synonyms: 4- {(Z)- [(2Z)- 4- oxo- 2- (phenylimino)- 3- propyl- 1,3- thiazolidin- 5- ylidene]methyl}benzoicacid
Smiles: CCCN1/C(=N/c2ccccc2)/S/C(=C\c2ccc(cc2)C(=O)O)/C1=O

STK062501
Synonyms: N- (4- methylpyridin- 2- yl)- 3- nitrobenzamide
Smiles: Cc1ccnc(c1)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK062515
Synonyms: (4Z)- 4- (anthracen- 9- ylmethylidene)- 3- (4- chlorophenyl)- 1,2- oxazol- 5(4H)- one
Smiles: Clc1ccc(cc1)C1=NOC(=O)/C/1=C\c1c2ccccc2cc2c1cccc2

STK062559
Synonyms: 2- [(2- methylphenyl)amino]- 4,6- diphenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(nc(cc1c1ccccc1)c1ccccc1)Nc1ccccc1C

STK062561
Synonyms: (2Z)- 2- [(2E)- (4- iodobenzylidene)hydrazinylidene]- 3- methyl- 2,3- dihydro- 1,3- benzothiazole
Smiles: Ic1ccc(cc1)/C=N/N=c/1\sc2c(n1C)cccc2

STK062576
Synonyms: (6Z)- 6- {4- [2- (4- chloro- 3- methylphenoxy)ethoxy]- 3- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCCOc1ccc(c(c1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK062586
Synonyms: (2E)- 3- [(2,5- dichlorophenyl)amino]- 1- phenylbut- 2- en- 1- one
Smiles: C/C(=C\C(=O)c1ccccc1)/Nc1cc(Cl)ccc1Cl

STK062634
Synonyms: N- [3- (dimethylamino)- 2,2- dimethylpropyl]- 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]piperidine- 4- carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)(C)C)C

STK062651
Synonyms: N- {(2Z)- 3- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 2H- chromen- 2- ylidene}- 1,3- thiazol- 2- amine
Smiles: Clc1ccc(cc1Cl)c1csc(n1)c1cc2ccccc2o/c/1=N\c1nccs1

STK062661
Synonyms: N- {1- [(2,6- dimethylphenyl)carbamoyl]cyclohexyl}- N- (furan- 2- ylmethyl)pyridine- 2- carboxamide
Smiles: O=C(N(C1(CCCCC1)C(=O)Nc1c(C)cccc1C)Cc1ccco1)c1ccccn1

STK062689
Synonyms: 2- (1,3- benzoxazol- 2- ylamino)- 6- phenyl- 5,6- dihydropyrimidin- 4(1H)- one
Smiles: O=C1N=C(Nc2nc3c(o2)cccc3)NC(C1)c1ccccc1

STK062716
Synonyms: 4- [1- (hydroxymethyl)- 1H- indol- 3- yl]- 4- oxobutanoicacid
Smiles: OCn1cc(c2c1cccc2)C(=O)CCC(=O)O

STK062722
Synonyms: [(ethylamino)methyl]phosphonicacid
Smiles: CCNCP(=O)(O)O

STK062737
Synonyms: 5- (propan- 2- yl)pyridine- 2- carboxylicacid
Smiles: CC(c1ccc(nc1)C(=O)O)C

STK062739
Synonyms: (5E)- 3- benzyl- 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)N(C2=O)Cc2ccccc2)cc(c1OCCCOc1ccc(cc1)C(C)(C)C)Cl

STK062767
Synonyms: 2- (4- hydroxyphenyl)- 5- (4- oxo- 4H- 3,1- benzoxazin- 2- yl)- 1H- isoindole- 1,3(2H)- dione
Smiles: Oc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)c1nc2ccccc2c(=O)o1

STK062771
Synonyms: 6- (naphthalen- 2- ylcarbamoyl)cyclohex- 3- ene- 1- carboxylicacid
Smiles: O=C(C1CC=CCC1C(=O)O)Nc1ccc2c(c1)cccc2

STK062780
Synonyms: 1,1'- benzene- 1,2- diyldipyrrolidine- 2,5- dione
Smiles: O=C1CCC(=O)N1c1ccccc1N1C(=O)CCC1=O

STK062784
Synonyms: 2- [(4,6- dimethylpyrimidin- 2- yl)oxy]- 3,3- bis(4- fluorophenyl)- 3- propoxypropanoicacid
Smiles: CCCOC(C(C(=O)O)Oc1nc(C)cc(n1)C)(c1ccc(cc1)F)c1ccc(cc1)F

STK062802
Synonyms: methyl3- (1- acetyl- 1H- indol- 3- yl)- 3- (acetylsulfanyl)- 2- nitropropanoate
Smiles: COC(=O)C(C(c1cn(c2c1cccc2)C(=O)C)SC(=O)C)[N+](=O)[O-]

STK062809
Synonyms: N- (6- hydroxy- 6- methylheptan- 2- yl)- 1- [(2E)- 3- phenylprop- 2- en- 1- yl]piperidine- 4- carboxamide
Smiles: CC(NC(=O)C1CCN(CC1)C/C=C/c1ccccc1)CCCC(O)(C)C

STK062813
Synonyms: 3- bromo- 4- methoxy- N- {[2- (phenylcarbamothioyl)hydrazinyl]carbonothioyl}benzamide
Smiles: COc1ccc(cc1Br)C(=O)NC(=S)NNC(=S)Nc1ccccc1

STK062818
Synonyms: 6- [(E)- 2- (3,4- dimethoxyphenyl)ethenyl]- 1,3- dimethyl- 5- nitropyrimidine- 2,4(1H,3H)- dione
Smiles: COc1ccc(cc1OC)/C=C/c1n(C)c(=O)n(c(=O)c1[N+](=O)[O-])C

STK062836
Synonyms: N- [2- (dimethylamino)ethyl]- 3- (thiophen- 2- yl)benzamide
Smiles: CN(CCNC(=O)c1cccc(c1)c1cccs1)C

STK062838
Synonyms: {1- [4- (benzyloxy)- 3- methoxybenzyl]piperidin- 4- yl}(1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)methanone
Smiles: COc1cc(ccc1OCc1ccccc1)CN1CCC(CC1)C(=O)N1CC2(CC1CC(C2)(C)C)C

STK062869
Synonyms: N- (1- heptyl- 1H- benzimidazol- 2- yl)acetamide
Smiles: CCCCCCCn1c(NC(=O)C)nc2c1cccc2

STK062872
Synonyms: (4- {(E)- [(2,4- dichlorophenyl)imino]methyl}- 5- hydroxy- 6- methylpyridin- 3- yl)methyldihydrogenphosphate
Smiles: Clc1ccc(c(c1)Cl)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O

STK062874
Synonyms: N'- [(E)- (3- ethoxy- 4- hydroxyphenyl)methylidene]- 4- hydroxy- 1- methyl- 2- oxo- 1,2- dihydroquinoline- 3- carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2c(O)c3ccccc3n(c2=O)C)ccc1O

STK062875
Synonyms: 5- (2- chloroethoxy)- 1- [2- (4- chloro- 2- fluoro- 5- hydroxyphenyl)propan- 2- yl]- 3,4- dimethyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: ClCCOC1C(=C(C(=O)N1C(c1cc(O)c(cc1F)Cl)(C)C)C)C

STK062884
Synonyms: 2- (4- chloro- 3- methylphenoxy)- N'- [(1E)- 1- (1- hydroxynaphthalen- 2- yl)ethylidene]acetohydrazide
Smiles: O=C(COc1ccc(c(c1)C)Cl)N/N=C(/c1ccc2c(c1O)cccc2)\C

STK062889
Synonyms: ethyl(2Z)- (hydroxyimino)(1H- indol- 3- yl)ethanoate
Smiles: CCOC(=O)/C(=N\O)/c1c[nH]c2c1cccc2

STK062890
Synonyms: 3- chloro- N- (3- methylpyridin- 2- yl)benzamide
Smiles: Clc1cccc(c1)C(=O)Nc1ncccc1C

STK062909
Synonyms: N- [3- (diethylamino)propyl]- N'- (2- phenylethyl)butanediamide
Smiles: CCN(CCCNC(=O)CCC(=O)NCCc1ccccc1)CC

STK062912
Synonyms: ethyl(5- amino- 1,3,4- thiadiazol- 2- yl)acetate
Smiles: CCOC(=O)Cc1nnc(s1)N

STK062917
Synonyms: N- (furan- 2- ylmethyl)- N- [(2,4,6- trimethylcyclohex- 3- en- 1- yl)methyl]acetamide
Smiles: CC1=CC(C(C(C1)C)CN(C(=O)C)Cc1ccco1)C

STK062922
Synonyms: 3- [(E)- {2- [(4- chloro- 2- nitrophenoxy)acetyl]hydrazinylidene}methyl]phenyl3- fluorobenzoate
Smiles: O=C(COc1ccc(cc1[N+](=O)[O-])Cl)N/N=C/c1cccc(c1)OC(=O)c1cccc(c1)F

STK062972
Synonyms: 2- (2- hydroxy- 3- methoxyphenyl)- 7- methyl- 2,3,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: COc1cccc(c1O)C1NC(=O)c2c(N1)sc1c2CCN(C1)C

STK062973
Synonyms: 1- (2- hydroxy- 3- methoxybenzyl)- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1cccc(c1O)OC)C

STK062977
Synonyms: 5- (4- methoxyphenyl)- 1- (2- methylphenyl)- 3- phenyl- 4,5- dihydro- 1H- pyrazole
Smiles: COc1ccc(cc1)C1CC(=NN1c1ccccc1C)c1ccccc1

STK063019
Synonyms: 4- (phenylcarbonyl)- 1- (prop- 2- en- 1- ylsulfanyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: C=CCSc1nnc2n1c1sc3c(c1c(=O)n2C(=O)c1ccccc1)CCCC3

STK063021
Synonyms: 2- cyclopentyl- 5,7- dimethyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: O=C1C2(C)CN3CC1(C)CN(C2)[C@@H]3C1CCCC1

STK063028
Synonyms: {[6,6- dimethyl- 3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetonitrile
Smiles: N#CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC(OC3)(C)C

STK063029
Synonyms: 4- {[(E)- (2- ethoxyphenyl)methylidene]amino}- N- (4- fluorophenyl)benzenesulfonamide
Smiles: CCOc1ccccc1/C=N/c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)F

STK063043
Synonyms: sodium(4- methoxy- 6- methylpyrimidin- 2- yl)(phenylsulfonyl)azanide
Smiles: COc1cc(C)nc(n1)N(S(=O)(=O)c1ccccc1)[Na]

STK063072
Synonyms: ethyl(2Z)- 5- (2,5- dimethoxyphenyl)- 2- (furan- 2- ylmethylidene)- 3- oxo- 7- propyl- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCCC1=C(C(=O)OCC)C(n2c(=N1)s/c(=C\c1ccco1)/c2=O)c1cc(OC)ccc1OC

STK063087
Synonyms: N- {3- [(4- methoxyphenyl)carbamoyl]- 4- methyl- 5- phenylthiophen- 2- yl}furan- 2- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(sc(c1C)c1ccccc1)NC(=O)c1ccco1

STK063095
Synonyms: 1- (4- chlorophenyl)- 2- {[5- ({2- oxo- 2- [4- (phenylsulfanyl)phenyl]ethyl}sulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc(s1)SCC(=O)c1ccc(cc1)Sc1ccccc1

STK063112
Synonyms: 5- chloro- 8- (prop- 2- yn- 1- yloxy)quinoline
Smiles: C#CCOc1ccc(c2c1nccc2)Cl

STK063158
Synonyms: 4- [(4- methoxyphenyl)carbonyl]piperazin- 2- one
Smiles: COc1ccc(cc1)C(=O)N1CCNC(=O)C1

STK063160
Synonyms: ethyl6- amino- 4- (2- chloro- 6- fluorophenyl)- 5- cyano- 2- phenyl- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(OC(=C(C1c1c(F)cccc1Cl)C#N)N)c1ccccc1

STK063161
Synonyms: N- ethyl- 5- (4- methoxyphthalazin- 1- yl)- 2- methylbenzenesulfonamide
Smiles: CCNS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)OC

STK063168
Synonyms: N'- (4- nitrophenyl)- 2- (phenylcarbonyl)benzohydrazide
Smiles: O=C(c1ccccc1C(=O)NNc1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK063191
Synonyms: 5,7- di(propan- 2- yl)- 6H- spiro[1,3- diazatricyclo[3.3.1.1~3,7~]decane- 2,3'- indole]- 2',6(1'H)- dione
Smiles: O=C1Nc2c(C31N1CC4(CN3CC(C1)(C4=O)C(C)C)C(C)C)cccc2

STK063199
Synonyms: 6- methyl- 2- [(E)- 2- (4- propoxyphenyl)ethenyl]- 2,3- dihydro- 1,3- benzoxazole
Smiles: CCCOc1ccc(cc1)/C=C/C1Nc2c(O1)cc(cc2)C

STK063218
Synonyms: N- (3- fluoro- 2- methylphenyl)- 2- ({5- [(3- methylphenoxy)methyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)acetamide
Smiles: Cc1cccc(c1)OCc1nnc(o1)SCC(=O)Nc1cccc(c1C)F

STK063220
Synonyms: 2,7- diamino- 5- hydroxy- 8,8- dimethyl- 4- (pyridin- 3- yl)- 7,8- dihydro- 4H- pyrano[2',3':3,4]pyrazolo[1,5- c]pyrimidine- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccnc1)c1C(=CN(C(n1n2)(C)C)N)O

