Dataset Viewer
Auto-converted to Parquet Duplicate
SMILES
stringlengths
2
901
IUPAC
stringlengths
4
1.82k
Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccc(SC(F)(F)F)cc3)CC2)n1
4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O
N-[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]butanamide
C[C@@H]1CCC2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CCC1[C@@]23OO4
(1S,5R,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
CCOCCn1nc(C)cc1C(=O)N1CCCC[C@H]1CCN1CCCC1
[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
COC(=O)c1nc(-c2ocnc2C)oc1C(=O)OC
dimethyl 2-(4-methyl-1,3-oxazol-5-yl)-1,3-oxazole-4,5-dicarboxylate
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC[C@H]1[C@@H](O)CC(=O)[C@@H]1/C=C/[C@@H](O)CCCCC)COP(=O)([O-])OCC[N+](C)(C)C
[(2R)-2-docosanoyloxy-3-[7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]heptanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
COC(=O)NC(C(=O)N1CCCC1C(=O)Nc1ccc(-c2ccc(NC(=O)C3CCCN3C(=O)C(NC(=O)OC)c3ccccc3)cc2)cc1)c1ccccc1
methyl N-[2-[2-[[4-[4-[[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
Cc1cc(OCCCCC(C)(C)/C(N)=N/O)ccc1F
6-(4-fluoro-3-methylphenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CN1CCC2C=CC=C3C2=C1Cc1ccc(O)c(O)c13
10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),14-hexaene-3,4-diol
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoic acid
C#CCOc1ccccc1CN(C(=O)CCl)C1CCC(F)(F)C1
2-chloro-N-(3,3-difluorocyclopentyl)-N-[(2-prop-2-ynoxyphenyl)methyl]acetamide
COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(C)cn2C)on1
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CCc1cc(C(=O)N2CCC(CNC)CC2)n[nH]1
(5-ethyl-1H-pyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
Cc1cc(C)cc(OCCNC(=O)C(=O)O)c1
2-[2-(3,5-dimethylphenoxy)ethylamino]-2-oxoacetic acid
CCOC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1
ethyl (3aS,6aR)-1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate
Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C3CCCCC3)C2c2ccccc2C)cc1C
(4E)-1-cyclohexyl-4-[(3,4-dimethylphenyl)-hydroxymethylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione
CON1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)[C@@H]1C
(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)pyridin-2-yl]imidazolidin-2-one
O=C(O)c1n[nH]c(CCC2CCCC2)n1
5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid
C=c1oc(C)cc1=C1NN=C(CCC(=O)NCC2OCCc3ccccc32)O1
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-[2-(5-methyl-2-methylidenefuran-3-ylidene)-3H-1,3,4-oxadiazol-5-yl]propanamide
c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5nc4-c4ccccc4)cc3)c3cccc(-c4ccccc4-c4ccccc4)c3)cc2)cc1
3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)c(C)c1
(5R)-5-(4-chlorophenyl)-4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
O=S(=O)(N1CCN(c2ncccc2Cl)CC1)N1CCc2ccccc2C1
2-[4-(3-chloropyridin-2-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CC1CC(O)CCN1C(=O)OC(C)(C)C.CC1CC(Oc2ccc(Cl)cc2)CCN1C(=O)OC(C)(C)C
tert-butyl 4-(4-chlorophenoxy)-2-methylpiperidine-1-carboxylate;tert-butyl 4-hydroxy-2-methylpiperidine-1-carboxylate
O=C(NC1CCN2CCCCC12)c1c(O)cccc1F
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-fluoro-6-hydroxybenzamide
