SMILES
stringlengths 2
1.04k
| IUPAC
stringlengths 6
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CCc1ccc(NC(=O)CNc2ccccc2CC)cc1
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2-(2-ethylanilino)-N-(4-ethylphenyl)acetamide
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[C-]#[N+]C(C(C)=NC)=C(C)Nc1ccccc1
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N-(3-isocyano-4-methyliminopent-2-en-2-yl)aniline
|
CC(F)F.CF.COc1cc2c(CC(=O)O)cnc(C(=O)c3cccc(OC(C)C)c3)c2cc1OC
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1,1-difluoroethane;2-[6,7-dimethoxy-1-(3-propan-2-yloxybenzoyl)isoquinolin-4-yl]acetic acid;fluoromethane
|
Cc1ccc(C2CN(CCO)CC(c3ccc(C)cc3)N2CCO)cc1.Cl
|
2-[4-(2-hydroxyethyl)-3,5-bis(4-methylphenyl)piperazin-1-yl]ethanol;hydrochloride
|
C.CC.CC(=O)NCCCCOC1OC(CO)C(O)C(O)C1O.CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(C)C1C.CCN(CC)CC.CO.C[O-].ClCCl.NCCCCOC1OC(CO)C(O)C(O)C1O.O=C(NCCCCO)OCC1c2ccccc2-c2ccccc21.O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12.[Na+]
|
sodium;2-(4-aminobutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol;(5,6-diacetyloxy-3,4-dimethyloxan-2-yl)methyl acetate;dichloromethane;N,N-diethylethanamine;ethane;9H-fluoren-9-ylmethyl N-(4-hydroxybutyl)carbamate;2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;methane;methanol;methanolate;N-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]acetamide
|
Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c(C)c1
|
4-(2,4-dimethylphenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-oxobutanamide
|
COc1cc(-c2nccc(CCN)n2)ccc1F
|
2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]ethanamine
|
Cc1cc(N[C@H](c2nncn2C)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1
|
6-methyl-N-[(1S)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propyl]-2-(3-nitrophenyl)pyrimidin-4-amine
|
Cc1c(Br)c(N)c(Br)c2nc(-c3ccc(C(C)(C)C)cc3)oc12
|
4,6-dibromo-2-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazol-5-amine
|
CCn1ccc(C(=O)Nc2ccc(F)cc2OC(F)F)n1
|
N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethylpyrazole-3-carboxamide
|
Cc1oncc1C(=O)Nc1ccc(NC(=O)CCCN)cc1.Cl
|
N-[4-(4-aminobutanoylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
|
OC(COc1cccc(Cl)c1)c1cc2ccccc2o1
|
1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanol
|
O=C(CNC(=O)c1cccc(Br)c1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
|
3-bromo-N-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]benzamide
|
CCc1cc2c(NCc3cc(-c4ccc(Br)cc4)no3)ncnc2s1
|
N-[[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
|
O=[N+]([O-])c1cccc(CNCCn2ccnn2)c1F
|
N-[(2-fluoro-3-nitrophenyl)methyl]-2-(triazol-1-yl)ethanamine
|
Cc1ccc(C(CNC(=O)CN2C(=O)c3ccccc3C2=O)N2CCCC2)cc1
|
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
|
CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(F)c(OC)cc(OC)c2c(=O)[nH]1
|
8-fluoro-5,7-dimethoxy-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3H-quinazolin-4-one
|
Cc1ccccc1N1CCCC1.O=c1ccc(C(F)(F)F)c[nH]1
|
1-(2-methylphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one
|
Cc1noc(C)c1C(=O)N1CC[C@@H](C2CCN(CCc3ccccc3)CC2)C1
|
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]methanone
|
NC(c1ccc(F)c(Cl)c1)c1ccccc1F
|
(3-chloro-4-fluorophenyl)-(2-fluorophenyl)methanamine
|
COc1cc2cc(-c3ccc(CN(C)Cc4cccc(C)c4)cc3)c(=O)oc2cc1OC
|
6,7-dimethoxy-3-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]chromen-2-one
|
