SMILES
stringlengths 2
1.22k
| IUPAC
stringlengths 4
2.43k
|
|---|---|
C1=C[C@@H]2[C@@H](c3ccccc3)C[C@@H]2c2ccccc21
|
(2S,2aR,8bS)-2-phenyl-1,2,2a,8b-tetrahydrocyclobuta[a]naphthalene
|
NCc1cc(COCC2CC2)ccc1F
|
[5-(cyclopropylmethoxymethyl)-2-fluorophenyl]methanamine
|
COC(C)CCC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
|
2-[[2-[4-(4-methoxypentanoylamino)phenyl]acetyl]amino]acetic acid
|
CCc1nc(C)c([C@@H](C)N[C@@H](C)Cc2cc(C)[nH]n2)s1
|
(2S)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
|
CCOCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)Nc1c(C)cccc1C
|
N-benzyl-2-[(2,6-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(thiophen-2-ylmethyl)acetamide
|
CCCCCCCC[N+](CC)(CC)CC.[Br-]
|
triethyl(octyl)azanium;bromide
|
CC1(C)NC(=O)N(CCCC(=O)Nc2nc3c(s2)CCCC3)C1=O
|
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
|
COCCN(CCC(N)=S)S(=O)(=O)NCC(C)C
|
3-[2-methoxyethyl(2-methylpropylsulfamoyl)amino]propanethioamide
|
CC(C)CNC(=O)C(C)N1CCNC[C@@H]1C
|
2-[(2S)-2-methylpiperazin-1-yl]-N-(2-methylpropyl)propanamide
|
S=C(NCc1ccc(Br)cc1)NC1CCCCC1
|
1-[(4-bromophenyl)methyl]-3-cyclohexylthiourea
|
O=C(O)NCC(c1c(Br)[nH]c2ccccc12)N(O)Cc1ccccc1
|
[2-[benzyl(hydroxy)amino]-2-(2-bromo-1H-indol-3-yl)ethyl]carbamic acid
|
CC1(C)OC[C@H](c2ccccc2F)[C@@H](CC=CCCCC(=O)O)O1
|
7-[(4R,5S)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxan-4-yl]hept-5-enoic acid
|
CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(C)=O)cc2)C1
|
(3S)-1-(4-acetamidobenzoyl)-N-butylpiperidine-3-carboxamide
|
Cc1ccc(OC[C@@]2(O)COCCN(Cc3ccc(OCCCN4C(=O)CN(C)C4=O)cc3)C2)cc1
|
3-[3-[4-[[(6S)-6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methyl]phenoxy]propyl]-1-methylimidazolidine-2,4-dione
|
CC1(CN)CCN(S(=O)(=O)N2CCC3CCCCC3C2)C1.Cl
|
[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
|
Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CC[NH+](C)CC3)c(=O)[nH]c2c1
|
3-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-methyl-1H-quinolin-2-one
|
COc1cccc(CCNc2cccc(F)c2N)c1
|
3-fluoro-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
|
O=CN1CCNCCN(CC(=O)OCc2ccccc2)CCNCC1
|
benzyl 2-(7-formyl-1,4,7,10-tetrazacyclododec-1-yl)acetate
|
COc1cccc(C2C(C(=O)c3cccs3)N3c4ccc(Cl)cc4C=CC3C23C(=O)c2ccccc2C3=O)c1
|
7-chloro-2-(3-methoxyphenyl)-1-(thiophene-2-carbonyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
|
COC(=O)C[C@@H](CC1CCCCC1)C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1
|
methyl (3R)-4-[[(5R)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-3-(cyclohexylmethyl)-4-oxobutanoate
|
CCc1ccc(/C=N/N=C/c2cc(F)c(Cl)c(F)c2)cc1
|
(E)-N-[(E)-(4-chloro-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine
|
O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc(F)cc1F
|
2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
|
C#CCN(CC)c1ccc(Br)cc1C(C)=O
|
1-[5-bromo-2-[ethyl(prop-2-ynyl)amino]phenyl]ethanone
|
CCCNC(c1cccc(I)c1)C(C)(C)C
|
1-(3-iodophenyl)-2,2-dimethyl-N-propylpropan-1-amine
|
COCCc1ccc(-c2cnc(C(N)CC(C)C)[nH]2)cc1
