SMILES
stringlengths 2
904
| IUPAC
stringlengths 6
1.71k
|
|---|---|
N/N=C1\NC(=O)CNC1=O
|
(3Z)-3-hydrazinylidenepiperazine-2,5-dione
|
CCC1(C(=O)O)CCC(C(C)=O)CC1
|
4-acetyl-1-ethylcyclohexane-1-carboxylic acid
|
Cc1noc(C)c1CN(C)C(=O)Cc1ccccc1
|
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-phenylacetamide
|
CC1=C(c2ccccc2)N(c2ccccc2)C(=O)C(S(=O)c2ccccc2)C1=O
|
3-(benzenesulfinyl)-5-methyl-1,6-diphenylpyridine-2,4-dione
|
CC1C(C(CCCCC(=O)O)CCCC(=O)O)CCN(C)C1(C)C
|
5-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid
|
O=C(Nc1ccccn1)ON=C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
|
[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino] N-pyridin-2-ylcarbamate
|
C1=C\CSc2ccccc2\C=C/1
|
(3Z,5Z)-2H-1-benzothiocine
|
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
|
[2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropyl] hexacosanoate
|
CCOC(=O)C(CCc1ccccc1)C(N)C(C=O)N1Cc2ccccc2CC1C(=O)O
|
2-(3-amino-4-ethoxycarbonyl-1-oxo-6-phenylhexan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
|
C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N1CCc2sccc2C1
|
[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl] 4-sulfamoylbenzoate
|
O=S(=O)(O)O.[Cu+2].[NH-]CCO.[NH-]CCO
|
copper;2-hydroxyethylazanide;sulfuric acid
|
CC(C)(CCN)Nc1ccc2ccccc2c1
|
3-methyl-3-N-naphthalen-2-ylbutane-1,3-diamine
|
NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
|
1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-amine
|
COc1ccc(CN2C(=NC(=O)Cc3ccccc3Cl)SC3CS(=O)(=O)CC32)cc1
|
2-(2-chlorophenyl)-N-[3-[(4-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
|
CC1CCC(C2(C(=O)O)CCCCC2)CC1C
|
1-(3,4-dimethylcyclohexyl)cyclohexane-1-carboxylic acid
|
COc1ccccc1N1CCN(CC[C@H](Oc2ccc(C#N)cc2)c2ccc(C)cc2)CC1
|
4-[(1S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-methylphenyl)propoxy]benzonitrile
|
Cc1cc(O)c(C(=O)C=Cc2ccccc2)cc1Cl
|
1-(5-chloro-2-hydroxy-4-methylphenyl)-3-phenylprop-2-en-1-one
|
Cc1ccc(N2C(=O)CS/C2=N\NC(=O)Cn2nnc3ccccc32)cc1
|
2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide
|
O=C(Nc1ccc(S(=O)NC2CC2)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
|
N-(4-cyclopropylsulfinamoylphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
|
O=C(Nc1cccnc1)C1=C2C=NC=CN2NC1
|
N-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
|
C#Cc1ccc2[nH]c(S(=O)(=O)N3CCN(C(=O)c4nc5c(o4)CN(C)N(C)C5)C(CCC#N)C3)cc2c1
|
3-[1-(5,6-dimethyl-4,7-dihydro-[1,3]oxazolo[4,5-d]pyridazine-2-carbonyl)-4-[(5-ethynyl-1H-indol-2-yl)sulfonyl]piperazin-2-yl]propanenitrile
|
CC(C)(C)OC(=O)NCCOCCO.CC(C)(C)OC(=O)NCCOCCOC(=O)Cl.CCOCCOCC(=O)N1C(=O)CCC1=O.CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC(=O)OCCOCCN=C([O-])C(F)(F)F.CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC(=O)OCCOCCNC(=O)OC(C)(C)C.NCCOCCO
|