STK063229
Synonyms: 2- [(6,6- dimethyl- 4- oxo- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- [(1- phenylcyclopentyl)methyl]acetamide
Smiles: O=C(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C)NCC1(CCCC1)c1ccccc1

STK063230
Synonyms: N- benzyl- 2- {3- chloro- 4- [(6- methylheptyl)oxy]phenyl}acetamide
Smiles: CC(CCCCCOc1ccc(cc1Cl)CC(=O)NCc1ccccc1)C

STK063251
Synonyms: N- [5- (2- ethoxyethyl)- 1,3,4- thiadiazol- 2- yl]acetamide
Smiles: CCOCCc1nnc(s1)NC(=O)C

STK063261
Synonyms: (2Z)- N- (4- methoxyphenyl)- 2- [(2- methoxyphenyl)imino]- 3- methyl- 4- oxo- 1,3- thiazinane- 6- carboxamide
Smiles: COc1ccc(cc1)NC(=O)C1CC(=O)N(/C(=N/c2ccccc2OC)/S1)C

STK063264
Synonyms: N- (2,4- dichlorophenyl)- 4- hydroxy- 1- methyl- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: Clc1ccc(c(c1)Cl)NC(=O)c1c(O)c2ccccc2n(c1=O)C

STK063268
Synonyms: 2- (4- ethoxyphenyl)- 2,3- dihydro- 4H- 1,3- benzoxazin- 4- one
Smiles: CCOc1ccc(cc1)C1NC(=O)c2c(O1)cccc2

STK063300
Synonyms: dipotassium3- phenyl- 2- [({4- [(E)- piperidin- 1- yldiazenyl]phenyl}sulfonyl)azanidyl]propanoate
Smiles: [O-]C(=O)C([N-]S(=O)(=O)c1ccc(cc1)/N=N/N1CCCCC1)Cc1ccccc1.[K+].[K+]

STK063332
Synonyms: (3Z)- 1- [(3- methylpiperidin- 1- yl)methyl]- 3- {[3- (trifluoromethyl)phenyl]imino}- 1,3- dihydro- 2H- indol- 2- one
Smiles: CC1CCCN(C1)CN1C(=O)/C(=N\c2cccc(c2)C(F)(F)F)/c2c1cccc2

STK063346
Synonyms: 3,5- dibromo- 2- {[(2,2- dimethylpropanoyl)carbamothioyl]amino}benzoicacid
Smiles: S=C(NC(=O)C(C)(C)C)Nc1c(Br)cc(cc1C(=O)O)Br

STK063348
Synonyms: N'- (5,7- dinitroquinolin- 8- yl)- 4- methylbenzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)NNc1c(cc(c2c1nccc2)[N+](=O)[O-])[N+](=O)[O-]

STK063363
Synonyms: N- (1,3- benzothiazol- 2- yl)- 3,4,5- triethoxybenzamide
Smiles: CCOc1c(OCC)cc(cc1OCC)C(=O)Nc1nc2c(s1)cccc2

STK063420
Synonyms: ethyl7- chloro- 4- oxo- 4H- pyrido[1,2- a]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cnc2n(c1=O)cc(cc2)Cl

STK063443
Synonyms: 4- (3- cyclohexyl- 1,2,4- oxadiazol- 5- yl)phenol
Smiles: Oc1ccc(cc1)c1onc(n1)C1CCCCC1

STK063456
Synonyms: 2- [(E)- 2- (3,4- dihydroquinolin- 1(2H)- yl)ethenyl]- 3- ethyl- 1,3- benzothiazol- 3- ium
Smiles: CC[n+]1c(/C=C/N2CCCc3c2cccc3)sc2c1cccc2

STK063457
Synonyms: 1,1',6,6',7,7'- hexahydroxy- 3,3'- dimethyl- 5,5'- di(propan- 2- yl)- 2,2'- binaphthalene- 8,8'- dicarbaldehyde
Smiles: O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C

STK063471
Synonyms: 7- (2- fluorophenyl)- 5- methyl- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: CC1=CC(n2c(N1)ncn2)c1ccccc1F

STK063493
Synonyms: N,N'- bis[(E)- 1H- indol- 3- ylmethylidene]- 2- nitrobenzene- 1,4- diamine
Smiles: [O-][N+](=O)c1cc(ccc1/N=C/c1c[nH]c2c1cccc2)/N=C/c1c[nH]c2c1cccc2

STK063494
Synonyms: 1- [(4- butoxyphenyl)carbonyl]- 1H- indole- 2,3- dione
Smiles: CCCCOc1ccc(cc1)C(=O)N1c2ccccc2C(=O)C1=O

STK063524
Synonyms: N,N'- bis(4- methoxyphenyl)- 6- methylpyrimidine- 2,4- diamine
Smiles: COc1ccc(cc1)Nc1cc(C)nc(n1)Nc1ccc(cc1)OC

STK063545
Synonyms: 4,4'- [benzene- 1,4- diyldi(E)diazene- 2,1- diyl]bis(N,N- dioctylaniline)
Smiles: CCCCCCCCN(c1ccc(cc1)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)N(CCCCCCCC)CCCCCCCC)CCCCCCCC

STK063548
Synonyms: 1- (3- {[(5- amino- 1,3,4- thiadiazol- 2- yl)sulfanyl]methyl}- 2,4,6- trimethylphenyl)ethanone
Smiles: Nc1nnc(s1)SCc1c(C)cc(c(c1C)C(=O)C)C

STK063549
Synonyms: 4,4'- (disulfanediyldi- 1,3,4- oxadiazole- 5,2- diyl)dipyridine
Smiles: n1ccc(cc1)c1nnc(o1)SSc1nnc(o1)c1ccncc1

STK063584
Synonyms: 5- phenyl- 3- {[2- (pyridin- 2- yl)ethyl]amino}cyclohex- 2- en- 1- one
Smiles: O=C1C=C(NCCc2ccccn2)CC(C1)c1ccccc1

STK063590
Synonyms: N- (1- hydroxy- 2- methylpropan- 2- yl)- 1- (2- methoxybenzyl)piperidine- 4- carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1ccccc1OC)(C)C

STK063595
Synonyms: 7,7- dimethyl- 10- (3- nitrophenyl)- 9- oxo- 7,8,9,10- tetrahydro- 6H- indeno[1,2- b]quinolin- 11- ylacetate
Smiles: CC(=O)OC1=C2C(c3cccc(c3)[N+](=O)[O-])C3=C(N=C2c2c1cccc2)CC(CC3=O)(C)C

STK063597
Synonyms: ethyl(2E)- 2- cyano- 3- (2- methyl- 1- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethyl}- 1H- indol- 3- yl)prop- 2- enoate
Smiles: C=CCc1ccccc1OCCn1c2ccccc2c(c1C)/C=C(/C(=O)OCC)\C#N

STK063611
Synonyms: 3- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 1- (3,4- dichlorophenyl)pyrrolidine- 2,5- dione
Smiles: O=C1CC(C(=O)N1c1ccc(c(c1)Cl)Cl)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK063629
Synonyms: 1- [(2E)- 3- phenylprop- 2- en- 1- yl]- N- (prop- 2- en- 1- yl)piperidine- 4- carboxamide
Smiles: C=CCNC(=O)C1CCN(CC1)C/C=C/c1ccccc1

STK063644
Synonyms: N- (5- chloro- 4- methoxy- 6- methylpyrimidin- 2- yl)- 4- methyl- N- propylbenzenesulfonamide
Smiles: CCCN(S(=O)(=O)c1ccc(cc1)C)c1nc(C)c(c(n1)OC)Cl

STK063649
Synonyms: disodium4,5- dihydroxynaphthalene- 2,7- disulfonate
Smiles: [Na]OS(=O)(=O)c1cc2cc(cc(c2c(c1)O)O)S(=O)(=O)O[Na]

STK063677
Synonyms: 1- [3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]- N- (pyridin- 3- ylmethyl)piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F)NCc1cccnc1

STK063685
Synonyms: potassium4- [(E)- piperidin- 1- yldiazenyl]naphthalene- 1- sulfonate
Smiles: [O-]S(=O)(=O)c1ccc(c2c1cccc2)/N=N/N1CCCCC1.[K+]

STK063715
Synonyms: 4- ({[(4- chloro- 3- methylphenoxy)acetyl]carbamothioyl}amino)benzoicacid
Smiles: O=C(NC(=S)Nc1ccc(cc1)C(=O)O)COc1ccc(c(c1)C)Cl

STK063730
Synonyms: N- {(2Z)- 6- chloro- 3- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 2H- chromen- 2- ylidene}- 1,3- thiazol- 2- amine
Smiles: CCc1ccc(cc1)c1csc(n1)c1cc2cc(Cl)ccc2o/c/1=N\c1nccs1

STK063731
Synonyms: 2- hydroxy- 4- (2- methyl- 4- oxo- 5- phenylpyrimidin- 1(4H)- yl)benzoicacid
Smiles: O=c1nc(C)n(cc1c1ccccc1)c1ccc(c(c1)O)C(=O)O

STK063738
Synonyms: N- [4- (2- cyclohexylethoxy)phenyl]- N'- [2- (dimethylamino)ethyl]butanediamide
Smiles: CN(CCNC(=O)CCC(=O)Nc1ccc(cc1)OCCC1CCCCC1)C

STK063822
Synonyms: 1- [2- (4- chlorophenyl)ethyl]- 5- hydroxy- 3,4- dimethyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Clc1ccc(cc1)CCN1C(=O)C(=C(C1O)C)C

STK063829
Synonyms: N'- cyclododecyl- N,N- diphenylbutanediamide
Smiles: O=C(NC1CCCCCCCCCCC1)CCC(=O)N(c1ccccc1)c1ccccc1

STK063838
Synonyms: (5Z)- 5- (3- ethyl- 4,5- dimethyl- 1,3- thiazol- 2(3H)- ylidene)- 3- methyl- 1- phenyl- 2- thioxoimidazolidin- 4- one
Smiles: CCn1/c(=C/2\C(=O)N(C(=S)N2c2ccccc2)C)/sc(c1C)C

STK063848
Synonyms: 2- [(2E)- 2- (3- {[4- (acetylamino)phenoxy]methyl}- 4- methoxybenzylidene)hydrazinyl]benzoicacid
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=N/Nc1ccccc1C(=O)O

STK063849
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- [4- (2- hydroxyethyl)piperazin- 1- yl]acetamide
Smiles: OCCN1CCN(CC1)CC(=O)Nc1cccc(c1C)Cl

STK063858
Synonyms: N- (5- methyl- 1,3,4- thiadiazol- 2- yl)- 2- [(3- phenyl- 1H- 1,2,4- triazol- 5- yl)sulfanyl]acetamide
Smiles: O=C(Nc1nnc(s1)C)CSc1[nH]nc(n1)c1ccccc1

STK063863
Synonyms: 3,4- diethoxy- N- [6- (methylsulfonyl)- 1,3- benzothiazol- 2- yl]benzamide
Smiles: CCOc1cc(ccc1OCC)C(=O)Nc1nc2c(s1)cc(cc2)S(=O)(=O)C

STK063870
Synonyms: methyl4- cyano- 5- {[(diphenylacetyl)carbamothioyl]amino}- 3- methylthiophene- 2- carboxylate
Smiles: COC(=O)c1sc(c(c1C)C#N)NC(=S)NC(=O)C(c1ccccc1)c1ccccc1

STK063890
Synonyms: 3- bromo- 4- methoxy- N- [(4- methylpyridin- 2- yl)carbamothioyl]benzamide
Smiles: COc1ccc(cc1Br)C(=O)NC(=S)Nc1nccc(c1)C

STK063922
Synonyms: (4- chlorophenyl)(2- methylpiperidin- 1- yl)methanone
Smiles: Clc1ccc(cc1)C(=O)N1CCCCC1C

STK063927
Synonyms: 1- (2- ethoxybenzyl)- N- (1- hydroxy- 2- methylpropan- 2- yl)piperidine- 4- carboxamide
Smiles: CCOc1ccccc1CN1CCC(CC1)C(=O)NC(CO)(C)C

STK063930
Synonyms: {2- [(4- methoxyphenyl)amino]quinolin- 4- yl}(piperidin- 1- yl)methanone
Smiles: COc1ccc(cc1)Nc1nc2ccccc2c(c1)C(=O)N1CCCCC1

STK063934
Synonyms: 7- butyl- 3- methyl- 8- {[2- (4- nitrophenyl)- 2- oxoethyl]sulfanyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C

STK063938
Synonyms: N- (5- undecyl- 1,3,4- thiadiazol- 2- yl)dodecanamide
Smiles: CCCCCCCCCCCC(=O)Nc1nnc(s1)CCCCCCCCCCC

STK063954
Synonyms: N- (4- fluorophenyl)- 2- [(6- oxo- 4- phenyl- 1,6- dihydropyrimidin- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nc(cc(=O)[nH]1)c1ccccc1

STK063970
Synonyms: 4,4'- (1- methylcyclopropane- 1,2- diyl)dibiphenyl
Smiles: CC1(CC1c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1

STK063987
Synonyms: (6Z)- 5- imino- 6- (4- {2- [(4- methylphenyl)sulfanyl]ethoxy}benzylidene)- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(cc1)SCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK064028
Synonyms: morpholin- 4- yl(4- phenylcyclohexyl)methanone
Smiles: O=C(N1CCOCC1)C1CCC(CC1)c1ccccc1

STK064029
Synonyms: 4- bromo- N'- [(1E)- 3- phenylprop- 2- yn- 1- ylidene]benzohydrazide
Smiles: Brc1ccc(cc1)C(=O)N/N=C/C#Cc1ccccc1