|
1-[5-[4-(2-methoxyethyl)phenyl]-1H-imidazol-2-yl]-3-methylbutan-1-amine
|
C=CCOc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1
|
3-(4-chlorophenyl)sulfanyl-N-(4-prop-2-enoxyphenyl)propanamide
|
Cc1cc(Br)cnc1NCCOCC(F)F
|
5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-3-methylpyridin-2-amine
|
[CH2-]CCSC1CCCC1.[Li+]
|
lithium;propylsulfanylcyclopentane
|
COC(=O)Nc1ccc(-c2nc([C@H](Cc3ccc(OC)nc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1
|
methyl N-[4-[5-chloro-2-[(1S)-1-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-(6-methoxypyridin-3-yl)ethyl]-1H-imidazol-4-yl]phenyl]carbamate
|
C=CC(C)[C@H]1C[C@]2([C@H](C)Cc3cc(F)c(OC)cc3F)OCCC2=CC1=O
|
(6R,7aR)-6-but-3-en-2-yl-7a-[(2R)-1-(2,5-difluoro-4-methoxyphenyl)propan-2-yl]-2,3,6,7-tetrahydro-1-benzofuran-5-one
|
N/C(=C\N(N)CCCCCCCC(=O)O)c1cccnc1
|
8-[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]octanoic acid
|
Cc1c(C)c(C)c(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)c(C)c1C
|
2,3,4,5,6-pentamethyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
|
CC(NC(=O)c1nn(C)c2ccccc12)C1=CCCCC1
|
N-[1-(cyclohexen-1-yl)ethyl]-1-methylindazole-3-carboxamide
|
COc1ccc(Br)cc1C(Cl)C(F)F
|
4-bromo-2-(1-chloro-2,2-difluoroethyl)-1-methoxybenzene
|
COc1cccc(OC)c1C(=O)N1CCN(c2cc(C)c3ccccc3n2)CC1
|
(2,6-dimethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
|
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@H](CO)O[C@@H]1NC(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)[O-])cc1)C(=O)N[C@@H](C(=O)O)C(C)C.[Na+]
|
sodium;[4-[(2S)-2-[[(2R)-2-acetamido-4-[[(2S,3R,4R,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-4-oxobutanoyl]amino]-3-[[(1R)-1-carboxy-2-methylpropyl]amino]-3-oxopropyl]phenyl] sulfate
|
COc1ccc(C(O)=[OH+])c(CC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
|
[hydroxy-[4-methoxy-2-[3-(4-nitrophenyl)-2-oxopropyl]phenyl]methylidene]oxidanium
|
CNCCC1CCCCN1Cc1ncc(Cl)n1C
|
2-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]-N-methylethanamine
|
CNCc1cc(S(=O)(=O)NC2CCCC(C)CC2)c(C)o1
|
2-methyl-5-(methylaminomethyl)-N-(4-methylcycloheptyl)furan-3-sulfonamide
|
Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OC[C@@]2(F)CCNC2)cn1
|
N-[5-[5-[[(3R)-3-fluoropyrrolidin-3-yl]methoxy]-2-methylpyridin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
|
COc1ccc(C=O)cc1OCc1csc(C)n1
|
4-methoxy-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
|
CC1OC1S(=O)(=O)O
|
3-methyloxirane-2-sulfonic acid
|
Cc1ncc(CC(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)c(=O)[nH]1
|
5-[2-[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
|
Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1
|
(4R,5S)-5-(1-methylpyrrol-2-yl)-1-[4-(4-nitrophenyl)sulfanylphenyl]-4-pyridin-2-ylimidazolidine-2-thione
|
C.C.CC(C)[C@H]1C=Cc2c(cn(C)c2C(=O)Nc2ccc(F)c(C#N)c2)S(=N)(=O)N1.CC(C)[C@H]1C=Cc2c(cn(C)c2C(=O)Nc2ccc(F)c(C#N)c2)S(=O)(=N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1
|
