SMILES
stringlengths 2
756
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stringlengths 6
1.26k
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Cc1ccc(C(O)C(C)N2CCC3CCCCC32)cc1
|
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-methylphenyl)propan-1-ol
|
CNc1c(Cl)cc2c3c(cccc13)C(=O)N(C1CCN(C)CC1)C2=O
|
5-chloro-6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
|
COC(=O)[C@H](C)NC(=O)COc1ccccc1C#N
|
methyl (2S)-2-[[2-(2-cyanophenoxy)acetyl]amino]propanoate
|
CC1CN(C2CC2)C(=O)CN1C=C(C(=O)O)C(=O)O
|
2-[(4-cyclopropyl-2-methyl-5-oxopiperazin-1-yl)methylidene]propanedioic acid
|
CCn1nc(-c2ccnn2C)c(CCl)c1Cl
|
5-chloro-4-(chloromethyl)-1-ethyl-3-(2-methylpyrazol-3-yl)pyrazole
|
I.NC(N)=NCC(C(=O)N1CCOCC1)c1ccccc1
|
2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
|
Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1
|
(3R)-N-(4-chloro-2-methylphenyl)-1-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
|
CCN(C(C)C)C1CCC(C)CC1
|
N-ethyl-4-methyl-N-propan-2-ylcyclohexan-1-amine
|
Cc1ccc(S(=O)(=O)OCC2(C)CCCO2)cc1
|
(2-methyloxolan-2-yl)methyl 4-methylbenzenesulfonate
|
CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc(N2CCCCC2)n1CC1CCCO1
|
3,3-dimethyl-4-[2-[[4-(oxolan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1H-quinoxalin-2-one
|
CC(C(=O)NC(N)=O)N1CCC(=NO)c2ccccc21
|
N-carbamoyl-2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propanamide
|
COC(=O)c1[nH]c2ccnc(C3CC3)c2c1N
|
methyl 3-amino-4-cyclopropyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
|
COc1nc(N)nc2c1ncn2C(C)CC(COP1NC(C(=O)OCc2ccccc2)CCCS1)OC
|
benzyl 2-[4-(2-amino-6-methoxypurin-9-yl)-2-methoxypentoxy]-1,3,2-thiazaphosphepane-4-carboxylate
|
CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2c1CCCC2.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(F)c(F)cc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(F)ccc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2ccccc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cnccc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2ncccc12
|
(5R)-5-[(2-amino-6,7-difluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoroquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-5-methylnonan-2-one
|
Cc1cncc(-c2cnc(C(=O)O)nc2)c1
|
5-(5-methylpyridin-3-yl)pyrimidine-2-carboxylic acid
|
CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])cn1C)c1cccc2ccccc12
|
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate
|
COCc1nnc(-n2nnc(C(=O)O)c2C(C)(C)C)s1
|
5-tert-butyl-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxylic acid
|
N#Cc1ncccc1CN1CCC(C=O)CC1
|
3-[(4-formylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
|
CC(C)(S)NC(=O)COCCOCCOCCOCCNC(=O)C(C)(C)C
|
2,2-dimethyl-N-[2-[2-[2-[2-[2-oxo-2-(2-sulfanylpropan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
|
CN(Cc1ccccc1)C1COC1
|
N-benzyl-N-methyloxetan-3-amine
|
Cn1cc(-c2nn(C)c(C(=O)Nc3ccnc(C(F)(F)F)c3)c2C(F)(F)F)c(C2CC2)n1
|
5-(3-cyclopropyl-1-methylpyrazol-4-yl)-2-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)pyridin-4-yl]pyrazole-3-carboxamide
|
O=C(NCc1c(F)cc(F)cc1F)N1CCCC(N2CCCC2=O)CC1
|
4-(2-oxopyrrolidin-1-yl)-N-[(2,4,6-trifluorophenyl)methyl]azepane-1-carboxamide
|
O=C(CCn1ccccc1=O)N1CCCCC1c1cccc(F)c1
|
1-[3-[2-(3-fluorophenyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
|
CC(C)(C)OC(=O)NC1CCC(Nc2cc(C(=O)NC3C[C@H]4CC[C@H](C3)N4c3ccc(C(N)=O)cn3)ccc2C#N)CC1
|
tert-butyl N-[4-[5-[[(1R,5R)-8-(5-carbamoylpyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]carbamoyl]-2-cyanoanilino]cyclohexyl]carbamate
|
CNC(=O)C1CCCN(c2ncc(C=O)cn2)C1
|
1-(5-formylpyrimidin-2-yl)-N-methylpiperidine-3-carboxamide
|
COC(=O)c1c[nH]cc1-c1ccc([N+](=O)[O-])cc1
|
methyl 4-(4-nitrophenyl)-1H-pyrrole-3-carboxylate