STK064030
Synonyms: 2- (3,5- di- tert- butyl- 4- hydroxybenzyl)hydrazinecarbothioamide
Smiles: NC(=S)NNCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK064041
Synonyms: N- [5- (imidazo[1,2- a]pyridin- 2- yl)- 4- methyl- 1,3- thiazol- 2- yl]acetamide
Smiles: CC(=O)Nc1sc(c(n1)C)c1nc2n(c1)cccc2

STK064047
Synonyms: 5- (2- hydroxy- 1,3- dioxo- 2,3- dihydro- 1H- inden- 2- yl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(C(=O)N1)C1(O)C(=O)c2c(C1=O)cccc2

STK064058
Synonyms: N,N- diethyl- 3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: CCN(C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F)CC

STK064059
Synonyms: 2,4- dichloro- N,N- dioctylbenzamide
Smiles: CCCCCCCCN(C(=O)c1ccc(cc1Cl)Cl)CCCCCCCC

STK064075
Synonyms: 5- chloro- 4- {[(3,5- dimethoxyphenyl)carbonyl]amino}- 2- methoxybenzoicacid
Smiles: COc1cc(OC)cc(c1)C(=O)Nc1cc(OC)c(cc1Cl)C(=O)O

STK064106
Synonyms: 3- {5- [(E)- {2- [(4- chlorophenoxy)acetyl]hydrazinylidene}methyl]furan- 2- yl}benzoicacid
Smiles: O=C(COc1ccc(cc1)Cl)N/N=C/c1ccc(o1)c1cccc(c1)C(=O)O

STK064131
Synonyms: 1- [(1E)- 1- (4- ethoxyphenyl)- 3- oxo- 3- (piperidin- 1- yl)prop- 1- en- 2- yl]pyridin- 2(1H)- one
Smiles: CCOc1ccc(cc1)/C=C(/n1ccccc1=O)\C(=O)N1CCCCC1

STK064133
Synonyms: 6- methyl- 4- (2- nitrophenyl)- 2- oxo- N- phenyl- 1,2,3,4- tetrahydropyrimidine- 5- carboxamide
Smiles: O=C1NC(=C(C(N1)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1)C

STK064187
Synonyms: 1- (azepan- 1- yl)- 3- (3- nitrophenyl)- 2- (2- oxopyridin- 1(2H)- yl)propane- 1,3- dione
Smiles: O=c1ccccn1C(C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N1CCCCCC1

STK064193
Synonyms: N- {(E)- amino[(5- nitro- 1,3- benzoxazol- 2- yl)amino]methylidene}acetamide
Smiles: N/C(=N\C(=O)C)/Nc1nc2c(o1)ccc(c2)[N+](=O)[O-]

STK064201
Synonyms: 1- (2- fluorophenyl)- 4- [(3- methylthiophen- 2- yl)methyl]piperazine
Smiles: Fc1ccccc1N1CCN(CC1)Cc1sccc1C

STK064210
Synonyms: pyridin- 3- yl2,3- dihydro- 1,4- benzodioxine- 2- carboxylate
Smiles: O=C(C1COc2c(O1)cccc2)Oc1cccnc1

STK064233
Synonyms: 3,3'- [(5- chloro- 2- hydroxyphenyl)methanediyl]bis(4- hydroxy- 2H- chromen- 2- one)
Smiles: Clc1ccc(c(c1)C(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2)O

STK064246
Synonyms: 2- (2- bromophenyl)- 2- oxoethyl3- bromo- 3- phenylpropanoate
Smiles: O=C(CC(c1ccccc1)Br)OCC(=O)c1ccccc1Br

STK064256
Synonyms: 1- (5- butyl- 1,3,4- thiadiazol- 2- yl)- 3- (3,4- dimethylphenyl)urea
Smiles: CCCCc1nnc(s1)NC(=O)Nc1ccc(c(c1)C)C

STK064263
Synonyms: 5- ({1- [2- (2- methoxyphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccccc1OCCn1c2ccccc2c(c1C)C=C1C(=O)N(C)C(=O)N(C1=O)C

STK064267
Synonyms: 2- (4- ethylphenyl)- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: CCc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCCC1

STK064325
Synonyms: 2,6- diamino- 4- (1- phenylethyl)- 4H- thiopyran- 3,5- dicarbonitrile
Smiles: CC(C1C(=C(N)SC(=C1C#N)N)C#N)c1ccccc1

STK064329
Synonyms: (3Z)- 5- bromo- 3- (phenylimino)- 1- (piperidin- 1- ylmethyl)- 1,3- dihydro- 2H- inden- 2- one
Smiles: Brc1ccc2c(c1)/C(=N/c1ccccc1)/C(=O)C2CN1CCCCC1

STK064331
Synonyms: 4- [(4E)- 3- methyl- 5- oxo- 4- {[5- (3- oxo- 1,3- dihydro- 2- benzofuran- 5- yl)furan- 2- yl]methylidene}- 4,5- dihydro- 1H- pyrazol- 1- yl]benzenesulfonicacid
Smiles: CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccc2c(c1)C(=O)OC2)c1ccc(cc1)S(=O)(=O)O

STK064377
Synonyms: ethyl(2Z)- 5- (3,4- dimethoxyphenyl)- 7- methyl- 2- [(5- nitrofuran- 2- yl)methylidene]- 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)[N+](=O)[O-])/s2

STK064397
Synonyms: N- [2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 2- oxoethyl]- 3- phenylpropanamide
Smiles: O=C(CCc1ccccc1)NCC(=O)n1nc(cc1C)C

STK064405
Synonyms: 1- (4- methylpiperidin- 1- yl)- 3- (3- nitrophenyl)- 2- (2- oxopyridin- 1(2H)- yl)propane- 1,3- dione
Smiles: CC1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-]

STK064412
Synonyms: 3'- (4- chlorophenyl)- 4'H- spiro[indole- 3,2'- [1,3]thiazolidine]- 2,4'(1H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)CSC21C(=O)Nc1c2cccc1

STK064424
Synonyms: (2E)- 3- {3- chloro- 4- [2- (4- methoxyphenoxy)ethoxy]phenyl}- 2- cyano- N- (furan- 2- ylmethyl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(c(c1)Cl)OCCOc1ccc(cc1)OC)/C(=O)NCc1ccco1

STK064429
Synonyms: N'- [(E)- (5- bromo- 2- hydroxy- 3- iodophenyl)methylidene]- 2- [4- (propan- 2- yl)phenoxy]acetohydrazide
Smiles: O=C(COc1ccc(cc1)C(C)C)N/N=C/c1cc(Br)cc(c1O)I

STK064431
Synonyms: 3- methyl- N- (pyridin- 4- yl)butanamide
Smiles: CC(CC(=O)Nc1ccncc1)C

STK064439
Synonyms: N- butyl- 1- [2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 3- oxo- 3- phenylpropanoyl]piperidine- 4- carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1

STK064487
Synonyms: 1- tert- butyl- 5- (tert- butylamino)- 3,4- dimethyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CC1=C(C)C(N(C1=O)C(C)(C)C)NC(C)(C)C

STK064492
Synonyms: N- (4- chlorophenyl)- 6- methyl- 2- {[(3- methylphenyl)carbonyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: CC1CCc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)c1cccc(c1)C

STK064497
Synonyms: N- [5- (4- ethoxyphenyl)- 1,3,4- thiadiazol- 2- yl]- 3- phenylpropanamide
Smiles: CCOc1ccc(cc1)c1nnc(s1)NC(=O)CCc1ccccc1

STK064522
Synonyms: 4- {[3- (naphthalen- 1- ylcarbamoyl)- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl]amino}- 4- oxobutanoicacid
Smiles: O=C(Nc1sc2c(c1C(=O)Nc1cccc3c1cccc3)CCC2)CCC(=O)O

STK064534
Synonyms: prop- 2- en- 1- yl(7- methyl- 5- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl)carbamodithioate
Smiles: Cc1cc(=O)n2c(n1)sc(n2)NC(=S)SCC=C

STK064595
Synonyms: 4,4'- diaminobiphenyl- 3,3'- disulfonicacid
Smiles: Nc1ccc(cc1S(=O)(=O)O)c1ccc(c(c1)S(=O)(=O)O)N

STK064596
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 7,7,9- trimethyl- 1,2,4- triazaspiro[4.5]decane- 3- thione
Smiles: CC1CC(C)(C)CC2(C1)NC(=S)N(N2)c1nc2c(s1)cccc2

STK064618
Synonyms: quinoline- 8- carbaldehyde
Smiles: O=Cc1cccc2c1nccc2

STK064624
Synonyms: (4Z)- 4- {3- chloro- 4- [2- (3,5- dimethylphenoxy)ethoxy]- 5- ethoxybenzylidene}- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CCOc1cc(/C=C\2/C(=NN(C2=O)c2ccccc2)C)cc(c1OCCOc1cc(C)cc(c1)C)Cl

STK064665
Synonyms: 4- fluoro- N- [(E)- (4- methoxynaphthalen- 1- yl)methylidene]aniline
Smiles: COc1ccc(c2c1cccc2)/C=N/c1ccc(cc1)F

STK064666
Synonyms: N- [4- (benzyloxy)phenyl]- 2,5- dichlorobenzenesulfonamide
Smiles: Clc1ccc(c(c1)S(=O)(=O)Nc1ccc(cc1)OCc1ccccc1)Cl

STK064679
Synonyms: (6Z)- 6- (3- chlorobenzylidene)- 5- imino- 2- (propan- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1cccc(c1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C

STK064693
Synonyms: (6Z)- 6- {4- [2- (3,4- dimethylphenoxy)ethoxy]- 3- ethoxy- 5- iodobenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(c(c1)C)C)I)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK064713
Synonyms: N- {4- [(2Z)- 2- {1- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 3- (4- nitrophenyl)- 5- oxo- 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)c1ccc(cc1)C)c1ccc(cc1)[N+](=O)[O-]

STK064758
Synonyms: 1- amino- 7,7- dimethyl- 1,6,7,9- tetrahydro- 5H- imidazo[1,2- a]pyrano[4',3':4,5]thieno[2,3- d]pyrimidine- 2,5(3H)- dione
Smiles: O=C1Cn2c(N1N)nc1c(c2=O)c2CC(C)(C)OCc2s1

STK064782
Synonyms: 4b,9b- dihydroxy- 4b,9b- dihydro- 10H- benzo[b]indeno[2,1- d]furan- 10- one
Smiles: O=C1c2ccccc2C2(C1(O)c1ccccc1O2)O

STK064788
Synonyms: dimethyl2- {[(E)- (4- cyano- 1- hydroxy- 3- methylpyrido[1,2- a]benzimidazol- 2- yl)methylidene]amino}benzene- 1,4- dicarboxylate
Smiles: COC(=O)c1ccc(cc1/N=C/c1c(C)c(C#N)c2n(c1O)c1ccccc1n2)C(=O)OC

STK064798
Synonyms: N- (5- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 1,3,4- thiadiazol- 2- yl)- 3- phenylpropanamide
Smiles: O=C(Nc1nnc(s1)SCC(=O)c1ccc(cc1)Br)CCc1ccccc1

STK064807
Synonyms: (1Z)- 2- {4- [(5- methylhexyl)oxy]phenyl}- N'- (4H- 1,2,4- triazol- 4- yl)ethanimidamide
Smiles: CC(CCCCOc1ccc(cc1)C/C(=N/n1cnnc1)/N)C

STK064826
Synonyms: 2- (4- chloro- 3- methylphenoxy)- N- [(4- methylpyridin- 2- yl)carbamothioyl]acetamide
Smiles: O=C(NC(=S)Nc1nccc(c1)C)COc1ccc(c(c1)C)Cl

STK064835
Synonyms: 4- (morpholin- 4- yl)- 4- oxo- N- (pyridin- 3- yl)butanamide
Smiles: O=C(Nc1cccnc1)CCC(=O)N1CCOCC1

STK064850
Synonyms: 4b,9b- dihydroxy- 1,4b,9b,10- tetrahydroindeno[2',1':4,5]pyrrolo[2,3- d]pyrimidine- 2,4,5(3H)- trione
Smiles: O=c1[nH]c2NC3(C(c2c(=O)[nH]1)(O)C(=O)c1c3cccc1)O

STK064854
Synonyms: (3Z,3'Z)- 3,3'- [methanediylbis(benzene- 4,1- diylnitrilo)]bis(1,3- dihydro- 2H- indol- 2- one)
Smiles: O=C1Nc2c(/C/1=N/c1ccc(cc1)Cc1ccc(cc1)/N=C/1\C(=O)Nc3c1cccc3)cccc2

STK064868
Synonyms: (6Z)- 5- imino- 6- [4- (propan- 2- yl)benzylidene]- 2- propyl- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCCc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)C(C)C)/C2=N)s1

STK064906
Synonyms: (6Z)- 2- butyl- 5- imino- 6- [3- methoxy- 4- (naphthalen- 1- ylmethoxy)benzylidene]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCCCc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)OC)OCc3cccc4c3cccc4)/C2=N)s1

STK064909
Synonyms: (2Z)- 2- (propan- 2- ylimino)- 2H- chromene- 3- carboxamide
Smiles: CC(/N=c/1\oc2ccccc2cc1C(=O)N)C

STK064913
Synonyms: 3- (butan- 2- yloxy)- 2- (3- methylbutyl)- 2,3- dihydro- 1H- isoindol- 1- one
Smiles: CCC(OC1N(CCC(C)C)C(=O)c2c1cccc2)C

STK064916
Synonyms: 2- (hex- 1- yn- 1- yl)- 5,5,6- trimethylbicyclo[2.2.1]hept- 2- ylmethylether
Smiles: CCCCC#CC1(OC)CC2CC1C(C2(C)C)C