2-(2-aminoethoxy)ethanol;tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;N-[2-[2-[[(19S)-10,19-diethyl-14,18-dioxo-7-(4-piperidin-1-ylpiperidine-1-carbonyl)oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyloxy]ethoxy]ethyl]-2,2,2-trifluoroethanimidate;[(19S)-10,19-diethyl-19-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxycarbonyloxy]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;1-[2-(2-ethoxyethoxy)acetyl]pyrrolidine-2,5-dione;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl carbonochloridate
|
Cc1cc(C(F)F)nn1CC(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl
|
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
|
C#CCNC(=O)Nc1ccc(CN)cc1
|
1-[4-(aminomethyl)phenyl]-3-prop-2-ynylurea
|
CN(C)C(CN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1)c1ccccc1Cl
|
1-(2-chlorophenyl)-N'-[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]-N,N-dimethylethane-1,2-diamine
|
CN(C)CCN(C(=O)CCn1ccc(=O)[nH]c1=O)C1CCOCC1
|
N-[2-(dimethylamino)ethyl]-3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)propanamide
|
O=C(O)COc1ccc(Cl)cc1[C@H]1C2=C(CCCC2=O)N=C2CCCC(=O)C21
|
2-[4-chloro-2-[(9S)-1,8-dioxo-2,3,4,5,6,7,8a,9-octahydroacridin-9-yl]phenoxy]acetic acid
|
COc1cc(CN(C)CC(=O)O)ccc1CNCCN(C)C
|
2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-methylamino]acetic acid
|
COc1ccccc1C(C)N(C)C(=O)c1ccc(Cl)c(I)c1
|
4-chloro-3-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
|
CN(C)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1Br
|
2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylaniline
|
O=C([O-])C1CCOc2cc(Oc3ccc(C(=O)N(c4cccc(Cl)c4)C4CCNCC4)cc3)c(Cl)cc21.[Na+]
|
sodium;6-chloro-7-[4-[(3-chlorophenyl)-piperidin-4-ylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
|
O=c1cc(-c2cccc3ccccc23)[nH]o1
|
3-naphthalen-1-yl-2H-1,2-oxazol-5-one
|
CCCCCCCCOCc1c(Cl)cccc1S(=O)(=O)Nc1c(NC(C)=O)ccc(Cl)c1C(=O)C(C)(C)C
|
N-[4-chloro-2-[[3-chloro-2-(octoxymethyl)phenyl]sulfonylamino]-3-(2,2-dimethylpropanoyl)phenyl]acetamide
|
Cc1c(-c2ccc(O)cc2)sc2cc(OC(C)C)cc(Nc3ccc(OCCN4CCCC4)cc3)c12
|
4-[3-methyl-6-propan-2-yloxy-4-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1-benzothiophen-2-yl]phenol
|
O=C([O-])C1CC2(COC2)C1.[Na+]
|
sodium;2-oxaspiro[3.3]heptane-6-carboxylate
|
COc1ccccc1/C=C/C(=O)NCc1nnc2ccc(-c3ccsc3)nn12
|
(E)-3-(2-methoxyphenyl)-N-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]prop-2-enamide
|
COc1cc(N2CCC[C@H](OCc3ccccn3)C2)ncn1
|
4-methoxy-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
|
CC1CN(c2cnc3scc(C(=O)Nc4cn(C)nc4Br)c3n2)C(C)CN1
|
N-(3-bromo-1-methylpyrazol-4-yl)-2-(2,5-dimethylpiperazin-1-yl)thieno[2,3-b]pyrazine-7-carboxamide
|
COc1ccc(C(=O)N2CCC(CCCCNC(=O)c3cc4cnccc4[nH]3)CC2)cc1F
|
N-[4-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
|
CCC(CC)(CN)C(=O)N1CCOC(c2nccs2)C1.Cl.Cl
|
2-(aminomethyl)-2-ethyl-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]butan-1-one;dihydrochloride
|
CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)CC)cc1
|