O=S(=O)(Nc1ccc(SC(F)F)cc1)c1cccnc1Cl
2-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-3-sulfonamide
CCOC(=O)C(Cn1ccc(=O)c2cc(=O)c(O)ccc21)C(=O)OCC
diethyl 2-[(7-hydroxy-4,6-dioxocyclohepta[b]pyridin-1-yl)methyl]propanedioate
Cc1ccc(Nc2ncc3cc(-c4cc(NC(=O)c5cccc(F)c5)ccc4C)cc(C)c3n2)cn1
3-fluoro-N-[4-methyl-3-[8-methyl-2-[(6-methylpyridin-3-yl)amino]quinazolin-6-yl]phenyl]benzamide
CCNC(CCC(C)(C)C)c1ccc2c(c1)CCC2
1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4,4-dimethylpentan-1-amine
Cc1c(Cl)cnc(NC(=O)CSc2ccc3ccccc3c2)c1Cl
N-(3,5-dichloro-4-methylpyridin-2-yl)-2-naphthalen-2-ylsulfanylacetamide
FC(F)(F)Oc1cc(C(F)(F)F)cc(I)c1C(F)(F)F
1-iodo-3-(trifluoromethoxy)-2,5-bis(trifluoromethyl)benzene
COCC(N)CCNC(=O)c1ccc(O)cc1
N-(3-amino-4-methoxybutyl)-4-hydroxybenzamide
CC(C)(O)C(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
(4R)-N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-oxo-1-[(4-phenoxyphenyl)methylamino]propan-2-yl]-3-(2-hydroxy-2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CCOC(=O)c1nc(Br)cn1COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1cc(Br)nc1C(=O)[O-].[Li+]
lithium;4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate;ethyl 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
COC(=O)C1CCCCN1Cc1ncc(C(C)(C)C)o1
methyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-2-carboxylate
CC1(C(=O)Nc2ccc(NS(=O)(=O)c3cccc(-c4noc(C(N)CCCN)n4)c3)cc2)CC1
N-[4-[[3-[5-(1,4-diaminobutyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
O=C1CCCC(=O)N1NCc1ccccc1
1-(benzylamino)piperidine-2,6-dione
CCOC(=O)c1c(NC(=O)COC(=O)CNC(=O)c2ccccc2OC)sc(CC)c1C
ethyl 5-ethyl-2-[[2-[2-[(2-methoxybenzoyl)amino]acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate
CCN1CCCC(NCc2ccc(Cl)cc2C)C1
N-[(4-chloro-2-methylphenyl)methyl]-1-ethylpiperidin-3-amine
CCN(CC(=O)O)C(=O)CC1CCC(CNC(=O)OCC2c3ccccc3-c3ccccc32)C1
2-[ethyl-[2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentyl]acetyl]amino]acetic acid
C.CN1CCC(CNC(=O)C(CCCc2ccccc2)CCCc2ccccc2)CC1.O=C(NCC1CCN(CC(O)COc2cccc3ncccc23)CC1)C(CCCc1ccccc1)CCCc1ccccc1.c1cc(OC[C@H]2CO2)c2cccnc2c1
N-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;methane;N-[(1-methylpiperidin-4-yl)methyl]-5-phenyl-2-(3-phenylpropyl)pentanamide;5-[[(2R)-oxiran-2-yl]methoxy]quinoline
COc1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(Br)c(Cl)c1O[C@H](C)C(=O)O
(2R)-2-[4-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-3-bromo-2-chloro-6-methoxyphenoxy]propanoic acid
COC(=O)c1ccnc2cc(C(O)C(C)C)[nH]c12
methyl 2-(1-hydroxy-2-methylpropyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylate
CC(C)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1
3-chloro-4-cyano-N-(2-methylpropyl)benzenesulfonamide
Cc1cc(C)cc(CSc2nnc(-c3cccs3)n2N)c1
3-[(3,5-dimethylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OCC)cc4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br
ethyl (2Z,5S)-5-(2-bromo-4,5-dimethoxyphenyl)-2-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
COC(=O)NN=Cc1[nH]ncc1-c1ccc(F)cc1
methyl N-[[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methylideneamino]carbamate
C#CCOc1ccc(Cl)cc1C=C1C(=O)NN(c2ccccc2)C1=O