STK064933
Synonyms: 1,8- dihydroxy- 4,5- bis(methylamino)anthracene- 9,10- dione
Smiles: CNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1NC)O

STK064934
Synonyms: 2- [(2- aminoethyl)sulfanyl]- 3- benzyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: NCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3

STK064950
Synonyms: 1H- benzimidazol- 1- yl(furan- 2- yl)methanone
Smiles: O=C(n1cnc2c1cccc2)c1ccco1

STK064973
Synonyms: N- (4- chlorophenyl)- 2- {(2Z)- 2- [(3,4- dimethylphenyl)imino]- 4- oxo- 1,3- thiazolidin- 5- yl}acetamide
Smiles: O=C(CC1S/C(=N\c2ccc(c(c2)C)C)/NC1=O)Nc1ccc(cc1)Cl

STK065008
Synonyms: N- (butan- 2- yl)- 1,3- benzodioxole- 5- carboxamide
Smiles: CCC(NC(=O)c1ccc2c(c1)OCO2)C

STK065023
Synonyms: 4- methyl- N- [4- (naphthalen- 1- ylcarbamoyl)phenyl]benzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1cccc2c1cccc2

STK065026
Synonyms: (4- methoxyphenyl)[1- methyl- 2- (methylsulfanyl)- 4- phenyl- 4,5- dihydro- 1H- imidazol- 5- yl]methanone
Smiles: COc1ccc(cc1)C(=O)C1N(C)C(=NC1c1ccccc1)SC

STK065035
Synonyms: 7- (diethylamino)- 3- [5- (2- methoxyphenyl)- 1,3,4- oxadiazol- 2- yl]- 2H- chromen- 2- one
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)c1nnc(o1)c1ccccc1OC)CC

STK065048
Synonyms: N'- [(1E)- 1- (5- bromothiophen- 2- yl)ethylidene]- 2- (2- methylphenoxy)acetohydrazide
Smiles: O=C(COc1ccccc1C)N/N=C(/c1ccc(s1)Br)\C

STK065054
Synonyms: 11- phenylimidazo[1,2- b]phenanthro[9,10- e][1,2,4]triazine
Smiles: c1ccc(cc1)c1nc2n(c1)nc1c(n2)c2ccccc2c2c1cccc2

STK065067
Synonyms: 3- (4- chlorophenyl)- 2,5- dimethylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(C)cc2N

STK065091
Synonyms: 2- (3- {(E)- [1- (2- fluorobenzyl)- 2,5- dioxoimidazolidin- 4- ylidene]methyl}- 1H- indol- 1- yl)- N- (3- methylphenyl)acetamide
Smiles: Cc1cccc(c1)NC(=O)Cn1cc(c2c1cccc2)/C=C\1/NC(=O)N(C1=O)Cc1ccccc1F

STK065092
Synonyms: 2- {[(E)- (2- hydroxyphenyl)methylidene]amino}- 4- propylphenol
Smiles: CCCc1ccc(c(c1)/N=C/c1ccccc1O)O

STK065102
Synonyms: 5- amino- 1,3- diphenyl- 1H- pyrazole- 4- carbonitrile
Smiles: N#Cc1c(nn(c1N)c1ccccc1)c1ccccc1

STK065155
Synonyms: N'- (2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)- 2,3- dihydro- 1,4- benzodioxine- 2- carbohydrazide
Smiles: O=C1NC(=O)C(=NNC(=O)C2COc3c(O2)cccc3)C(=O)N1

STK065175
Synonyms: N- [(4- methylpyridin- 2- yl)carbamothioyl]- 2- phenoxyacetamide
Smiles: O=C(NC(=S)Nc1nccc(c1)C)COc1ccccc1

STK065179
Synonyms: 4- [(4E)- 3- methyl- 5- oxo- 4- {[5- (3- oxo- 1,3- dihydro- 2- benzofuran- 5- yl)furan- 2- yl]methylidene}- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccc2c(c1)C(=O)OC2)c1ccc(cc1)C(=O)O

STK065183
Synonyms: N'- {2,5- dimethoxy- 4- [(phenylcarbonyl)amino]phenyl}- N,N- dimethylbutanediamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)CCC(=O)N(C)C)OC

STK065204
Synonyms: [4- (4- benzylphenyl)- 2- methyl- 1,3- thiazol- 5- yl]aceticacid
Smiles: OC(=O)Cc1sc(nc1c1ccc(cc1)Cc1ccccc1)C

STK065225
Synonyms: N- [5- (2,2- dimethylpropyl)- 1,3,4- thiadiazol- 2- yl]- 3,4- dimethylbenzamide
Smiles: O=C(c1ccc(c(c1)C)C)Nc1nnc(s1)CC(C)(C)C

STK065237
Synonyms: 4- benzyl- N- [(E)- (2- methylphenyl)methylidene]piperazin- 1- amine
Smiles: Cc1ccccc1/C=N/N1CCN(CC1)Cc1ccccc1

STK065245
Synonyms: methyl2- {[(2E)- 4- methoxy- 4- oxobut- 2- enoyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)/C=C/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

STK065258
Synonyms: 3,3,6,6- tetramethyl- 10- (4- methylphenyl)- 9- (1- methyl- 1H- pyrazol- 4- yl)decahydroacridine- 1,8(2H,5H)- dione
Smiles: O=C1CC(C)(C)CC2C1C(c1cnn(c1)C)C1C(=O)CC(CC1N2c1ccc(cc1)C)(C)C

STK065274
Synonyms: 2- (4- chlorophenyl)- 5- methyl- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)c1nn2c(c1)nc(cc2C(F)(F)F)C

STK065302
Synonyms: N- (2- chloro- 6- fluorobenzyl)- 4- methyl- N- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(Cc1c(F)cccc1Cl)CC(=O)N1CCCC1

STK065304
Synonyms: 2- tert- butyl- 5- (4- hydroxy- 3- nitrobenzylidene)- 2- methyl- 1,3- dioxane- 4,6- dione
Smiles: O=C1OC(C)(OC(=O)/C/1=C\c1ccc(c(c1)[N+](=O)[O-])O)C(C)(C)C

STK065308
Synonyms: 1- {(E)- amino[(6- ethoxy- 4- methylquinazolin- 2- yl)amino]methylidene}- 3- cyclohexylurea
Smiles: CCOc1ccc2c(c1)c(C)nc(n2)N/C(=N/C(=O)NC1CCCCC1)/N

STK065323
Synonyms: ethyl1- [3- (benzyloxy)benzyl]piperidine- 2- carboxylate
Smiles: CCOC(=O)C1CCCCN1Cc1cccc(c1)OCc1ccccc1

STK065343
Synonyms: N- [(E)- pyridin- 3- ylmethylidene]pyridin- 2- amine
Smiles: c1ccc(nc1)/N=C/c1cccnc1

STK065349
Synonyms: ethyl(2E)- 2- [2- ({[(4- ethoxyphenyl)sulfonyl](4- methylphenyl)amino}acetyl)hydrazinylidene]cyclopentanecarboxylate(non- preferredname)
Smiles: CCOC(=O)C1CCC/C/1=N\NC(=O)CN(S(=O)(=O)c1ccc(cc1)OCC)c1ccc(cc1)C

STK065351
Synonyms: 2- methyl- 2- [(4- phenylbutan- 2- yl)amino]propanenitrile
Smiles: CC(NC(C#N)(C)C)CCc1ccccc1

STK065352
Synonyms: 2- [(bromoacetyl)amino]- N- (2- ethoxyphenyl)- 5,6,7,8- tetrahydro- 4H- cyclohepta[b]thiophene- 3- carboxamide
Smiles: CCOc1ccccc1NC(=O)c1c(NC(=O)CBr)sc2c1CCCCC2

STK065381
Synonyms: 4- [(E)- 2- phenylethenyl]aniline
Smiles: Nc1ccc(cc1)/C=C/c1ccccc1

STK065398
Synonyms: (4Z)- 2- acetyl- 5- chloro- N- (4- methoxyphenyl)hex- 4- enamide
Smiles: COc1ccc(cc1)NC(=O)C(C(=O)C)C/C=C(\Cl)/C

STK065438
Synonyms: ethyl{5- [(phenylcarbamoyl)amino]- 1,3,4- thiadiazol- 2- yl}acetate
Smiles: CCOC(=O)Cc1nnc(s1)NC(=O)Nc1ccccc1

STK065444
Synonyms: 3,4- dimethyl- 1- (1,2,3,4- tetrahydronaphthalen- 1- yl)- 5- [(thiophen- 2- ylmethyl)amino]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CC1=C(C)C(N(C1=O)C1CCCc2c1cccc2)NCc1cccs1

STK065453
Synonyms: N'- (3- cyclohexyl- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)- 4- (2- methylpropoxy)benzohydrazide
Smiles: CC(COc1ccc(cc1)C(=O)NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3)C

STK065455
Synonyms: 2- [(5- methyl- 1,4- diphenyl- 1H- imidazol- 2- yl)sulfanyl]- N- (2- phenylethyl)acetamide
Smiles: O=C(CSc1nc(c(n1c1ccccc1)C)c1ccccc1)NCCc1ccccc1

STK065467
Synonyms: 2- phenylproline
Smiles: OC(=O)C1(CCCN1)c1ccccc1

STK065469
Synonyms: 2- (1H- indol- 1- yl)- N'- [(1Z)- 1- (thiophen- 2- yl)ethylidene]acetohydrazide
Smiles: O=C(Cn1ccc2c1cccc2)N/N=C(\c1cccs1)/C

STK065492
Synonyms: (2E)- N- (4- methoxybenzyl)- 2- {1- [4- (2- methylpropoxy)phenyl]ethylidene}hydrazinecarbothioamide
Smiles: COc1ccc(cc1)CNC(=S)N/N=C(/c1ccc(cc1)OCC(C)C)\C

STK065501
Synonyms: bis(1,2- dimethyl- 1H- indol- 3- yl)mercury
Smiles: Cn1c(C)c(c2c1cccc2)[Hg]c1c(C)n(c2c1cccc2)C

STK065520
Synonyms: N- [(4- methylphenyl)sulfonyl]histidine
Smiles: OC(=O)C(NS(=O)(=O)c1ccc(cc1)C)Cc1[nH]cnc1

STK065576
Synonyms: 1- {5- [(2- chlorophenoxy)methyl]- 1,3,4- thiadiazol- 2- yl}- 3- (4- methoxyphenyl)urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)COc1ccccc1Cl

STK065578
Synonyms: 4- (2- {[5- (benzyloxy)- 2- methyl- 1H- indol- 3- yl]acetyl}hydrazinyl)- N- (4- cyanophenyl)- 4- oxobutanamide
Smiles: N#Cc1ccc(cc1)NC(=O)CCC(=O)NNC(=O)Cc1c(C)[nH]c2c1cc(OCc1ccccc1)cc2

STK065588
Synonyms: 4- (trifluoromethoxy)- N- [(E)- (2,4,6- trimethylphenyl)methylidene]aniline
Smiles: Cc1cc(C)c(c(c1)C)/C=N/c1ccc(cc1)OC(F)(F)F

STK065607
Synonyms: (2E)- 3- {3- bromo- 4- [(2,4- dichlorobenzyl)oxy]- 5- methoxyphenyl}- 2- cyano- N- (3,4- dimethylphenyl)prop- 2- enamide
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)OC)OCc1ccc(cc1Cl)Cl)/C(=O)Nc1ccc(c(c1)C)C

STK065609
Synonyms: 4- [(1,1,1,3,3,3- hexafluoropropan- 2- yl)oxy]- 6- (morpholin- 4- yl)- N- phenyl- 1,3,5- triazin- 2- amine
Smiles: FC(C(C(F)(F)F)Oc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)(F)F

STK065652
Synonyms: N- [(6- tert- butyl- 3- cyano- 4,5,6,7- tetrahydrothieno[2,3- c]pyridin- 2- yl)carbamothioyl]benzamide
Smiles: N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCN(C2)C(C)(C)C

STK065669
Synonyms: N'- (2,4- dinitrophenyl)- 4'- (trifluoromethyl)biphenyl- 2- carbohydrazide
Smiles: O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK065673
Synonyms: N- [4- (4- benzylphenyl)- 5- methyl- 1,3- thiazol- 2- yl]- 6- bromo- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: Brc1ccc2c(c1)cc(c(=O)o2)C(=O)Nc1sc(c(n1)c1ccc(cc1)Cc1ccccc1)C

STK065684
Synonyms: (4E)- 4- [2- (4- chlorophenyl)hydrazinylidene]- 5- methyl- 2- (4- nitrophenyl)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Clc1ccc(cc1)N/N=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C

STK065693
Synonyms: N- methyl- 4- nitrobenzamide- 4- chloro- 2- (iminomethyl)phenol(1:1)
Smiles: CNC(=O)c1ccc(cc1)[N+](=O)[O-].N=Cc1cc(Cl)ccc1O

STK065702
Synonyms: 2- benzyl- 1,2,3,4,4a,9b- hexahydro- 5H- indeno[1,2- c]pyridin- 5- one
Smiles: O=C1C2CCN(CC2c2c1cccc2)Cc1ccccc1

STK065728
Synonyms: 2- ({[4- (3,4- dimethoxyphenyl)- 5- propyl- 1,3- thiazol- 2- yl]amino}methyl)phenol
Smiles: CCCc1sc(nc1c1ccc(c(c1)OC)OC)NCc1ccccc1O

STK065735
Synonyms: N- [3- (morpholin- 4- yl)propyl]- 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-])NCCCN1CCOCC1

STK065753
Synonyms: 11- methyl- N- [2- (trifluoromethyl)phenyl]- 9,10- dihydro- 9,10- ethanoanthracene- 11- carboxamide
Smiles: O=C(C1(C)CC2c3c(C1c1c2cccc1)cccc3)Nc1ccccc1C(F)(F)F