N-(4-butan-2-yloxyphenyl)-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
|
Cc1cnc(NC2CCC(N3CCC3)CC2)nc1-c1cnc2ccc(-c3ccccc3)cn12
|
N-[4-(azetidin-1-yl)cyclohexyl]-5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
|
O=C(Nc1ccccc1)c1ccc(Cl)c(Cl)c1C(F)(F)F
|
3,4-dichloro-N-phenyl-2-(trifluoromethyl)benzamide
|
Fc1cc2[nH]c(COc3ccccc3)nc2cc1Br
|
5-bromo-6-fluoro-2-(phenoxymethyl)-1H-benzimidazole
|
COc1ccc([C@@H](N)C2CCCCC2)cc1OC.Cl
|
(S)-cyclohexyl-(3,4-dimethoxyphenyl)methanamine;hydrochloride
|
O=C1OC(C(COC(=O)C(Br)(Br)Br)OC(=O)C(Br)(Br)Br)C(=O)C1O
|
[2-(4-hydroxy-3,5-dioxooxolan-2-yl)-2-(2,2,2-tribromoacetyl)oxyethyl] 2,2,2-tribromoacetate
|
O=C(O)c1cc[nH]c1CC1CC1
|
2-(cyclopropylmethyl)-1H-pyrrole-3-carboxylic acid
|
Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc1n2-c1ccc(-c2ccccc2)cc1.Cc1ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc3n(-c3ccc(-c4ccccc4)cc3)c2c1
|
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-6-methyl-9-(4-phenylphenyl)carbazole;6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-methyl-9-(4-phenylphenyl)carbazole
|
CCNC(=S)N/N=C(/C)c1cc(CCC(=O)[O-])oc1C
|
3-[4-[(Z)-N-(ethylcarbamothioylamino)-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoate
|
CN1CCC(c2ccc(-c3cc(N)n(C)n3)cc2Cl)C1
|
5-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-methylpyrazol-3-amine
|
CN(C)c1ccc2c(c1)Oc1c(ccc3cc(O)ccc13)C21OC(=O)c2ccc(C(=O)NCCOCCOCCCCCCCl)cc21
|
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-10'-(dimethylamino)-3'-hydroxy-1-oxospiro[2-benzofuran-3,7'-benzo[c]xanthene]-5-carboxamide
|
COc1cc(-n2c(C)nc3cc(-c4ccc5nc(C)[nH]c5c4)ccc32)cc(OC)n1
|
1-(2,6-dimethoxypyridin-4-yl)-2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)benzimidazole
|
O=C(F)N=S(F)(F)=NC(=O)F
|
N-[carbonofluoridoylimino(difluoro)-λ6-sulfanylidene]carbamoyl fluoride
|
C=C/C=C(/NCc1ccc(OC)cc1)C(=C)C
|
(3E)-N-[(4-methoxyphenyl)methyl]-2-methylhexa-1,3,5-trien-3-amine
|
CNc1nc(-c2ccccc2)[nH]c(=O)c1C#N
|
4-(methylamino)-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile
|
N#CCN(CC#N)C(=O)c1ccc(F)c2ccccc12
|
N,N-bis(cyanomethyl)-4-fluoronaphthalene-1-carboxamide
|
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cc2ccccc2o1
|
N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-1-benzofuran-2-carboxamide
|
CNC(=O)NS(=O)(=O)c1cc(CC(=O)NC(C)c2nccs2)ccc1C
|
2-[4-methyl-3-(methylcarbamoylsulfamoyl)phenyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
|
COCCNCc1cccn1C(C)C
|
2-methoxy-N-[(1-propan-2-ylpyrrol-2-yl)methyl]ethanamine
|
CC(C)c1nc(N(C)C)nc(N2Cc3ccccc3N(C)CC2C)n1
|
4-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
|
Cc1ccc([C@@H](CC(=O)O)c2ccc(N(C)N)c(N)c2C)cc1CN1CCOc2ccncc2C1
|
(3R)-3-[3-amino-4-[amino(methyl)amino]-2-methylphenyl]-3-[3-(3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-ylmethyl)-4-methylphenyl]propanoic acid
|