C=CC(=O)Oc1ccc(C(C)(c2ccc(OC(=O)C=C)cc2)c2ccc(OC(=O)C=C)cc2)cc1.CC(c1ccc(OCC(=O)O)cc1)(c1ccc(OCC(=O)O)cc1)c1ccc(OCC(=O)O)cc1.CN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.COC(=O)COc1ccc(C(C)(c2ccc(OCC(=O)OC)cc2)c2ccc(OCC(=O)OC)cc2)cc1.COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
|
2-[4-[1,1-bis[4-(carboxymethoxy)phenyl]ethyl]phenoxy]acetic acid;[4-[1,1-bis(4-prop-2-enoyloxyphenyl)ethyl]phenyl] prop-2-enoate;methyl 2-[4-[1,1-bis[4-(2-methoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]acetate;tris[4-(dimethylamino)phenyl]methanol;tris(4-methoxyphenyl)methanol
|
Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4CCCC4)cc3c2[C@H](C)CN)c1.Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4CCCC4)cc3c2[C@H](C)CNC(=O)N2CCC(c3ccncc3)C2)c1.c1cc(C2CCNC2)ccn1
|
2-[4-[(2S)-1-aminopropan-2-yl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-2-yl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one;N-[(2S)-2-[5-(3,5-dimethylphenyl)-2-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6H-thieno[2,3-b]pyrrol-4-yl]propyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;4-pyrrolidin-3-ylpyridine
|
CC(C)=CCC[C+](C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C
|
(3S,5R,8R,9R,10R,13R,14R,17R)-4,4,8,10,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
CCc1ccc(S(=O)(=O)Nc2cnccc2C)cc1CN
|
3-(aminomethyl)-4-ethyl-N-(4-methylpyridin-3-yl)benzenesulfonamide
|
COc1ccc(CC(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
|
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-2-(4-methoxyphenyl)ethanone
|
COC1=NC(Cc2ccccc2)CCC=C1
|
2-benzyl-7-methoxy-3,4-dihydro-2H-azepine
|
COc1ccc(CCC(=O)N(Cc2ccc(CC3CCN(C(C)=O)CC3)cc2)C2CC2)cc1
|
N-[[4-[(1-acetylpiperidin-4-yl)methyl]phenyl]methyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide
|
O=C(/C=C/c1c(F)cccc1Cl)Nc1nncs1
|
(E)-3-(2-chloro-6-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
|
CCOC(=O)c1sc(N2C(=O)C(=O)/C(=C(/O)c3ccncc3)C2c2ccc(OCC)c(OCC)c2)nc1C
|
ethyl 2-[(3E)-2-(3,4-diethoxyphenyl)-3-[hydroxy(pyridin-4-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
|
CC(C)c1nnc(SCC(=O)Nc2ccnn2C(C)C)n1C1CC1
|
2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
|
C=C1CC23CC[C@@]1(CC)[C@@]2(C)CC[C@@H]1C2=C(CC[C@H]13)CC(=O)C1(C2)OCCO1
|
(2'R,11'S,14'S,15'R)-15'-ethyl-14'-methyl-16'-methylidenespiro[1,3-dioxolane-2,8'-pentacyclo[13.2.2.01,14.02,11.05,10]nonadec-5(10)-ene]-7'-one
|
COc1ccccc1-c1cn2c(n1)C(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC2
|
2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
|
Cc1ccc(-n2oc(C(C)(C)C)c(COS(=O)c3ccc(NS(=O)(=O)c4ccc(N=Nc5c(C(C)(C)C)[nH]n6nc(-c7ccc([N+](=O)[O-])cc7)nc56)cc4Cl)cc3)c2=O)c([N+](=O)[O-])c1
|
[5-tert-butyl-2-(4-methyl-2-nitrophenyl)-3-oxo-1,2-oxazol-4-yl]methyl 4-[[4-[[6-tert-butyl-2-(4-nitrophenyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-2-chlorophenyl]sulfonylamino]benzenesulfinate
|
O=C1OC2C3CC([C@H]2Br)[C@@H](CO)C13
|
(2R,9S)-2-bromo-9-(hydroxymethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
|
CC1(C)c2ccccc2-c2cc3c(cc21)c1c(n3CNC2C=CC=C/C2=C(/N)c2ccccc2)C=C(C2=c3oc4ccccc4c3=CCC2)CC1
|
(6Z)-6-[amino(phenyl)methylidene]-N-[[3-(2,3-dihydrodibenzofuran-4-yl)-11,11-dimethyl-1,2-dihydroindeno[1,2-b]carbazol-5-yl]methyl]cyclohexa-2,4-dien-1-amine
|
O=C(O)[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(Nc3nc4cc(F)cc(F)c4s3)c(F)c2)cc1
|
(1R,2R)-2-[4-[4-[(5,7-difluoro-1,3-benzothiazol-2-yl)amino]-3-fluorophenyl]benzoyl]cyclopentane-1-carboxylic acid
|
CCOc1c(Br)cc(Br)cc1CNc1cccc(NC(=O)CC(C)C)c1