STK065828
Synonyms: N,N,N- triethyl- 2- oxo- 2- (9- oxo- 1,2,3,3a- tetrahydropyrrolo[2,1- b]quinazolin- 4(9H)- yl)ethanaminium
Smiles: CC[N+](CC(=O)N1C2CCCN2C(=O)c2c1cccc2)(CC)CC

STK065846
Synonyms: N- butyl- 1- (3- methoxybenzyl)piperidine- 4- carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)Cc1cccc(c1)OC

STK065853
Synonyms: methyl(4- hydroxy- 3- methoxyphenyl){[(5- propoxy- 1H- indol- 2- yl)carbonyl]amino}acetate
Smiles: CCCOc1ccc2c(c1)cc([nH]2)C(=O)NC(c1ccc(c(c1)OC)O)C(=O)OC

STK065869
Synonyms: 1- (1,3- thiazolidin- 2- yl)butane- 1,2,3,4- tetrol
Smiles: OCC(C(C(C1NCCS1)O)O)O

STK065879
Synonyms: N,N'- [(2,2',3,3',5,5',6,6'- octafluorobiphenyl- 4,4'- diyl)bis(oxybenzene- 3,1- diyl)]bis(2,2,2- trifluoroacetamide)
Smiles: O=C(C(F)(F)F)Nc1cccc(c1)Oc1c(F)c(F)c(c(c1F)F)c1c(F)c(F)c(c(c1F)F)Oc1cccc(c1)NC(=O)C(F)(F)F

STK065884
Synonyms: [1- (4- methoxybenzyl)piperidin- 4- yl](4- methylpiperidin- 1- yl)methanone
Smiles: COc1ccc(cc1)CN1CCC(CC1)C(=O)N1CCC(CC1)C

STK065922
Synonyms: N'- (2- cyanocyclopent- 1- en- 1- yl)- N,N- dimethylimidoformamide
Smiles: N#CC1=C(CCC1)/N=C/N(C)C

STK065928
Synonyms: N- (4- ethylphenyl)- 1H- 1,2,4- triazole- 3- carboxamide
Smiles: CCc1ccc(cc1)NC(=O)c1n[nH]cn1

STK065933
Synonyms: dimethyl2- [(3,3- dimethylbutanoyl)amino]benzene- 1,4- dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)CC(C)(C)C)C(=O)OC

STK065934
Synonyms: 5- [(2- cyclohexylpropan- 2- yl)peroxy]- 5- methylhex- 3- yn- 2- one
Smiles: CC(=O)C#CC(OOC(C1CCCCC1)(C)C)(C)C

STK065973
Synonyms: 3- (5- {(Z)- [5- imino- 2- (2- methylpropyl)- 7- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}furan- 2- yl)benzoicacid
Smiles: CC(Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3cccc(c3)C(=O)O)/C2=N)s1)C

STK065979
Synonyms: N- {1- [1- (diphenylmethyl)- 1H- tetrazol- 5- yl]- 2- methylpropyl}- 4- methylaniline
Smiles: CC(C(c1nnnn1C(c1ccccc1)c1ccccc1)Nc1ccc(cc1)C)C

STK065980
Synonyms: [2- (4- bromophenoxy)ethyl](4,6- dimethylpyrimidin- 2- yl)cyanamide
Smiles: N#CN(c1nc(C)cc(n1)C)CCOc1ccc(cc1)Br

STK065982
Synonyms: 3- benzyl- 4- (cyclohexylamino)- 4- oxobutanoicacid
Smiles: OC(=O)CC(C(=O)NC1CCCCC1)Cc1ccccc1

STK065994
Synonyms: methyl(piperidin- 1- ylmethyl)phosphinicacid
Smiles: CP(=O)(CN1CCCCC1)O

STK066006
Synonyms: N- (1- phenylethyl)- N'- (1,3- thiazol- 2- yl)ethanediamide
Smiles: O=C(C(=O)NC(c1ccccc1)C)Nc1nccs1

STK066052
Synonyms: 1- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 3- phenylpropan- 1- one
Smiles: Cc1nn(c(c1)C)C(=O)CCc1ccccc1

STK066060
Synonyms: N- benzyl- N',N'- dimethyl- N- {[2- (4- nitrophenyl)imidazo[1,2- a]pyridin- 3- yl]methyl}ethane- 1,2- diamine
Smiles: CN(CCN(Cc1c(nc2n1cccc2)c1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)C

STK066072
Synonyms: N- (4- chlorophenyl)- N'- (4- nitrophenyl)butanediamide
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(=O)Nc1ccc(cc1)Cl

STK066119
Synonyms: 2- [(4- chlorophenyl)amino]- 4,6- diphenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(Nc2ccc(cc2)Cl)nc(cc1c1ccccc1)c1ccccc1

STK066165
Synonyms: 3- (prop- 2- en- 1- yl)- 2- (prop- 2- en- 1- ylsulfanyl)- 3,4b,5,6,7,7a- hexahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- imine
Smiles: C=CCSc1nc2SC3C(c2c(=N)n1CC=C)CCC3

STK066179
Synonyms: 2- {[3- (propan- 2- yloxy)propyl]carbamoyl}cyclohex- 1- ene- 1- carboxylicacid
Smiles: CC(OCCCNC(=O)C1=C(CCCC1)C(=O)O)C

STK066193
Synonyms: 4- (azepan- 1- yl)- 4- oxo- N- (tetrahydrofuran- 2- ylmethyl)butanamide
Smiles: O=C(CCC(=O)N1CCCCCC1)NCC1CCCO1

STK066223
Synonyms: N- (2,3,5,6,7,8- hexahydro- 1H- cyclopenta[b]quinolin- 9- yl)- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1c2CCCc2nc2c1CCCC2

STK066250
Synonyms: {4- phenyl- 2- [2- (propan- 2- ylidene)hydrazinyl]- 1,3- thiazol- 5- yl}aceticacid
Smiles: OC(=O)Cc1sc(nc1c1ccccc1)NN=C(C)C

STK066252
Synonyms: 1,4- bis(4,4,8- trimethyl- 1- thioxo- 1,4- dihydro- 5H- [1,2]dithiolo[3,4- c]quinolin- 5- yl)butane- 1,4- dione
Smiles: Cc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)CCC(=O)N1c2ccc(cc2c2c(C1(C)C)ssc2=S)C)(C)C

STK066268
Synonyms: 3,4- dihydroxy- 1- methylquinolin- 2(1H)- one
Smiles: Oc1c(O)c2ccccc2n(c1=O)C

STK066272
Synonyms: 6- (4- hydroxyphenyl)- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: Oc1ccc(cc1)c1cc(=O)[nH]c(=S)[nH]1

STK066277
Synonyms: 2,5- diphenyl- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 3- carbonitrile
Smiles: N#Cc1c(nn2c1nc(cc2C(F)(F)F)c1ccccc1)c1ccccc1

STK066306
Synonyms: 2- (1,3- benzodioxol- 5- ylmethyl)- 1,2,3,4- tetrahydroisoquinoline
Smiles: c1ccc2c(c1)CN(CC2)Cc1ccc2c(c1)OCO2

STK066314
Synonyms: 1- {5- [(E)- 2- (2- chlorophenyl)ethenyl]- 1,3,4- thiadiazol- 2- yl}- 3- (4- methoxyphenyl)urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)/C=C/c1ccccc1Cl

STK066325
Synonyms: 2- methyl- N'- [(2Z)- 1,1,1- trifluoro- 5,5- dimethyl- 4- oxohexan- 2- ylidene]furan- 3- carbohydrazide
Smiles: O=C(C(C)(C)C)C/C(=N/NC(=O)c1ccoc1C)/C(F)(F)F

STK066332
Synonyms: (5E)- 5- (4- {3- [4- (butan- 2- yl)phenoxy]propoxy}- 3- methoxybenzylidene)- 3- (prop- 2- en- 1- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCN1C(=S)S/C(=C/c2ccc(c(c2)OC)OCCCOc2ccc(cc2)C(CC)C)/C1=O

STK066375
Synonyms: N''- {(E)- [4- (dimethylamino)phenyl]methylidene}carbonohydrazonicdiamide
Smiles: CN(c1ccc(cc1)/C=N/N=C(N)N)C

STK066405
Synonyms: N- (2- cyanoethyl)- N- (3- phenylpropyl)- 2,1,3- benzothiadiazole- 4- sulfonamide
Smiles: N#CCCN(S(=O)(=O)c1cccc2c1nsn2)CCCc1ccccc1

STK066407
Synonyms: [2- (6- bromo- 2,1- benzoxazol- 3- yl)ethyl](chloro)mercury
Smiles: Cl[Hg]CCc1onc2c1ccc(c2)Br

STK066411
Synonyms: [1- (4- ethylbenzyl)piperidin- 4- yl](morpholin- 4- yl)methanone
Smiles: CCc1ccc(cc1)CN1CCC(CC1)C(=O)N1CCOCC1

STK066443
Synonyms: (5Z)- 2- imino- 5- (4- methoxy- 3- nitrobenzylidene)- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(cc1[N+](=O)[O-])/C=C/1\SC(=N)NC1=O

STK066464
Synonyms: [(1- benzyl- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 4- yl)(4- bromophenyl)methyl]propanedinitrile
Smiles: N#CC(C(C1C(=NN(C1=O)Cc1ccccc1)C)c1ccc(cc1)Br)C#N

STK066469
Synonyms: N- {5- [(2- phenoxyethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}acetamide
Smiles: CC(=O)Nc1nnc(s1)SCCOc1ccccc1

STK066479
Synonyms: N- (3- bromobenzyl)- N'- [3- (diethylamino)propyl]butanediamide
Smiles: CCN(CCCNC(=O)CCC(=O)NCc1cccc(c1)Br)CC

STK066496
Synonyms: N- tert- butyl- 3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: O=C(C(n1ccccc1=O)C(=O)c1ccc(cc1)F)NC(C)(C)C

STK066498
Synonyms: 4- (2,4- dichlorophenoxy)- N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)butanamide
Smiles: O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)CCCOc1ccc(cc1Cl)Cl

STK066505
Synonyms: 3- (octadecyloxy)phenol
Smiles: CCCCCCCCCCCCCCCCCCOc1cccc(c1)O

STK066555
Synonyms: 3- chloro- N- (3- {[(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]amino}phenyl)benzamide
Smiles: COc1cccc(c1O)/C=N/c1cccc(c1)NC(=O)c1cccc(c1)Cl

STK066557
Synonyms: 3- (2- bromophenyl)- 5- phenyl- 1,2,4- oxadiazole
Smiles: Brc1ccccc1c1noc(n1)c1ccccc1

STK066601
Synonyms: 4- {[(E)- (5- bromo- 2- hydroxyphenyl)methylidene]amino}- N- carbamimidoylbenzenesulfonamide
Smiles: NC(=N)NS(=O)(=O)c1ccc(cc1)/N=C/c1cc(Br)ccc1O

STK066611
Synonyms: 2- (3,4- dimethoxyphenyl)- 6- phenylimidazo[2,1- b][1,3,4]thiadiazole
Smiles: COc1cc(ccc1OC)c1nn2c(s1)nc(c2)c1ccccc1

STK066629
Synonyms: 2- (phenylcarbonyl)- N- (4- sulfamoylphenyl)benzamide
Smiles: O=C(c1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)N)c1ccccc1

STK066641
Synonyms: N- [3- (dimethylamino)- 2,2- dimethylpropyl]- 1- (2- ethoxybenzyl)piperidine- 4- carboxamide
Smiles: CCOc1ccccc1CN1CCC(CC1)C(=O)NCC(CN(C)C)(C)C

STK066650
Synonyms: 5- chloro- 3- methyl- 1- phenyl- 1H- pyrazole- 4- sulfonicacid
Smiles: Cc1nn(c(c1S(=O)(=O)O)Cl)c1ccccc1

STK066704
Synonyms: 7- hydroxy- 1,3- dimethyl- 6- (4- propoxyphenyl)- 1H- pyrrolo[3,2- d]pyrimidine- 2,4(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)c1[nH]c2c(c1O)n(C)c(=O)n(c2=O)C

STK066739
Synonyms: 2- (pyridin- 3- yl)piperidin- 1- amine
Smiles: NN1CCCCC1c1cccnc1

STK066767
Synonyms: ethyl1- (3- ethoxypropyl)- 5- hydroxy- 2- methyl- 1H- benzo[g]indole- 3- carboxylate
Smiles: CCOCCCn1c2c(c(c1C)C(=O)OCC)cc(c1c2cccc1)O

STK066775
Synonyms: N- {4- [(4,6- dimethylpyrimidin- 2- yl)sulfamoyl]phenyl}- 2- (methylamino)benzamide
Smiles: CNc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C

STK066788
Synonyms: 1- {4- [2- hydroxy- 3- (piperidin- 1- yl)propoxy]- 3- methoxyphenyl}propan- 1- ol
Smiles: CCC(c1ccc(c(c1)OC)OCC(CN1CCCCC1)O)O

STK066799
Synonyms: 5,5- dimethyl- 2- [(1- phenylethyl)amino]cyclohex- 2- en- 1- one
Smiles: O=C1CC(C)(C)CC=C1NC(c1ccccc1)C

STK066826
Synonyms: 5- [(Z)- (3- carboxy- 5- methyl- 4- oxocyclohexa- 2,5- dien- 1- ylidene)(2,6- dichloro- 3- sulfophenyl)methyl]- 2- hydroxy- 3- methylbenzoicacid
Smiles: CC1=C/C(=C(/c2c(Cl)ccc(c2Cl)S(=O)(=O)O)\c2cc(C)c(c(c2)C(=O)O)O)/C=C(C1=O)C(=O)O