Cc1cc(=O)[nH]c(NC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCN(CCOC(=O)N(N)CC(C)(C)CC(C)CCNC(=O)Nc2nc(C)cc(=O)[nH]2)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2)n1
|
2-[4-[(4-nitrophenyl)diazenyl]-N-[2-[[2,2,4-trimethyl-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamoyloxy]ethyl]anilino]ethyl N-amino-N-[2,2,4-trimethyl-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate
|
CCOC(=O)C(OC(=O)c1ccc(Cl)cc1)c1ccccc1
|
(2-ethoxy-2-oxo-1-phenylethyl) 4-chlorobenzoate
|
O=C(OCc1nc(Cl)ccc1Cl)c1cccc(NC(=O)C2CC2)c1
|
(3,6-dichloropyridin-2-yl)methyl 3-(cyclopropanecarbonylamino)benzoate
|
O=C1N[C@@](Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1CCCO
|
(5S)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
|
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)C=CCN1CC2OCCOC2C1
|
4-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)-N-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]but-2-enamide
|
CC(O)C(CN(C=O)c1c2ccccc2nc2ccccc12)O[P+](=O)O
|
[1-[acridin-9-yl(formyl)amino]-3-hydroxybutan-2-yl]oxy-hydroxy-oxophosphanium
|
C[Si](C)(c1ccccc1)c1ccc(-c2ccccc2)cc1
|
dimethyl-phenyl-(4-phenylphenyl)silane
|
CN1CCN(C(C#N)C2CCCO2)CC1
|
2-(4-methylpiperazin-1-yl)-2-(oxolan-2-yl)acetonitrile
|
CC(C)C(=O)N1CCC(C[C@@H]2CC(c3ccccc3)=NO2)(C(=O)NC[C@@H]2CCCO2)CC1
|
1-(2-methylpropanoyl)-N-[[(2S)-oxolan-2-yl]methyl]-4-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide
|
Cc1ccc(/C=N\NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-]
|
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
|
COc1ncc(-c2c(N)ncnc2N[C@@H](C)C2Nn3ccc(Br)c3C(=O)N2c2ccccc2)cc1NS(C)(=O)=O
|
N-[5-[4-amino-6-[[(1S)-1-(5-bromo-4-oxo-3-phenyl-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidin-5-yl]-2-methoxypyridin-3-yl]methanesulfonamide
|
Cc1cnc(CCNc2cc(N3CCCC3CO)ncn2)s1
|
[1-[6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
|
CCNC(=NCCCn1cccn1)NCCCN1CCCCCC1.I
|
1-[3-(azepan-1-yl)propyl]-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
|
CC(=O)CCC(=O)Nc1ccc(Cl)cc1C
|
N-(4-chloro-2-methylphenyl)-4-oxopentanamide
|
CCO[Si](CCCS(S)(CC(C)(C)C)SS)(OCC)OCC
|
3-[2,2-dimethylpropyl-(disulfanyl)-sulfanyl-λ4-sulfanyl]propyl-triethoxysilane
|
O=C(NC(c1ccccc1)c1c(O)ccc2ccccc12)C1Cc2ccccc2S1
|
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
|
COc1ccc(CN(C(=O)[C@@H]2CCOC2)C2CCCC2)c(OC)c1
|
(3R)-N-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]oxolane-3-carboxamide
|
CC(C)Cc1c(N)n[nH]c1-c1ccccc1
|
4-(2-methylpropyl)-5-phenyl-1H-pyrazol-3-amine
|
COc1ccccc1CCN1CCCc2ncc3ccccc3c21.Cl.O
|
1-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-benzo[c][1,5]naphthyridine;hydrate;hydrochloride
|
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)c3n2)cc1
|
[4-(1-adamantyl)piperazin-1-yl]-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
|
CC(C)C(Oc1ccc2c(c1)CCC(CN1CCC(C(=O)O)CC1)=C2Cl)c1cnc2n[nH]c(Cl)c2c1
|
1-[[1-chloro-6-[1-(3-chloro-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-methylpropoxy]-3,4-dihydronaphthalen-2-yl]methyl]piperidine-4-carboxylic acid