|
N-[3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]phenyl]-3-methylbutanamide
|
CC(C)CN1C(=O)COc2ccc(C(=O)CCl)cc21
|
6-(2-chloroacetyl)-4-(2-methylpropyl)-1,4-benzoxazin-3-one
|
CC(OP(=O)(O)OCc1ccccc1)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[hydroxy(phenylmethoxy)phosphoryl]oxybutanoic acid
|
[2H]c1c([2H])c(-c2c3ccccc3c(-c3c([2H])c([2H])c4c(oc5c([2H])c([2H])c([2H])c([2H])c54)c3[2H])c3ccccc23)c([2H])c([2H])c1-c1ccccc1
|
1,2,3,4,6,8,9-heptadeuterio-7-[10-(2,3,5,6-tetradeuterio-4-phenylphenyl)anthracen-9-yl]dibenzofuran
|
Cc1nn(C)c(Cl)c1CNCc1ccccc1CN1CC(C)OC(C)C1
|
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methanamine
|
C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(Br)c(C)c1
|
N-(4-bromo-3-methylphenyl)-2-[[5-[(2,3-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
|
COc1cccc(Cn2cc(NC(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)cc3)cn2)c1
|
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
|
C=C1/C=C\C=C/Cc2ccc(N(c3ccc(C4=CCCC=C4)cc3)c3ccc(/C=C/C)c4ccccc34)cc2C1(C)C
|
(7Z,9Z)-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5-dimethyl-6-methylidene-N-[4-[(E)-prop-1-enyl]naphthalen-1-yl]-11H-benzo[9]annulen-3-amine
|
CC(C#N)CN1CC(C)CCC1C
|
3-(2,5-dimethylpiperidin-1-yl)-2-methylpropanenitrile
|
NS(=O)(=O)CCCNC(=O)/C=C/c1ccc2c(c1)OCO2
|
(E)-3-(1,3-benzodioxol-5-yl)-N-(3-sulfamoylpropyl)prop-2-enamide
|
COC(C)(C)C(=O)c1ccc(Br)c(Cl)c1F
|
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-2-methylpropan-1-one
|
CC(=O)Nc1ccc(CC(=O)O)c(C(=O)O)c1
|
5-acetamido-2-(carboxymethyl)benzoic acid
|
CNC(COC)Cc1nc(C2CC2)ns1
|
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
|
Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1
|
[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
|
CC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC)N(Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)C(=O)N1Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1
|
N-(1H-benzimidazol-2-yl)-3-[[(4R,5S,6S,7R)-3-[[3-(1H-benzimidazol-2-ylcarbamoyl)phenyl]methyl]-4,7-diethyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide
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CCNC(=O)C(C)NC(=O)C(C(=O)OCC)C(C)(C)C
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ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]-3,3-dimethylbutanoate
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COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(Cc1ccc(C)s1)CC2
|
9-methoxy-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-[(5-methylthiophen-2-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
|
COc1ccc2c(c1)OC(C)CN(CC(=O)NCCc1cnn(-c3ccccc3)c1)C2
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2-(8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
|
COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C(=O)NCCCn2ccnc2)C(C)C)cc1
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N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
|
CC1(C(=O)O)CN(C(=O)c2ncccc2NC(=O)OCC2c3ccccc3-c3ccccc32)C1
|
1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]-3-methylazetidine-3-carboxylic acid
|
CCCC(C)(NC(=O)Cn1cnnn1)C(=O)OC
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methyl 2-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoate
|
Cc1c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cccc1[N+](=O)[O-]
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N-(2-methyl-3-nitrophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