STK066849
Synonyms: 1- [2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 3- oxo- 3- phenylpropanoyl]- N- (4- methoxybenzyl)piperidine- 4- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1

STK066869
Synonyms: 2- (4- ethylbenzylidene)- 1H- indene- 1,3(2H)- dione
Smiles: CCc1ccc(cc1)/C=C/1\C(=O)c2c(C1=O)cccc2

STK066876
Synonyms: N- (2- hydroxyethyl)piperidine- 4- carboxamide
Smiles: OCCNC(=O)C1CCNCC1

STK066889
Synonyms: 4'- ethylbiphenyl- 4- ylpropylether
Smiles: CCCOc1ccc(cc1)c1ccc(cc1)CC

STK066910
Synonyms: (6Z)- 6- {3- chloro- 5- methoxy- 4- [2- (4- methylphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCOc1ccc(cc1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK066930
Synonyms: 2,4- dibromo- 6- [(E)- ({4- [(4,6- diphenylpyrimidin- 2- yl)amino]phenyl}imino)methyl]phenol
Smiles: Brc1cc(/C=N/c2ccc(cc2)Nc2nc(cc(n2)c2ccccc2)c2ccccc2)c(c(c1)Br)O

STK066940
Synonyms: 6- bromo- 4,8- dimethyl- 2- (methylamino)pyrido[2,3- d]pyrimidin- 7(8H)- one
Smiles: CNc1nc(C)c2c(n1)n(C)c(=O)c(c2)Br

STK066963
Synonyms: 2- tert- butyl- 5- (2- hydroxybenzylidene)- 2- methyl- 1,3- dioxane- 4,6- dione
Smiles: O=C1OC(C)(OC(=O)/C/1=C\c1ccccc1O)C(C)(C)C

STK066976
Synonyms: N- (3,5- dibromopyridin- 2- yl)formamide
Smiles: O=CNc1ncc(cc1Br)Br

STK066983
Synonyms: methylN- {4- [(4- fluorobenzyl)amino]- 4- oxobutanoyl}leucinate
Smiles: COC(=O)C(NC(=O)CCC(=O)NCc1ccc(cc1)F)CC(C)C

STK066992
Synonyms: 3- [4- (difluoromethoxy)phenyl]- 5- (4- propylcyclohexyl)- 1,2,4- oxadiazole
Smiles: CCCC1CCC(CC1)c1onc(n1)c1ccc(cc1)OC(F)F

STK067015
Synonyms: 1- {5- [(3,4- dimethylphenoxy)methyl]- 1,3,4- thiadiazol- 2- yl}- 3- (3,4- dimethylphenyl)urea
Smiles: O=C(Nc1ccc(c(c1)C)C)Nc1nnc(s1)COc1ccc(c(c1)C)C

STK067028
Synonyms: 1H- benzimidazol- 1- yl(4- chloro- 2- nitrophenyl)methanone
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])C(=O)n1cnc2c1cccc2

STK067036
Synonyms: N- (2- ethylhexyl)- N'- [3- (morpholin- 4- yl)propyl]butanediamide
Smiles: CCCCC(CNC(=O)CCC(=O)NCCCN1CCOCC1)CC

STK067062
Synonyms: 4- (acetylamino)- N- [4- (dimethylamino)phenyl]benzamide
Smiles: CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)N(C)C

STK067067
Synonyms: 2- (1,3- benzothiazol- 2- yl)- N- (4,6- dimethylpyrimidin- 2- yl)hydrazinecarboximidamide
Smiles: N=C(Nc1nc(C)cc(n1)C)NNc1nc2c(s1)cccc2

STK067104
Synonyms: N- (5- cyclohexyl- 1,3,4- thiadiazol- 2- yl)- 4- fluorobenzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C1CCCCC1

STK067121
Synonyms: 6- [(2E)- 2- {4- [2- (4- tert- butylphenoxy)ethoxy]- 3- ethoxybenzylidene}hydrazinyl]- N,N- dimethyl- 2- (propan- 2- yl)pyrimidin- 4- amine
Smiles: CCOc1cc(/C=N/Nc2nc(nc(c2)N(C)C)C(C)C)ccc1OCCOc1ccc(cc1)C(C)(C)C

STK067129
Synonyms: 3- {[2- (3,4- dimethoxyphenyl)ethyl]amino}- 2- (1- phenylethyl)- 2,3- dihydro- 1H- isoindol- 1- one
Smiles: COc1ccc(cc1OC)CCNC1N(C(=O)c2c1cccc2)C(c1ccccc1)C

STK067132
Synonyms: 2- [(4- amino- 6- hydroxypyrimidin- 2- yl)sulfanyl]- 1- (2,4,6- trimethylphenyl)ethanone
Smiles: Cc1cc(C)c(c(c1)C)C(=O)CSc1nc(N)cc(n1)O

STK067138
Synonyms: 4- [(4Z)- 3- methyl- 5- oxo- 4- {[5- (4- sulfamoylphenyl)furan- 2- yl]methylidene}- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(o2)c2ccc(cc2)S(=O)(=O)N)/C1=O)C

STK067143
Synonyms: 1- [(2,5- dimethylphenyl)sulfonyl]- 5- nitro- 1H- benzimidazole
Smiles: Cc1ccc(c(c1)S(=O)(=O)n1cnc2c1ccc(c2)[N+](=O)[O-])C

STK067151
Synonyms: 7,9- dimethyl- 11- phenylpyrimido[4',5':3,4]pyrrolo[2,1- c][1,2,4]benzotriazine- 8,10(7H,9H)- dione
Smiles: O=c1n(C)c(=O)n(c2c1c(c1ccccc1)n1c2nnc2c1cccc2)C

STK067152
Synonyms: (3Z)- 3- (2- carbamoylhydrazinylidene)- 1- phenylcyclopentanecarboxylicacid
Smiles: NC(=O)N/N=C\1/CCC(C1)(C(=O)O)c1ccccc1

STK067177
Synonyms: naphtho[2'',3'':4',5'][1,3]thiazolo[3',2':2,3][1,2,4]triazino[5,6- b]indole- 8,13- dione
Smiles: O=C1c2ccccc2C(=O)c2c1sc1n2nc2c(n1)nc1c2cccc1

STK067207
Synonyms: 1H- benzimidazol- 1- yl(biphenyl- 4- yl)methanone
Smiles: O=C(n1cnc2c1cccc2)c1ccc(cc1)c1ccccc1

STK067217
Synonyms: 1- tert- butyl- 4- [(1E)- 2- ethylbuta- 1,3- dien- 1- yl]benzenehydrate
Smiles: CC/C(=C\c1ccc(cc1)C(C)(C)C)/C=C.O

STK067237
Synonyms: 2- (4- bromo- 2- methylphenoxy)- N'- [(2- nitrophenyl)sulfonyl]acetohydrazide
Smiles: O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])COc1ccc(cc1C)Br

STK067248
Synonyms: 5- (2- bromophenyl)- 3- (3,4,5- trimethoxyphenyl)- 1,2,4- oxadiazole
Smiles: COc1cc(cc(c1OC)OC)c1noc(n1)c1ccccc1Br

STK067266
Synonyms: (1E)- 1- [(2E)- 1- (4- bromophenyl)- 3- (4- methoxyphenyl)prop- 2- en- 1- ylidene]- 2- (2,4- dinitrophenyl)hydrazine
Smiles: COc1ccc(cc1)/C=C/C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/c1ccc(cc1)Br

STK067292
Synonyms: N- (1- hydroxy- 2- methylpropan- 2- yl)- 1- (naphthalen- 1- ylmethyl)piperidine- 4- carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1cccc2c1cccc2)(C)C

STK067300
Synonyms: (4- tert- butylphenyl)(5,6- dimethyl- 1H- benzimidazol- 1- yl)methanone
Smiles: Cc1cc2ncn(c2cc1C)C(=O)c1ccc(cc1)C(C)(C)C

STK067314
Synonyms: 3- amino- 2,6- dimethyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC1CCc2c(C1)c1c(s2)nc(n(c1=O)N)C

STK067348
Synonyms:
Smiles: CCOC(=O)C1C(=[S]C2=C1CCCC2)NC(=O)C(Sc1nc(C)cc(n1)C)CC

STK067365
Synonyms: 2- (3- bromophenyl)- 2- oxoethylN'- cyano- N- methylcarbamimidothioate
Smiles: N#C/N=C(/SCC(=O)c1cccc(c1)Br)\NC

STK067370
Synonyms: 5- ethyl- 5- methyl- 2- phenyl- 2,5- dihydro- 1H- pyrazole- 3- thiol
Smiles: CCC1(C)NN(C(=C1)S)c1ccccc1

STK067372
Synonyms: N- (1- acetyl- 2- methyl- 1,2,3,4- tetrahydroquinolin- 4- yl)- 2- methyl- N- phenylpropanamide
Smiles: CC(C(=O)N(C1CC(C)N(c2c1cccc2)C(=O)C)c1ccccc1)C

STK067396
Synonyms: 3,5- dimethyl- N- (3- methylphenyl)- 1H- pyrazole- 1- carbothioamide
Smiles: Cc1cccc(c1)NC(=S)n1nc(cc1C)C

STK067399
Synonyms: 5a,6,7,8,9,10- hexahydroazepino[2,1- b]quinazolin- 12(5H)- one
Smiles: O=C1N2CCCCCC2Nc2c1cccc2

STK067420
Synonyms: (4- bromophenyl){2,8- dimethyl- 4- [(2- methylphenyl)amino]- 3,4- dihydroquinolin- 1(2H)- yl}methanone
Smiles: Brc1ccc(cc1)C(=O)N1C(C)CC(c2c1c(C)ccc2)Nc1ccccc1C

STK067456
Synonyms: 4- (4- chlorophenyl)- 2- sulfanyl- 6- (thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(S)nc(cc1c1ccc(cc1)Cl)c1cccs1

STK067477
Synonyms: 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)- N'- [(1E)- 1- (4- nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C(/c1ccc(cc1)[N+](=O)[O-])\C

STK067512
Synonyms: N'- [(1E)- 1- (6,8- dibromo- 2- oxo- 2H- chromen- 3- yl)ethylidene]pyridine- 3- carbohydrazide
Smiles: Brc1cc(Br)c2c(c1)cc(c(=O)o2)/C(=N/NC(=O)c1cccnc1)/C

STK067518
Synonyms: N- [2- (2- fluorophenyl)- 1,3- benzoxazol- 5- yl]- 3- nitrobenzamide
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Nc1ccc2c(c1)nc(o2)c1ccccc1F

STK067523
Synonyms: 1- (3,5- dimethoxyphenyl)- 3- morpholin- 4- ylthiourea
Smiles: COc1cc(NC(=S)NN2CCOCC2)cc(c1)OC

STK067543
Synonyms: N- [5- (2- {(2E)- 2- [4- (dimethylamino)benzylidene]hydrazinyl}- 2- oxoethyl)- 1,3,4- thiadiazol- 2- yl]- 4- methylbenzamide
Smiles: O=C(Cc1nnc(s1)NC(=O)c1ccc(cc1)C)N/N=C/c1ccc(cc1)N(C)C

STK067616
Synonyms: 3- [(4,6- dichloro- 1,3,5- triazin- 2- yl)amino]benzenesulfonate
Smiles: Clc1nc(Nc2cccc(c2)S(=O)(=O)[O-])nc(n1)Cl

STK067622
Synonyms: 2- (4- bromophenyl)- 2- oxoethylformate
Smiles: O=COCC(=O)c1ccc(cc1)Br

STK067626
Synonyms: 4- ({4- [(E)- (hydroxyimino)methyl]phenoxy}methyl)benzoicacid
Smiles: O/N=C/c1ccc(cc1)OCc1ccc(cc1)C(=O)O

STK067636
Synonyms: potassium4- {(E)- [(2- hydroxyethyl)sulfanyl]diazenyl}benzoate
Smiles: OCCS/N=N/c1ccc(cc1)C(=O)[O-].[K+]

STK067638
Synonyms: 3- {[(E)- (2- chloro- 5- nitrophenyl)methylidene]amino}phenol
Smiles: Oc1cccc(c1)/N=C/c1cc(ccc1Cl)[N+](=O)[O-]

STK067647
Synonyms: 2- {3- [(3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)methyl]- 4- methoxyphenyl}- 1,3- thiazolidine- 4- carboxylicacid
Smiles: COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)C1SCC(N1)C(=O)O

STK067683
Synonyms: pyridin- 2- yl2- chlorobenzoate
Smiles: O=C(c1ccccc1Cl)Oc1ccccn1

STK067684
Synonyms: ethyl4'- (propanoylamino)- 1'H- spiro[cyclopentane- 1,2'- naphthalene]- 3'- carboxylate
Smiles: CCOC(=O)C1=C(NC(=O)CC)c2ccccc2CC21CCCC2

STK067710
Synonyms: 3- (2- chlorophenyl)- 5- (4- hexylphenyl)- 1,2,4- oxadiazole
Smiles: CCCCCCc1ccc(cc1)c1onc(n1)c1ccccc1Cl

STK067711
Synonyms: 2,3- dichloro- 5- ethoxy- 6- hydroxybenzaldehyde
Smiles: CCOc1cc(Cl)c(c(c1O)C=O)Cl

STK067718
Synonyms: 4- (propan- 2- yloxy)- N- {[2- (2,4,6- trichlorophenyl)hydrazinyl]carbonothioyl}benzamide
Smiles: CC(Oc1ccc(cc1)C(=O)NC(=S)NNc1c(Cl)cc(cc1Cl)Cl)C