(3S)-1-[tert-butyl(diphenyl)silyl]imino-N-(3-cyano-4-fluorophenyl)-7-methyl-1-oxo-3-propan-2-yl-2,3-dihydropyrrolo[3,4-f]thiazepine-6-carboxamide;(3S)-N-(3-cyano-4-fluorophenyl)-1-imino-7-methyl-1-oxo-3-propan-2-yl-2,3-dihydropyrrolo[3,4-f]thiazepine-6-carboxamide;methane
|
CC(=O)c1cnn(-c2ccc(C#N)c(N)n2)c1C(F)(F)F
|
6-[4-acetyl-5-(trifluoromethyl)pyrazol-1-yl]-2-aminopyridine-3-carbonitrile
|
CC(=O)c1ccc(OCc2ccccc2)cc1C(F)(F)F
|
1-[4-phenylmethoxy-2-(trifluoromethyl)phenyl]ethanone
|
CCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc4ccc(OC(=O)c5ccc(OC(=O)c6ccc(OCCCCCCCCCCCC)cc6)cc5)c(C)c4c3)cc2)cc1
|
[4-(4-dodecoxybenzoyl)oxyphenyl] 7-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxy-8-methylnaphthalene-2-carboxylate
|
Brc1sc(Nc2ccccc2)nc1-c1ccc(-c2nc(Nc3ccccc3)sc2Br)cc1
|
4-[4-(2-anilino-5-bromo-1,3-thiazol-4-yl)phenyl]-5-bromo-N-phenyl-1,3-thiazol-2-amine
|
Cc1ccc(C(=O)CS(=O)(=O)C(C)C(C)C)c(C)c1
|
1-(2,4-dimethylphenyl)-2-(3-methylbutan-2-ylsulfonyl)ethanone
|
CN(C)C1CCN(Cc2ccc(CNC(C)(C)C)o2)CC1
|
1-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
|
CCn1cc(CC(N)=O)c(=O)c2cc(O)c(O)c(F)c21
|
2-(1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinolin-3-yl)acetamide
|
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCC(=O)O
|
7-docosanoyloxydodecanoic acid
|
COC(=O)c1cc(CS)ccc1F
|
methyl 2-fluoro-5-(sulfanylmethyl)benzoate
|
O=C(O)c1cc2c(Br)csc2nc1C(=O)O
|
3-bromothieno[2,3-b]pyridine-5,6-dicarboxylic acid
|
Cn1ncnc1Sc1ccccc1CNC(C)(C)C
|
2-methyl-N-[[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methyl]propan-2-amine
|
Cn1c(C2CC2)nc2cc(C(=O)NCc3ccco3)ccc21
|
2-cyclopropyl-N-(furan-2-ylmethyl)-1-methylbenzimidazole-5-carboxamide
|
Cn1cnc2c1c(=O)n(CCCCCCCCCCCN)c(=O)n2C
|
1-(11-aminoundecyl)-3,7-dimethylpurine-2,6-dione
|
O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(F)cc1
|
(3S,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
|
Cc1nn(Cc2ccccc2)c(C)c1CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
|
CCCCCCCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCC
|
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-tricosoxypropan-2-yl] nonadecanoate
|
Cc1cc(N2CCOC(C)(C)C2)ccc1C(=N)N
|
4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzenecarboximidamide
|
CC(C)[C@@H](C(=O)N[C@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)Cc1ccccc1)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)Cc1ccccc1
|
tert-butyl N-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-1-[[(2R,3R,4R,5R)-5-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
|
CC(=O)OC[C@H]1O[C@@H](n2cc(C(N)=O)c(N)nc2=O)[C@H](OC(C)=O)[C@H]1OS(=O)(=O)c1ccc(C)cc1
|
[(2R,3S,4R,5R)-4-acetyloxy-5-(4-amino-5-carbamoyl-2-oxopyrimidin-1-yl)-3-(4-methylphenyl)sulfonyloxyoxolan-2-yl]methyl acetate
|
CC(NC(=O)COC(=O)CCCc1c[nH]c2ccccc12)C1CC1
|
[2-(1-cyclopropylethylamino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
|
CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(N(C)C)cc2)(c2ccccc2)CC1
|
N-[[4-(dimethylamino)phenyl]methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