4-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
[1-hydroxy-3-[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl]oxypropan-2-yl] (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-tetratetraconta-14,17,20,23,26,29,32,35,38,41-decaenoate
C1CCC(OC2CCC(C3CCCCC3)CC2)CC1.O=C(O)O
carbonic acid;1-cyclohexyl-4-cyclohexyloxycyclohexane
COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)C(=O)NC2=S)cc1
(5E)-1-(4-methoxyphenyl)-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CCOC(=O)C1NC(=O)OC1c1ccc(OC)cc1
ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate
CC(=O)c1cccc(-c2ccc(SCC(N)=O)cc2)c1
2-[4-(3-acetylphenyl)phenyl]sulfanylacetamide
CCNCc1occc1CN(CC(F)(F)F)C(C)C
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CC(=O)N[C@@H]1CCN(c2nc3cc(C(=O)O)ccc3n2Cc2ccccc2C(C)(F)F)C1
2-[(3R)-3-acetamidopyrrolidin-1-yl]-1-[[2-(1,1-difluoroethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
Cn1c(Nc2c(Cl)cccc2Cl)nc2ccc3nc(-c4scc(S(C)(=O)=O)c4Cl)[nH]c(=O)c3c21
7-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one
Cc1noc(-c2c(NC(=O)Nc3ccc(Cl)c(Cl)c3)sc3c2CCOC3)n1
1-(3,4-dichlorophenyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]urea
Cc1cc2c(c(C)c1C)-c1ccccc1C2.Cc1cc2c(c(C)c1C)-c1ccccc1C2.Cc1cc2c(c(C)c1C)C1CCC2C1.Cc1cc2c(c(C)c1C)CCCC2.Cc1cc2c(c(C)c1C)Cc1c-2ccc2ccccc12.Cc1cc2c(c(C)c1C)Cc1ccccc1-2.Cc1cc2c(c(C)c1C)Cc1ccccc1-2
8,9,10-trimethyl-11H-benzo[a]fluorene;1,2,3-trimethyl-9H-fluorene;2,3,4-trimethyl-9H-fluorene;5,6,7-trimethyl-1,2,3,4-tetrahydronaphthalene;3,4,5-trimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)c34)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)-c6ccccc6-c6ccccc6-c6ccccc6-7)c5ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc7c(c6)-c6ccccc6-c6ccccc6-c6ccccc6-7)c5cc43)cc2)cc1.c1ccc2c(c1)-c1ccccc1-c1ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7ccccc7c6)c5ccc43)cc1-c1ccccc1-2
9-naphthalen-2-yl-14-tetraphenylen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-tetraphenylen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole;7-(4-phenylphenyl)-5-tetraphenylen-2-ylindolo[2,3-b]carbazole;5-(4-phenylphenyl)-12-tetraphenylen-2-ylindolo[3,2-c]carbazole
CC(C)(CNC(=O)N1CCC[C@H]1c1cccs1)N1CCOCC1
(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
Cc1ccc(C(=O)NC2CCCCCC2Cl)cc1Br
3-bromo-N-(2-chlorocycloheptyl)-4-methylbenzamide
Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cn1
(2R)-2-(3,4-difluorophenoxy)-N-[(6-methylpyridin-3-yl)methyl]propanamide
CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccs1
N-(1-thiophen-2-ylethylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
CCCCCCS(=O)(=O)C1CCCC1=O
2-hexylsulfonylcyclopentan-1-one
CS(=O)(=O)c1ccccc1C(=O)N1CCCC(c2nnc3n2CCCCC3)C1
(2-methylsulfonylphenyl)-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CCc1nc2c(N=O)c(O)c3ccccc3c2o1
2-ethyl-4-nitrosobenzo[g][1,3]benzoxazol-5-ol
COC(=O)CCCCCCNC(=O)c1cc(-c2ccc(NC(=O)OC(C)(C)C)cc2)on1
methyl 7-[[5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2-oxazole-3-carbonyl]amino]heptanoate
CC(C)(C)c1nc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)no1
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CCc1cc(-c2nsnc2C(=O)O)ccc1OC