|
CC(C)c1ncc(Oc2cccc(F)c2)c(C(=O)O)n1
|
5-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
|
C=C(/C=c1/ccccc1=C)c1c2c(c(C3=Cc4c(ccc5c4sc4ccccc45)C4c5ccccc5SC34)c3ccccc13)=CCCC=2
|
11-[10-[(3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-2,3-dihydroanthracen-9-yl]-9,15-dithiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),3,5,7,11,14(22),16,18,20,23-decaene
|
CN(C)CCCC(=O)c1c(N)[nH]c(=O)c2ccccc12.O=C(O)C(=O)O
|
3-amino-4-[4-(dimethylamino)butanoyl]-2H-isoquinolin-1-one;oxalic acid
|
CC(C)c1nc2scc(-c3ccc(F)cc3)n2c1CC#N
|
2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
|
CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
|
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl acetate
|
Cc1nonc1C(=O)N1CCOC(c2ccc(Cc3ccc(F)cc3)cn2)C1
|
[2-[5-[(4-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
|
CCOc1ccccc1N1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1
|
2-[(1S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
|
Cc1cc2cc(CN(Cc3cccnc3)C(=S)NCCc3ccccc3)c(=O)[nH]c2cc1C
|
1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-phenylethyl)-1-(pyridin-3-ylmethyl)thiourea
|
Cc1c(OC(=O)c2ccco2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O
|
[(2Z)-2-[(3-chlorophenyl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl] furan-2-carboxylate
|
CCCCCOc1ccc(C(C)NC(=O)C(=O)Nc2c(C)nn(CC)c2C)cc1OC
|
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N'-[1-(3-methoxy-4-pentoxyphenyl)ethyl]oxamide
|
Cc1ccc2c(c1)N(C)C[C@H](CN(C)c1ncc3c4[nH]ncc4c(=O)n(-c4ccccc4)c3n1)O2
|
11-[[(2R)-4,6-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-8-phenyl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
|
C=C1OC2(c3ccccc3)Oc3ccccc3C2(c2ccccc2)/C1=C/C=C/O
|
(E,3Z)-3-(2-methylidene-3a,8b-diphenylfuro[2,3-b][1]benzofuran-1-ylidene)prop-1-en-1-ol
|
CCOc1ccc(C=CC(=O)Nc2cc(F)ccc2C)cc1OC
|
3-(4-ethoxy-3-methoxyphenyl)-N-(5-fluoro-2-methylphenyl)prop-2-enamide
|
CC1CCc2c(N=C(N)/C=C(\N)C3CCCC3)nc(N3CCCC3C(=O)Nc3nccs3)nc21
|
1-[4-[[(Z)-1,3-diamino-3-cyclopentylprop-2-enylidene]amino]-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
|
CCn1c(CNC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)n[nH]c1=S
|
2-[4-(difluoromethylsulfanyl)anilino]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
|
CCc1cccc2c1N(C)C(=O)[C@@H]2CC#N
|
2-[(3R)-7-ethyl-1-methyl-2-oxo-3H-indol-3-yl]acetonitrile
|
CC(C)n1c(CO)cc2c(N)cccc21
|
(4-amino-1-propan-2-ylindol-2-yl)methanol
|
C=CC[Si](CCCCl)(OCC)OCC
|
3-chloropropyl-diethoxy-prop-2-enylsilane
|
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3c4ccccc4cc4ccccc34)cn2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cnc(-c3c4ccccc4cc4ccccc34)nc2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cnc(-c3c4ccccc4cc4ccccc34)nn2)cc1
|
3-(5-anthracen-9-ylpyridin-2-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole
|
CC(C)N1CCOC(CNCCc2ccc(Cl)cc2Cl)C1
|
2-(2,4-dichlorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
|
CCCc1c(O)ccc(C(=N)C(F)(F)F)c1O
|
2-propyl-4-(2,2,2-trifluoroethanimidoyl)benzene-1,3-diol
|
[2H]C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OP(OCCC(C)(C)C)N(C(C)C)C(C)C.[2H]C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OP(OCCCC)N(C(C)C)C(C)C.[2H]C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OP(OCCCc1ccccc1SSC(C)(C)C)N(C(C)C)C(C)C.[2H]C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OP(OCCc1cc2ncn(C)c2cc1SSC(C)(C)C)N(C(C)C)C(C)C.[2H]C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OP(OCCc1ccccc1)N(C(C)C)C(C)C.[2H]C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OP(OCCc1ccccc1SSC(C)(C)CN(C)C)N(C(C)C)C(C)C.[2H]C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OP(OCCc1ccccc1SSC(C)(C)CN1CCOCC1)N(C(C)C)C(C)C.[2H]C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OP(OCCc1ccccc1SSC(C)(C)Cn1ccnc1)N(C(C)C)C(C)C.[3H]OC.[3H]OC.[3H]OC.[3H]OC.[3H]OC.[3H]OC.[3H]OC.[3H]OC