|
C[N+]1(C)CCN2c3ccccc3[P+](c3ccccc3)(c3ccccc3)[C@H]21
|
(3aR)-3,3-dimethyl-4,4-diphenyl-2,3a-dihydro-1H-imidazo[1,2-a][1,3]benzazaphosphole-3,4-diium
|
COc1c(C)cnc(CNC(CC(C)C)C(=O)O)c1C
|
2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylamino]-4-methylpentanoic acid
|
Cc1ccc(NS(=O)(=O)C[C@H](C)c2ccccc2)cc1C(N)=O
|
2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide
|
CN1CC(C)(O)CC2c3cccc4[nH]cc(c34)CC21
|
7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-ol
|
Cc1cnc2ccc(-c3nc(C(=O)NC[C@H]4CCN(C(=O)C5CC5)C4)c(N)nc3-c3ncco3)cn12
|
3-amino-N-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
|
COc1ccc(C(=O)NC(C)(C)CCC(=O)O)c(O)c1
|
4-[(2-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid
|
CC(C)OC(=O)[C@H](C)CP(=O)(OC[C@@H]1CC(O)[C@H](n2ccc(=O)[nH]c2=O)O1)Oc1ccccc1.CC(C)OC(=O)[C@H](C)CP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(O)[C@H]1F)Oc1ccccc1.CO[C@@H]1C(O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COP(=O)(C[C@@H](C)C(=O)OC(C)C)Oc1ccccc1.CO[C@@H]1C(O)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1CO.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)CC1O
|
2-amino-9-[(2R,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-1H-purin-6-one;(2R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;propan-2-yl (2S)-3-[[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate
|
CC(/C=C/C(O)=C1\C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O)=C\[C@H](C)[C@H](C)O
|
(3E,5S)-3-[(2E,4E,6S,7S)-1,7-dihydroxy-4,6-dimethylocta-2,4-dienylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
|
CCOc1ccc(CCC(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1
|
3-(4-ethoxyphenyl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
|
CN1CCCc2cc(N3CCC(n4cccn4)CC3)ccc21
|
1-methyl-6-(4-pyrazol-1-ylpiperidin-1-yl)-3,4-dihydro-2H-quinoline
|
CCS(=S)COC1C[C@H](n2cc(C#CCNC(=O)NCCCCCOCSSC(C)(C)CCOC(=O)CCCOCCOCCNC(=O)c3ccc(C(=O)O)c(-c4c5ccc(=[NH2+])cc-5oc5cc(N)ccc45)c3)c(=O)[nH]c2=O)O[C@@H]1OP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=S(=O)=O.O=S(=O)=O
|
[6-amino-9-[2-carboxy-5-[2-[2-[4-[3-[5-[3-[1-[(2R,5R)-4-(ethylsulfinothioylmethoxy)-5-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoylamino]pentoxymethyldisulfanyl]-3-methylbutoxy]-4-oxobutoxy]ethoxy]ethylcarbamoyl]phenyl]xanthen-3-ylidene]azanium;sulfur trioxide
|
OC(CSc1ccccc1)Cc1ccc(F)cc1Cl
|
1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol
|
CCC(=CCNCC1CCCCC1O)C(=O)O
|
2-ethyl-4-[(2-hydroxycyclohexyl)methylamino]but-2-enoic acid
|
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2
|
ethyl (2Z,5S)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
|
CC(C)N1CC[N-]C2(CCC2)C1.[Re]
|
8-propan-2-yl-8-aza-5-azanidaspiro[3.5]nonane;rhenium
|
CCCCC/C=C\C/C=C\CCCCCCCC(=O)[C@H]1C=C(C)[C@H](/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C1
|
(9Z,12Z)-1-[(1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-yl]octadeca-9,12-dien-1-one
|
[C-]#[N+][C@H]1C(=O)N(C(C(=O)O)=C(C)C)[C@@H]1CC=C