4-(3-ethyl-4-methoxyphenyl)-1,2,5-thiadiazole-3-carboxylic acid
CCCCOC1OC(COC(=O)C(C)C)C(OC(=O)C(C)C)C(O)[C@H]1O[C@@H]1OC(C)C(OC(=O)C(C)C)C(OC(C)=O)C1OC(=O)CCCC
[(2S)-4-acetyloxy-2-[(3R)-2-butoxy-4-hydroxy-5-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)oxan-3-yl]oxy-6-methyl-5-(2-methylpropanoyloxy)oxan-3-yl] pentanoate
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CC2(C(=O)O)CCCCCC2)c1
1-[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
C1=CC(OCc2ccccc2)=CN(c2ccccc2)N1.Cl.Cl
2-phenyl-4-phenylmethoxy-1H-pyridazine;dihydrochloride
c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cccc(-c6cncc(-c7cccnc7)c6)c5)cc(-c5cccc(-c6cncc(-c7cccnc7)c6)c5)c4)c4c5ccccc5n(-c5ccccc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cccc(-c6cncc(-c7cncnc7)c6)c5)cc(-c5cccc(-c6cncc(-c7cncnc7)c6)c5)c4)c4c5ccccc5n(-c5ccccc5)c4c32)cc1
5-[3,5-bis[3-(5-pyridin-3-ylpyridin-3-yl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole;5-[3,5-bis[3-(5-pyrimidin-5-ylpyridin-3-yl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc(OC)cc1
(2S)-N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-3-phenylpropanamide
NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)NCCCCCNC(c1ccccc1)(c1ccccc1)c1ccc(O)cc1
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-N-[5-[[(4-hydroxyphenyl)-diphenylmethyl]amino]pentyl]acetamide
CC(CCc1ccco1)NC(=O)c1cc(Cl)nc2ccccc12
2-chloro-N-[4-(furan-2-yl)butan-2-yl]quinoline-4-carboxamide
CCCCC(CC)CCC(=O)N(CCC(C)(C)C(C)(C)N(CCC(C)(C)N1CCN(C(=O)OC(C)(C)C)CC1)C(C)=O)C(C)(C)C(C)(C)CCN(C(C)=O)C(C)(C)C
tert-butyl 4-[4-[acetyl-[5-[[5-[acetyl(tert-butyl)amino]-2,3,3-trimethylpentan-2-yl]-(4-ethyloctanoyl)amino]-2,3,3-trimethylpentan-2-yl]amino]-2-methylbutan-2-yl]piperazine-1-carboxylate
CN1CC(C)(c2ccc(C3CCCCC3)cc2)OC1=O
5-(4-cyclohexylphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
Fc1ccc2sc(-c3cccc4c3CCCN4)nc2c1
5-fluoro-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzothiazole
COC(=N)c1cc(Cl)ccc1F
methyl 5-chloro-2-fluorobenzenecarboximidate
C=P(C)(C)CC[C@H]1OC(n2c(N)nc3c(N)ncnc32)[C@H](O)[C@@H]1O
(3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
CC1(C)CC[C@]2(C(=O)O)C(O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
(4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4R,5S)-3-[(2S,3R,4R,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
COC(=O)[C@@]1(OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2O[C@@](OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3O[C@@](OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4O[C@@](OCCCN=[N+]=[N-])(C(=O)OC)C[C@@H]5OC(=O)N[C@@H]45)(C(=O)OC)C[C@@H]4OC(=O)N[C@@H]34)(C(=O)OC)C[C@@H]3OC(=O)N[C@@H]23)C[C@@H]2OC(=O)N[C@H]2[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1
methyl (3aR,4R,6R,7aS)-4-[(1S,2R)-3-[[(3aR,4R,6R,7aS)-4-[(1S,2R)-3-[[(3aR,4R,6R,7aS)-4-[(1S,2R)-3-[[(3aR,4R,6R,7aS)-6-methoxycarbonyl-2-oxo-4-[(1S,2R)-1,2,3-triacetyloxypropyl]-3a,4,7,7a-tetrahydro-3H-pyrano[3,4-d][1,3]oxazol-6-yl]oxy]-1,2-diacetyloxypropyl]-6-methoxycarbonyl-2-oxo-3a,4,7,7a-tetrahydro-3H-pyrano[3,4-d][1,3]oxazol-6-yl]oxy]-1,2-diacetyloxypropyl]-6-methoxycarbonyl-2-oxo-3a,4,7,7a-tetrahydro-3H-pyrano[3,4-d][1,3]oxazol-6-yl]oxy]-1,2-diacetyloxypropyl]-6-(3-azidopropoxy)-2-oxo-3a,4,7,7a-tetrahydro-3H-pyrano[3,4-d][1,3]oxazole-6-carboxylate
NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1
(2R)-2-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]amino]-3-naphthalen-2-ylpropanamide
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)cc2)cc1
(E)-N-(4-acetamidophenyl)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide
COc1cc(C(=O)NCC(=O)OCC(=O)N2CCC[C@@H](C)C2)cc(OC)c1OC
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
OCCCCNCc1ccc(Br)o1
4-[(5-bromofuran-2-yl)methylamino]butan-1-ol
CCc1ncc(-c2ccnc(N)n2)n1CC1CC1
4-[3-(cyclopropylmethyl)-2-ethylimidazol-4-yl]pyrimidin-2-amine
CN(C)c1nccn2nccc12
N,N-dimethylpyrazolo[1,5-a]pyrazin-4-amine
COc1ccc(CN2C(=O)C3(CN(C)C3)c3ccccc32)cc1
1'-[(4-methoxyphenyl)methyl]-1-methylspiro[azetidine-3,3'-indole]-2'-one
CCn1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)n1
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-ethylpyrazole-3-carboxamide
Cl.N.N.N.N.O=C(Nc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1Cl)c1nc2ccccc2[nH]c1=O.[HH].[HH].[HH].[HH]
azane;N-[2-chloro-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-3-oxo-4H-quinoxaline-2-carboxamide;molecular hydrogen;hydrochloride
Cc1cc(F)c(F)cc1CC1CCNC1
3-[(4,5-difluoro-2-methylphenyl)methyl]pyrrolidine
CNc1c(Cl)ncnc1NCCOCc1ccc(OC)cc1
6-chloro-4-N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-N-methylpyrimidine-4,5-diamine
CCCNC(=O)c1ccc(NC2CCCC(OC)C2)nc1
6-[(3-methoxycyclohexyl)amino]-N-propylpyridine-3-carboxamide
[C-]#[N+]c1ccc(-c2nc(N(C)CC3CCCC3)n(C)c(=O)c2-c2ccc(OCCO)cc2)cc1F
2-[cyclopentylmethyl(methyl)amino]-6-(3-fluoro-4-isocyanophenyl)-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpyrimidin-4-one
CCl.CCn1cncc1Cn1c(CN2CC(Oc3cccc(COc4ccccc4Cl)c3)C2)nc2ccc(C(=O)O)cc21
chloromethane;2-[[3-[3-[(2-chlorophenoxy)methyl]phenoxy]azetidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]benzimidazole-5-carboxylic acid
CCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1cc(C(=O)OC)nc2c(F)cc(Br)cc12
methyl 6-bromo-4-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-8-fluoroquinoline-2-carboxylate
CCNC(=NCCCOCC1CCCO1)N(C)CCOc1ccccc1.I
3-ethyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]-1-(2-phenoxyethyl)guanidine;hydroiodide
CN(C)[C@H](CNC(=O)Cc1c(F)cccc1Cl)c1csc2ccccc12
N-[(2S)-2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CCC(C)(C)C(=O)OCCCN(C)C.CCC(C)(C)C(=O)OCCCNC.CCC(C)(C)C(=O)OCCN(C)C.CCC(C)(C)C(=O)OCCNC.CCC(C)(C)C(=O)OCCOC(C)=O.CCC(C)C(=O)OCCCN(C)C.CCC(C)C(=O)OCCCNC.CCC(C)C(=O)OCCN(C)C.CCC(C)C(=O)OCCNC.CCC(C)C(=O)OCCNC(C)=O.CCC(C)C(=O)OCCOC(C)=O.CCC(C)OC(N)=O.CCC(C)OCCOC(C)=O
2-acetamidoethyl 2-methylbutanoate;2-acetyloxyethyl 2,2-dimethylbutanoate;2-acetyloxyethyl 2-methylbutanoate;butan-2-yl carbamate;2-butan-2-yloxyethyl acetate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;3-(dimethylamino)propyl 2,2-dimethylbutanoate;3-(dimethylamino)propyl 2-methylbutanoate;2-(methylamino)ethyl 2,2-dimethylbutanoate;2-(methylamino)ethyl 2-methylbutanoate;3-(methylamino)propyl 2,2-dimethylbutanoate;3-(methylamino)propyl 2-methylbutanoate
End of preview. Expand in Data Studio
README.md exists but content is empty.
Downloads last month
17