|
CN1C(=O)COc2cc3c(cc21)NC(=O)CC3c1ccc2cccc(O)c2n1
|
9-(8-hydroxyquinolin-2-yl)-4-methyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione
|
CN(C(=O)C(C)(C)C(=O)O)c1cccnc1
|
2,2-dimethyl-3-[methyl(pyridin-3-yl)amino]-3-oxopropanoic acid
|
CCCn1cc(CN(CCC(=O)O)C(C)C)cn1
|
3-[propan-2-yl-[(1-propylpyrazol-4-yl)methyl]amino]propanoic acid
|
CC12CC(NC1=O)C1OCOC12
|
1-methyl-3,5-dioxa-8-azatricyclo[5.2.1.02,6]decan-9-one
|
CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C(C)C(=O)O
|
2-[methyl-[(5-nitro-2-propan-2-yloxyphenyl)methyl]amino]propanoic acid
|
C.CCOP(=S)(OCC)n1cnn(CC(O)(Cc2ccccc2Cl)C2(Cl)CC2)c1=S
|
2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-4-diethoxyphosphinothioyl-1,2,4-triazole-3-thione;methane
|
c1ccc(-c2nc(N3Oc4ccc5ccccc5c4-c4c3c3c5ccccc5sc3c3ccccc43)nc3ccccc23)cc1
|
29-(4-phenylquinazolin-2-yl)-28-oxa-9-thia-29-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,27.019,24]nonacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
|
CCCC[C@@]12CC[C@@H]([C@@H]3O[C@@H]3[C@@H]1CO[Si](C)(C)C(C)(C)C)N2C(=O)OC
|
methyl (1S,2S,4R,5S,6R)-6-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxa-9-azatricyclo[4.2.1.02,4]nonane-9-carboxylate
|
CCCOc1cncc(C(=O)C2(N)CCCC2)c1
|
(1-aminocyclopentyl)-(5-propoxypyridin-3-yl)methanone
|
N#Cc1cc(NC(=O)[C@]23C[C@@]2(c2ccncc2)[C@@H]2CC[C@H]3C2)ccc1-c1ccccc1Cl
|
(1S,2S,4S,5R)-N-[4-(2-chlorophenyl)-3-cyanophenyl]-4-pyridin-4-yltricyclo[3.2.1.02,4]octane-2-carboxamide
|
COc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1CC=C(C)CC[C@H](O)C(C)(C)O
|
(3S)-8-[4-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)-6-methoxyphenyl]-2,6-dimethyloct-6-ene-2,3-diol
|
COc1ccc2cc(Br)ccc2c1CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)COc2c(F)cccc21
|
tert-butyl N-[(3S)-5-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-9-fluoro-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]carbamate
|
CCc1ccc(Nc2nncc(N(CC)Cc3ccccc3)n2)cc1
|
5-N-benzyl-5-N-ethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
|
CCOc1ccc2oc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C)c2c1
|
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
|
CC1CCN(c2ccc([C@H](C)NC(=O)CCc3ccccc3F)cc2)CC1
|
3-(2-fluorophenyl)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide
|
CN(C)CCN(C)c1ccc(C2CCC(=O)N2c2ccc3nc[nH]c3c2)cc1
|
1-(3H-benzimidazol-5-yl)-5-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]pyrrolidin-2-one
|
CC(C)[C@@H](CO)Nc1nc(NCCN2CCN(C)CC2)cc(-c2ccccn2)n1
|
(2S)-3-methyl-2-[[4-[2-(4-methylpiperazin-1-yl)ethylamino]-6-pyridin-2-ylpyrimidin-2-yl]amino]butan-1-ol
|
CN1C=C(C(F)(F)F)C(c2c[nH]c3c(Br)c(N4CCOC4=O)ccc23)=NC1N[C@H]1CCCNC1
|
3-[7-bromo-3-[1-methyl-2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)-2H-pyrimidin-4-yl]-1H-indol-6-yl]-1,3-oxazolidin-2-one
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.