STK067721
Synonyms: 3- [3- (pyridin- 4- yl)- 1,2,4- oxadiazol- 5- yl]pyridine
Smiles: n1ccc(cc1)c1noc(n1)c1cccnc1

STK067725
Synonyms: N,N- diethyl- N'- (4- nitrophenyl)butanediamide
Smiles: CCN(C(=O)CCC(=O)Nc1ccc(cc1)[N+](=O)[O-])CC

STK067727
Synonyms: 2,5- dimethylhexane- 2,5- diol
Smiles: CC(CCC(O)(C)C)(O)C

STK067736
Synonyms: 6- chloro- 2- methyl- 5- (prop- 2- en- 1- yl)pyrimidin- 4- amine
Smiles: C=CCc1c(N)nc(nc1Cl)C

STK067763
Synonyms: 1- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 2- (3- methylphenoxy)ethanone
Smiles: Cc1cccc(c1)OCC(=O)n1nc(cc1C)C

STK067768
Synonyms: N- (2- hydroxyethyl)- 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]piperidine- 4- carboxamide
Smiles: OCCNC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1

STK067794
Synonyms: (6Z)- 3- (benzylsulfanyl)- 6- (3- bromo- 4- hydroxybenzylidene)- 5- imino- 5,6- dihydro- 7H- [1,2,4]thiadiazolo[4,5- a]pyrimidin- 7- one
Smiles: O=C1N=c2snc(n2C(=N)/C/1=C/c1ccc(c(c1)Br)O)SCc1ccccc1

STK067805
Synonyms: 5- bromo- 1- methyl- 3- (1H- pyrrol- 2- yl)- 1H- indole
Smiles: Brc1ccc2c(c1)c(cn2C)c1ccc[nH]1

STK067816
Synonyms: 1- (4- bromobenzyl)piperidine- 4- carboxylicacid
Smiles: OC(=O)C1CCN(CC1)Cc1ccc(cc1)Br

STK067834
Synonyms: 4- methyl- 3- {5- [(E)- (2- {[3- (trifluoromethyl)phenyl]acetyl}hydrazinylidene)methyl]furan- 2- yl}benzoicacid
Smiles: O=C(Cc1cccc(c1)C(F)(F)F)N/N=C/c1ccc(o1)c1cc(ccc1C)C(=O)O

STK067840
Synonyms: 2- [(2E)- 2- (3- chloro- 4- methoxybenzylidene)hydrazinyl]- 5- nitropyridine
Smiles: COc1ccc(cc1Cl)/C=N/Nc1ccc(cn1)[N+](=O)[O-]

STK067843
Synonyms: N- benzyl- 1- [3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]- N- methylpiperidine- 4- carboxamide
Smiles: Fc1ccc(cc1)C(=O)C(n1ccccc1=O)C(=O)N1CCC(CC1)C(=O)N(Cc1ccccc1)C

STK067852
Synonyms: N'- [3- oxo- 2- (tetrahydrofuran- 2- ylmethyl)- 2,3- dihydro- 1H- isoindol- 1- yl]benzohydrazide
Smiles: O=C(c1ccccc1)NNC1N(CC2CCCO2)C(=O)c2c1cccc2

STK067860
Synonyms: 5- (4- nitrophenyl)- 3- [3- (trifluoromethyl)phenyl]- 1,2,4- oxadiazole
Smiles: [O-][N+](=O)c1ccc(cc1)c1onc(n1)c1cccc(c1)C(F)(F)F

STK067885
Synonyms: (1E)- N- hydroxy- 1- (2- methyl- 1H- indol- 3- yl)- 2- phenylethanimine
Smiles: O/N=C(/c1c(C)[nH]c2c1cccc2)\Cc1ccccc1

STK067909
Synonyms: ethyl2- {[(2- iodophenyl)carbonyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCCC2

STK067927
Synonyms: 5- {[5- (4- chloro- 3- nitrophenyl)furan- 2- yl]methylidene}- 2- phenyl- 1,3- dioxane- 4,6- dione
Smiles: O=C1OC(OC(=O)/C/1=C\c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])Cl)c1ccccc1

STK067936
Synonyms: (10Z)- 7- (3,4- dimethoxyphenyl)- 10- (4- hydroxy- 3- iodo- 5- nitrobenzylidene)- 5,7- dihydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazolin- 9(10H)- one
Smiles: COc1ccc(cc1OC)C1C2=C(N=c3n1c(=O)/c(=C/c1cc(I)c(c(c1)[N+](=O)[O-])O)/s3)c1c(CC2)cccc1

STK067946
Synonyms: N- (1- acetyl- 2- methyl- 1,2,3,4- tetrahydroquinolin- 4- yl)- N- phenylpentanamide
Smiles: CCCCC(=O)N(C1CC(C)N(c2c1cccc2)C(=O)C)c1ccccc1

STK067962
Synonyms: N- [(2Z)- 8- methoxy- 3- (4- phenyl- 1,3- thiazol- 2- yl)- 2H- chromen- 2- ylidene]- 1,3- thiazol- 2- amine
Smiles: COc1cccc2c1o/c(=N\c1nccs1)/c(c2)c1scc(n1)c1ccccc1

STK067975
Synonyms: 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- N- (furan- 2- ylmethyl)- 3- (3- nitrophenyl)- 3- oxopropanamide
Smiles: Clc1ccc(=O)n(c1)C(C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)NCc1ccco1

STK068019
Synonyms: 2- (5- {[(2,4- dichlorophenyl)carbamoyl]amino}- 1,3,4- thiadiazol- 2- yl)- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)Nc1nnc(s1)CC(=O)Nc1ccccc1C

STK068026
Synonyms: 4'- methoxy- N'- [(4- nitrophenyl)carbonyl]biphenyl- 4- carbohydrazide
Smiles: COc1ccc(cc1)c1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)[N+](=O)[O-]

STK068027
Synonyms: 2- {[(5- amino- 1,3,4- thiadiazol- 2- yl)sulfanyl]methyl}- 6- bromo- 7- methyl- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: Nc1nnc(s1)SCc1nn2c(s1)nc(c(c2=O)Br)C

STK068029
Synonyms: [4- (4- chloro- 2- nitrophenyl)piperazin- 1- yl](3- ethoxyphenyl)methanone
Smiles: CCOc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])Cl

STK068030
Synonyms: (6Z)- 6- {3- bromo- 5- methoxy- 4- [2- (4- methylphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCOc1ccc(cc1)C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK068046
Synonyms: N- (1,3- dimethyl- 2,4- dioxo- 1,2,3,4- tetrahydro- 6H- pyrrolo[3,4- d]pyrimidin- 6- yl)acetamide
Smiles: CC(=O)Nn1cc2c(c1)c(=O)n(c(=O)n2C)C

STK068051
Synonyms: dimethyl1- benzyl- 4- [4- (methylsulfanyl)phenyl]- 1,4- dihydropyridine- 3,5- dicarboxylate
Smiles: COC(=O)C1=CN(C=C(C1c1ccc(cc1)SC)C(=O)OC)Cc1ccccc1

STK068056
Synonyms: 1- (2,6- dimethyl- 4- oxopyridin- 1(4H)- yl)thiourea
Smiles: NC(=S)Nn1c(C)cc(=O)cc1C

STK068084
Synonyms: N'- [(2E)- 4- (morpholin- 4- yl)- 4- oxobut- 2- enoyl]pyridine- 2- carbohydrazide
Smiles: O=C(NNC(=O)c1ccccn1)/C=C/C(=O)N1CCOCC1

STK068095
Synonyms: 4'- methylbiphenyl- 4- carboxylicacid
Smiles: Cc1ccc(cc1)c1ccc(cc1)C(=O)O

STK068124
Synonyms: 6- chloro- 3- {[5- (3,5- dimethoxyphenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 4- phenylquinolin- 2(1H)- one
Smiles: C=CCn1c(nnc1c1cc(OC)cc(c1)OC)Sc1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK068130
Synonyms: N'- [(1Z)- 1- (2,5- dihydroxyphenyl)ethylidene]- 2- methoxybenzohydrazide
Smiles: COc1ccccc1C(=O)N/N=C(\c1cc(O)ccc1O)/C

STK068143
Synonyms: 4- methyl- N- {2- [4- (prop- 1- en- 2- yl)phenyl]propan- 2- yl}piperazine- 1- carboxamide
Smiles: CN1CCN(CC1)C(=O)NC(c1ccc(cc1)C(=C)C)(C)C

STK068171
Synonyms: 3- [(3- chloro- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)amino]- N- (2- methoxyphenyl)- 4- (morpholin- 4- yl)benzenesulfonamide
Smiles: COc1ccccc1NS(=O)(=O)c1ccc(c(c1)NC1=C(Cl)C(=O)c2c(C1=O)cccc2)N1CCOCC1

STK068195
Synonyms: 1- [5- (3,4- dimethoxyphenyl)- 1,3,4- thiadiazol- 2- yl]- 3- (2- methoxyphenyl)urea
Smiles: COc1cc(ccc1OC)c1nnc(s1)NC(=O)Nc1ccccc1OC

STK068200
Synonyms: 2- [(1- amino- 5- methyl- 1H- imidazol- 2- yl)sulfanyl]- 6- bromo- 7- methyl- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: Cc1cnc(n1N)Sc1sc2n(n1)c(=O)c(c(n2)C)Br

STK068212
Synonyms: ethyl(2Z)- 2- (2- hydroxybenzylidene)- 7- methyl- 3- oxo- 5- [2- (propan- 2- yloxy)phenyl]- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)/c(=C/c1ccccc1O)/s2

STK068222
Synonyms: 2- (2- chloro- 4- methylphenoxy)- N- [(2- hydroxy- 4- methylphenyl)carbamothioyl]acetamide
Smiles: O=C(NC(=S)Nc1ccc(cc1O)C)COc1ccc(cc1Cl)C

STK068225
Synonyms: 4- hydroxy- N- (3- methoxyphenyl)- 1- (2- methylpropyl)- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: COc1cccc(c1)NC(=O)c1c(O)c2ccccc2n(c1=O)CC(C)C

STK068300
Synonyms: 2- [(4- phenylpiperazin- 1- yl)methyl]phenol
Smiles: Oc1ccccc1CN1CCN(CC1)c1ccccc1

STK068319
Synonyms: N- {5- [(6- ethyl- 7- methyl- 5- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}acetamide
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)Sc1nnc(s1)NC(=O)C

STK068325
Synonyms: 3- phenyl- 2- [2- (piperidin- 1- yl)ethyl]quinazolin- 4(3H)- one
Smiles: O=c1n(c2ccccc2)c(CCN2CCCCC2)nc2c1cccc2

STK068336
Synonyms: 2- (dimethylamino)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- b]pyridine- 3- carboxamide
Smiles: CN(c1nc2CC(C)(C)OCc2cc1C(=O)N)C

STK068347
Synonyms: acridin- 10(9H)- yl(phenyl)methanone
Smiles: O=C(N1c2ccccc2Cc2c1cccc2)c1ccccc1

STK068350
Synonyms: 2- (acetylamino)phenyl4- butoxybenzoate
Smiles: CCCCOc1ccc(cc1)C(=O)Oc1ccccc1NC(=O)C

STK068371
Synonyms: 5- oxo- N- phenyl- 1- [4- (propan- 2- yl)phenyl]pyrrolidine- 3- carboxamide
Smiles: CC(c1ccc(cc1)N1CC(CC1=O)C(=O)Nc1ccccc1)C

STK068393
Synonyms: [4- (4- bromophenyl)- 2- (4- nitrophenyl)- 1,3- thiazol- 5- yl]aceticacid
Smiles: OC(=O)Cc1sc(nc1c1ccc(cc1)Br)c1ccc(cc1)[N+](=O)[O-]

STK068428
Synonyms: (10Z)- 10- {[5- (4- acetylphenyl)furan- 2- yl]methylidene}- 7- [4- (methylsulfanyl)phenyl]- 5,7- dihydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazolin- 9(10H)- one
Smiles: CSc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C/c1ccc(o1)c1ccc(cc1)C(=O)C)/s3)c1c(CC2)cccc1

STK068438
Synonyms: 2- (4- bromophenyl)- 5- [4- (4- propylcyclohexyl)phenyl]- 1,3,4- oxadiazole
Smiles: CCCC1CCC(CC1)c1ccc(cc1)c1nnc(o1)c1ccc(cc1)Br

STK068449
Synonyms: N- [(2,4- dimethylphenyl)carbamothioyl]- 3,4- dimethylbenzamide
Smiles: S=C(Nc1ccc(cc1C)C)NC(=O)c1ccc(c(c1)C)C

STK068461
Synonyms: 3- methyl- 3- {2- [(4- methylphenyl)amino]- 1,3- thiazol- 4- yl}- 8- [(2- methylpropoxy)methyl]- 2,7- dioxaspiro[4.4]nonane- 1,6- dione
Smiles: CC(COCC1OC(=O)C2(C1)CC(OC2=O)(C)c1csc(n1)Nc1ccc(cc1)C)C

STK068475
Synonyms:
Smiles: COc1ccc(cc1Cn1[nH]c(c(c1C)[N+](=O)[O-])C)/C=N/n1c[nH]nc1

STK068482
Synonyms: 2- cyano- N'- (5,7- dinitroquinolin- 8- yl)acetohydrazide
Smiles: N#CCC(=O)NNc1c(cc(c2c1nccc2)[N+](=O)[O-])[N+](=O)[O-]

STK068495
Synonyms: 7- hydroxy- N- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: Cc1ccc(cc1)c1csc(n1)NC(=O)c1cc2ccc(cc2oc1=O)O