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1-[(2R,3S,5R)-4-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-[2-[6-(tert-butyldisulfanyl)-1-methylbenzimidazol-5-yl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-[3-[2-(tert-butyldisulfanyl)phenyl]propoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(deuteriomethyl)-4-[2-[2-[[1-(dimethylamino)-2-methylpropan-2-yl]disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(deuteriomethyl)-4-[3,3-dimethylbutoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[(1-imidazol-1-yl-2-methylpropan-2-yl)disulfanyl]phenyl]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[(2-methyl-1-morpholin-4-ylpropan-2-yl)disulfanyl]phenyl]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-phenylethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;tritiooxymethane
|
CCc1onc(C)c1NC(=O)N1CCC(c2noc(C)n2)C1
|
N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
|
Cn1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1=O
|
2-hydroxy-5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]benzoic acid
|
O=C1C2C(C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1)C1C=CC2C12CC2
|
4-[(E)-(4-nitrophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
|
C=CCn1c(SCC(=O)N2CCCC(C(N)=O)C2)nnc1-c1ccoc1C
|
1-[2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-3-carboxamide
|
CC(C)(N)c1c[nH]c2ncccc12
|
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-amine
|
COCCCCCCN1CCCC1C(=O)O
|
1-(6-methoxyhexyl)pyrrolidine-2-carboxylic acid
|
O=[N+]([O-])c1ccc(CO)cc1NC1CCOC1c1ccccc1
|
[4-nitro-3-[(2-phenyloxolan-3-yl)amino]phenyl]methanol
|
Cc1ccc(C)c(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(=O)(=O)N(C)C)c1
|
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
|
O=CO.[Br-].[NH4+]
|
azanium;formic acid;bromide
|
Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C(C)(C)C)CC2)C3=O)cc1
|
2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
|
CC(Cc1ccccn1)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1
|
N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
|
CCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CCCCCCCCCCCC
|
[(6Z,9Z)-20-[[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]amino]-20-oxoicosa-6,9-dienyl] (9Z,12Z)-heptadeca-9,12-dienoate
|
CC(C)CNS(=O)(=O)Nc1ccc(Br)cc1F
|
4-bromo-2-fluoro-N-(2-methylpropylsulfamoyl)aniline
|
CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1
|
N-(3-cyanophenyl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
|
COc1ccc(CN2CCOc3ccccc3CCCCC3(CCN(Cc4c(F)cccc4F)CC3)C2)cc1
|
1'-[(2,6-difluorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]
|
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12)NCCc1ccc(O)cc1
|
2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
|
Cc1nn(C)c(N)c1Cl
|
4-chloro-2,5-dimethylpyrazol-3-amine
|
CC(CC(=O)O)c1ccc(F)c([N+](=O)[O-])c1
|
3-(4-fluoro-3-nitrophenyl)butanoic acid
|
c1cc2cc(C3=NC4(CN5CCC4CC5)ON3)ccn2n1
|
3'-pyrazolo[1,5-a]pyridin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
|
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