|
2-[(3R,4R)-3-isocyano-2-oxo-4-prop-2-enylazetidin-1-yl]-3-methylbut-2-enoic acid
|
COC1CC(n2c(=O)c(N3CCN(C(=O)OC(C)(C)C)c4c(C)cccc43)cc3cnc(S(C)=O)nc32)C1
|
tert-butyl 4-[8-(3-methoxycyclobutyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-8-methyl-2,3-dihydroquinoxaline-1-carboxylate
|
O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NNC(=O)c1ccccc1O
|
N'-[3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]propanoyl]-2-hydroxybenzohydrazide
|
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(P(=O)(Oc3ccccc3)Oc3ccccc3)[C@H](C)[C@H]12
|
(4R,5S,6S)-3-diphenoxyphosphoryl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
|
Cc1cccc(-n2c(SCC(=O)NC(C)c3ccccc3)nnc2-c2c[nH]c3ccccc23)c1
|
2-[[5-(1H-indol-3-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
|
CCNc1ccc(C(=O)NC(C)CSCC)nn1
|
6-(ethylamino)-N-(1-ethylsulfanylpropan-2-yl)pyridazine-3-carboxamide
|
COCCn1c(C(=O)OC)c(NC(=O)Cc2ccccc2)c2cc(N[C@@H](C)CCO)cnc21
|
methyl 5-[[(2S)-4-hydroxybutan-2-yl]amino]-1-(2-methoxyethyl)-3-[(2-phenylacetyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate
|
CC1(O)CCC(Nc2c(C(N)=O)cnn3cc(-c4cccnc4)cc23)CC1
|
4-[(4-hydroxy-4-methylcyclohexyl)amino]-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
|
CCc1ccc(/C=C/C(=O)NCCCC(C)C(=O)O)cc1
|
5-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-methylpentanoic acid
|
CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(ccc6oc(-c7ccccc7)nc65)c4)cc3)c3cccc(-c4ccccc4)c3)cc21
|
9,9-dimethyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
|
CCNS(=O)(=O)NCC(c1ccc2c(c1)OCO2)N1CCCC1
|
2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine
|
c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4ccccc4C54c5cccc6ccc7cccc4c7c56)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6-5)c5cccc6ccc7cccc4c7c56)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccccc4C54c5cccc6ccc7cccc4c7c56)n3)c2)cc1
|
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine
|
CC/C=C\CC(=O)C(=O)C/C=C\c1ccc(OC)c(OC2CC(C)(C)N(O)C(C)(C)C2)c1
|
(1Z,7Z)-1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-methoxyphenyl]deca-1,7-diene-4,5-dione
|
COc1cc(C)c(-c2nn3c(C)cc(C(C)C)c3c(=O)n2C)cc1F
|
2-(5-fluoro-4-methoxy-2-methylphenyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
|
[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2C(=C(C)C)N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt+2]
|
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-propan-2-ylidenebenzimidazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butylpyridin-2-yl)-1H-carbazol-1-ide;platinum(2+)
|
COC(=O)c1ccc2c(c1)N(Cc1ccc(OC)cc1)C(=O)C(C)(C)O2
|
methyl 4-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylate
|
CCC(C)NCCOCCOc1ccc(Br)cc1Cl
|
N-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]butan-2-amine
|
CCS(=O)(=O)c1cccc(Nc2cc(Nc3ccc(Br)cc3)ncn2)c1
|
6-N-(4-bromophenyl)-4-N-(3-ethylsulfonylphenyl)pyrimidine-4,6-diamine
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.