STK068496
Synonyms: N- (2- chlorobenzyl)- 1- (2- hydroxy- 3- methoxybenzyl)piperidine- 4- carboxamide
Smiles: COc1cccc(c1O)CN1CCC(CC1)C(=O)NCc1ccccc1Cl

STK068504
Synonyms: 4- {(E)- [(2- cyanophenyl)imino]methyl}- 2- methoxyphenylacetate
Smiles: COc1cc(/C=N/c2ccccc2C#N)ccc1OC(=O)C

STK068507
Synonyms: 4- chloro- N- {4- [(2,4,6- trimethylphenyl)sulfamoyl]phenyl}benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(cc1C)C

STK068532
Synonyms: (2Z)- N- [4- (4- butoxyphenyl)- 1,3- thiazol- 2- yl]- 6- chloro- 2- [(2,3- dimethylphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: CCCCOc1ccc(cc1)c1csc(n1)NC(=O)c1cc2cc(Cl)ccc2o/c/1=N\c1cccc(c1C)C

STK068580
Synonyms: 2- [(acetylcarbamothioyl)amino]benzoicacid
Smiles: CC(=O)NC(=S)Nc1ccccc1C(=O)O

STK068582
Synonyms: 2- benzyl- 3- methylquinoline- 4- carboxylicacid
Smiles: OC(=O)c1c(C)c(Cc2ccccc2)nc2c1cccc2

STK068597
Synonyms: (piperidin- 1- ylmethyl)phosphonicacid
Smiles: OP(=O)(CN1CCCCC1)O

STK068604
Synonyms: 3- {[(E)- (4- chloro- 3- nitrophenyl)methylidene]amino}phenol
Smiles: Oc1cccc(c1)/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STK068654
Synonyms: 1- {3- methoxy- 4- [2- oxo- 2- (pyrrolidin- 1- yl)ethoxy]phenyl}propan- 1- one
Smiles: CCC(=O)c1ccc(c(c1)OC)OCC(=O)N1CCCC1

STK068655
Synonyms: 3- methyl- 5- [(pentyloxy)methyl]- 4,5- dihydro- 1H- furo[2,3- c]pyrazole- 1- carboxamide
Smiles: CCCCCOCC1Cc2c(O1)n(nc2C)C(=O)N

STK068661
Synonyms: 2- [(2,6- difluorophenyl)carbonyl]cyclohexanone
Smiles: O=C1CCCCC1C(=O)c1c(F)cccc1F

STK068664
Synonyms: (4E)- 4- [3- chloro- 5- methoxy- 4- (naphthalen- 1- ylmethoxy)benzylidene]- 1- phenylpyrazolidine- 3,5- dione
Smiles: COc1cc(/C=C/2\C(=O)NN(C2=O)c2ccccc2)cc(c1OCc1cccc2c1cccc2)Cl

STK068682
Synonyms: 4- tert- butyl- 2- chloro- 6- {[(E)- (3- ethoxy- 2- hydroxyphenyl)methylidene]amino}phenol
Smiles: CCOc1cccc(c1O)/C=N/c1cc(cc(c1O)Cl)C(C)(C)C

STK068687
Synonyms: 5- ({1- [2- (4- chloro- 3- methylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(=Cc2c(C)n(c3c2cccc3)CCOc2ccc(c(c2)C)Cl)C(=O)N1

STK068718
Synonyms: (5E)- 5- {4- [(4- chlorobenzyl)oxy]- 3- ethoxy- 5- [(1E)- prop- 1- en- 1- yl]benzylidene}- 1- (4- ethoxyphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)OCC)cc(c1OCc1ccc(cc1)Cl)/C=C/C

STK068724
Synonyms: 1- (3- {[(E)- naphthalen- 1- ylmethylidene]amino}phenyl)ethanone
Smiles: CC(=O)c1cccc(c1)/N=C/c1cccc2c1cccc2

STK068737
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [(2- methylbenzyl)oxy]benzylidene}- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK068742
Synonyms: 8- (dodecylsulfanyl)- 7- (2- hydroxy- 3- phenoxypropyl)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCCCCCSc1nc2c(n1CC(COc1ccccc1)O)c(=O)[nH]c(=O)n2C

STK068750
Synonyms: N- [2- chloro- 5- (trifluoromethyl)phenyl]- 3- nitrobenzenesulfonamide
Smiles: Clc1ccc(cc1NS(=O)(=O)c1cccc(c1)[N+](=O)[O-])C(F)(F)F

STK068752
Synonyms: (3E)- 5- (4- chlorophenyl)- 3- [3- methoxy- 4- (propan- 2- yloxy)benzylidene]furan- 2(3H)- one
Smiles: COc1cc(ccc1OC(C)C)/C=C/1\C=C(OC1=O)c1ccc(cc1)Cl

STK068756
Synonyms: 2- (4- chlorophenyl)- 2- oxoethyl[(4- cyano- 1- methyl- 5,6,7,8- tetrahydroisoquinolin- 3- yl)sulfanyl]acetate
Smiles: N#Cc1c(SCC(=O)OCC(=O)c2ccc(cc2)Cl)nc(c2c1CCCC2)C

STK068767
Synonyms: 4- {[(E)- (2,4- dihydroxyphenyl)methylidene]amino}- N- (2,6- dimethoxypyrimidin- 4- yl)benzenesulfonamide
Smiles: COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)/N=C/c1ccc(cc1O)O

STK068820
Synonyms: N- (4- {[(4- chloro- 2- methylphenoxy)acetyl]amino}phenyl)thiophene- 2- carboxamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)c1cccs1)COc1ccc(cc1C)Cl

STK068841
Synonyms: 4- (octan- 3- ylamino)- 4- oxobutanoicacid
Smiles: CCCCCC(NC(=O)CCC(=O)O)CC

STK068890
Synonyms: 2- [(2E)- 2- (4- ethoxybenzylidene)hydrazinyl]quinoline
Smiles: CCOc1ccc(cc1)/C=N/Nc1ccc2c(n1)cccc2

STK068911
Synonyms: N'- (diphenylmethylidene)- 3- fluorobenzohydrazide
Smiles: Fc1cccc(c1)C(=O)N/N=C(/c1ccccc1)\c1ccccc1

STK068920
Synonyms: N- (3- ethoxypropyl)- 1- [(5- methylfuran- 2- yl)methyl]piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1ccc(o1)C

STK068932
Synonyms: 2- [(2- fluorobenzyl)sulfanyl]- 5- [(5,6,7,8- tetrahydronaphthalen- 2- yloxy)methyl]- 1,3,4- oxadiazole
Smiles: Fc1ccccc1CSc1nnc(o1)COc1ccc2c(c1)CCCC2

STK068938
Synonyms: methyl6- amino- 5- cyano- 2- (2- methoxy- 2- oxoethyl)- 4- (thiophen- 2- yl)- 4H- pyran- 3- carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1cccs1)C#N)N

STK068994
Synonyms: 2- (1,3- benzodioxol- 5- yl)- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: OC1=NC(Nc2c1c1CCCCc1s2)c1ccc2c(c1)OCO2

STK069004
Synonyms: 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)- N'- [(1E)- 1- phenylethylidene]acetohydrazide
Smiles: O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C(/c1ccccc1)\C

STK069013
Synonyms: N'- {[(4- fluorophenyl)carbonyl]oxy}pyridine- 2- carboximidamide
Smiles: Fc1ccc(cc1)C(=O)O/N=C(/c1ccccn1)\N

STK069053
Synonyms: 4- (dimethylamino)- N- (2- ethoxyphenyl)benzamide
Smiles: CCOc1ccccc1NC(=O)c1ccc(cc1)N(C)C

STK069072
Synonyms: N- (tetrahydro- 2H- pyran- 4- yl)- 2- (trifluoromethyl)- 10H- phenothiazine- 10- carboxamide
Smiles: O=C(N1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)NC1CCOCC1

STK069073
Synonyms: 5- {[(3- fluorophenyl)carbonyl]amino}- N- methyl- 1- phenyl- 1H- pyrazole- 4- carboxamide
Smiles: CNC(=O)c1cnn(c1NC(=O)c1cccc(c1)F)c1ccccc1

STK069083
Synonyms: 7- (4- chlorobenzyl)- 8- (2,5- dichlorophenoxy)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(Oc2cc(Cl)ccc2Cl)nc2c1c(=O)n(C)c(=O)n2C

STK069097
Synonyms: N- (furan- 2- ylmethyl)- 4- oxo- 4- (piperidin- 1- yl)butanamide
Smiles: O=C(NCc1ccco1)CCC(=O)N1CCCCC1

STK069102
Synonyms: ethyl{3- [(7,9- dioxo- 6,10- dioxaspiro[4.5]dec- 8- ylidene)methyl]- 1H- indol- 1- yl}acetate
Smiles: CCOC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)OC2(OC1=O)CCCC2

STK069111
Synonyms: 2- [(E)- {[2- (3- methylphenyl)- 1,3- benzoxazol- 5- yl]imino}methyl]- 4- {(E)- [3- (trifluoromethyl)phenyl]diazenyl}phenol
Smiles: Cc1cccc(c1)c1nc2c(o1)ccc(c2)/N=C/c1cc(/N=N/c2cccc(c2)C(F)(F)F)ccc1O

STK069112
Synonyms: 2- (2- bromo- 4- nitrophenoxy)- N'- [(E)- (1- methyl- 1H- indol- 3- yl)methylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1Br)[N+](=O)[O-])N/N=C/c1cn(c2c1cccc2)C

STK069121
Synonyms: 2- [(4- oxo- 3- phenyl- 3,4- dihydroquinazolin- 2- yl)sulfanyl]- N- (2,4,6- trimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1nc2ccccc2c(=O)n1c1ccccc1

STK069125
Synonyms: [2- (4- methoxyphenyl)- 1,3- oxazolidine- 4,4- diyl]dimethanol
Smiles: OCC1(CO)COC(N1)c1ccc(cc1)OC

STK069150
Synonyms: (3Z)- 3- ({[(4- chlorophenyl)carbamoyl]oxy}imino)- 1,3- dihydro- 2H- indol- 2- one
Smiles: O=C(Nc1ccc(cc1)Cl)O/N=C/1\C(=O)Nc2c1cccc2

STK069156
Synonyms: 4- [(5- bromo- 6- methylimidazo[2,1- b][1,3,4]thiadiazol- 2- yl)sulfanyl]phenol
Smiles: Oc1ccc(cc1)Sc1nn2c(s1)nc(c2Br)C

STK069171
Synonyms: 1- ethyl- 3- [(4- methylphenyl)carbonyl][1,2,4]triazino[4,3- a]benzimidazol- 4(1H)- one
Smiles: CCn1nc(C(=O)c2ccc(cc2)C)c(=O)n2c1nc1c2cccc1

STK069172
Synonyms: (2E)- 2- [4- (3,5- diphenyl- 4,5- dihydro- 1H- pyrazol- 1- yl)benzylidene]hydrazinecarboximidamide
Smiles: NC(=N)N/N=C/c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1

STK069174
Synonyms: N'- (3,5- di- tert- butyl- 4- oxocyclohexa- 2,5- dien- 1- ylidene)- 4- methoxybenzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C/1\C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C

STK069195
Synonyms: 4- benzyl- 3- (4- fluorophenyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)c1nnc(n1Cc1ccccc1)c1ccc(cc1)F

STK069227
Synonyms: 1- [(E)- ({2- [(trimethylsilyl)oxy]ethyl}imino)methyl]naphthalen- 2- ol
Smiles: Oc1ccc2c(c1/C=N/CCO[Si](C)(C)C)cccc2

STK069231
Synonyms: methyl3- [(2,3- dichlorophenyl)carbamoyl]- 5- nitrobenzoate
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1cccc(c1Cl)Cl

STK069270
Synonyms: 3- oxo- N- (pyridin- 2- yl)- 3H- benzo[f]chromene- 2- carboxamide
Smiles: O=C(c1cc2c(oc1=O)ccc1c2cccc1)Nc1ccccn1

STK069273
Synonyms: 1- methyl- 3- {4- [(7- methyloctyl)oxy]phenyl}pyrrolidine- 2,5- dione
Smiles: CC(CCCCCCOc1ccc(cc1)C1CC(=O)N(C1=O)C)C

STK069281
Synonyms: 4- (5- {(Z)- [5- imino- 2- (2- methylpropyl)- 7- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}furan- 2- yl)benzoicacid
Smiles: CC(Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(cc3)C(=O)O)/C2=N)s1)C

STK069294
Synonyms: 3- [(2,6- dinitrophenyl)amino]phenol
Smiles: Oc1cccc(c1)Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]

STK069295
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)acetamide
Smiles: CC(=O)Nc1ccc2c(c1)OCCO2

STK069310
Synonyms: (3E)- 3- [2- (methoxyacetyl)hydrazinylidene]- N- (pyridin- 2- yl)butanamide
Smiles: COCC(=O)N/N=C(/CC(=O)Nc1ccccn1)\C

STK069313
Synonyms: 1- (1,3- benzodioxol- 5- ylmethyl)- 4- hydroxy- 6- methylpyridin- 2(1H)- one
Smiles: Oc1cc(C)n(c(=O)c1)Cc1ccc2c(c1)OCO2

STK069314
Synonyms: N- ethyl- N- (4- methoxybenzyl)ethanamine
Smiles: CCN(Cc1ccc(cc1)OC)CC

STK069318
Synonyms: ethyl2- oxo- 1,2,3,5,6,7,7a,12b- octahydro- 4H- xantheno[9,8a- b]pyrrole- 3- carboxylate
Smiles: CCOC(=O)C1C(=O)NC2C31CCCCC3Oc1c2cccc1