|
NCC1CCCC1NC(=O)C1CC=CCC1c1nc2ccccc2s1
|
N-[2-(aminomethyl)cyclopentyl]-6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxamide
|
CN1CCC(N(C)CCC2CCNCC2)CC1
|
N,1-dimethyl-N-(2-piperidin-4-ylethyl)piperidin-4-amine
|
CC1CCCCN1CCCN1C2CCCC1CC(N)C2
|
9-[3-(2-methylpiperidin-1-yl)propyl]-9-azabicyclo[3.3.1]nonan-3-amine
|
Cc1ccc2c(c1)C(C)(C)C(=CC=C1CCCC(C=CC3=[N+](CCCCS(=O)(=O)O)c4ccccc4C3(C)C)=C1C(C)(C)C)N2CCCCS(=O)(=O)O
|
4-[2-[2-[2-tert-butyl-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3,5-trimethylindol-1-yl]butane-1-sulfonic acid
|
Clc1ccc(CC(Cl)C2C3C4CCC(C4)C23)cc1Cl
|
3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]tricyclo[3.2.1.02,4]octane
|
CCC1CCC2C(N)=Nc3cc(NCc4cccc(Cl)c4)c(Cl)cc3C12
|
8-chloro-7-N-[(3-chlorophenyl)methyl]-1-ethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinoline-4,7-diamine
|
C=C(CO)C1CC[C@@H]2[C@]3(CC[C@]4(C)[C@H](C(C)CCC=C(C)C=O)CC[C@@]24C)C[C@]13CCC(=O)O
|
3-[(1S,4R,5S,8S,9S,13R)-12-(3-hydroxyprop-1-en-2-yl)-4,8-dimethyl-5-(6-methyl-7-oxohept-5-en-2-yl)-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid
|
CCNCCC(=O)NCCNCCC(=O)NCCNC(=O)CN(CP(=O)(OC)OC)CP(=O)(OC)OC
|
N-[2-[[3-[2-[[2-[bis(dimethoxyphosphorylmethyl)amino]acetyl]amino]ethylamino]-3-oxopropyl]amino]ethyl]-3-(ethylamino)propanamide
|
CNC1CCCCC(c2cccc(OC3CC3)c2)C1
|
3-(3-cyclopropyloxyphenyl)-N-methylcycloheptan-1-amine
|
OCc1ccc(C2CC2)c(Br)c1
|
(3-bromo-4-cyclopropylphenyl)methanol
|
O=C(NN=Cc1ccc(O)cc1)NNCCO
|
1-(2-hydroxyethylamino)-3-[(4-hydroxyphenyl)methylideneamino]urea
|
Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CN3CCCCC3c3cnn(C)c3)cc2Cl)cccc1-c1cccc(OCC2CCCN(C)C2)c1Cl
|
5-[[4-chloro-5-[[3-[2-chloro-3-[(1-methylpiperidin-3-yl)methoxy]phenyl]-2-methylphenyl]methoxy]-2-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine-3-carbonitrile
|
CCOc1cccc(N2C(=O)C(SCCO)=C(c3ccc(F)cc3)C2=O)c1
|
1-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethylsulfanyl)pyrrole-2,5-dione
|
COc1ccccc1CNC(=O)c1cc(Nc2ccccc2C)nc2ccccc12
|
N-[(2-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide
|
COc1ccc(-c2nnc(SCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)n2CC(C)C)cc1
|
N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
|
CCc1ccc(N(C2CCN(Cc3ccsc3)CC2)S(=O)(=O)c2ccccc2)cc1
|
N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
|
CC1=NC2(c3ccc(F)c(Cc4ccc(OC(C)C)cc4)c3)O[C@H](CO)[C@@H](O)[C@H](O)C2O1
|
(5R,6S,7S)-3a-[4-fluoro-3-[(4-propan-2-yloxyphenyl)methyl]phenyl]-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydropyrano[2,3-d][1,3]oxazole-6,7-diol
|
C/C=C/P(OS(=O)(=O)ON1C(=O)N2C[C@H]1C(C)=C[C@H]2C(=O)NCc1cc(OCc2ccc(OC)cc2)c(OCc2ccc(OC)cc2)cn1)(c1ccccc1)(c1ccccc1)c1ccccc1
|
[(2S,5R)-2-[[4,5-bis[(4-methoxyphenyl)methoxy]pyridin-2-yl]methylcarbamoyl]-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl] [triphenyl-[(E)-prop-1-enyl]-λ5-phosphanyl] sulfate
|
O=C(O)CCC(=O)O.O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1.[HH]
|
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;butanedioic acid;molecular hydrogen
|
CCCCC(NC(=O)CC(CN)OC)C1CCC1
|
4-amino-N-(1-cyclobutylpentyl)-3-methoxybutanamide
|
CC(C)(C)OC(=O)CCN1CCC(C(C)(C)C)CCC1=O
|
tert-butyl 3-(5-tert-butyl-2-oxoazepan-1-yl)propanoate
|
CC(C)(C(=O)OCC1CC=CCC1)[N+](C)(C)C
|
[1-(cyclohex-3-en-1-ylmethoxy)-2-methyl-1-oxopropan-2-yl]-trimethylazanium
|
COc1ccc(C2CCN(C(=O)c3ccc(/C=C/c4ccncc4)cc3)CC2)cc1
|
[4-(4-methoxyphenyl)piperidin-1-yl]-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]methanone
|
COc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2ccccc21
|
N-[(3S)-1-[(2-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
|
CCC(C)(CCBr)NS(=O)(=O)c1cc(C)ccc1C
|
N-(1-bromo-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
|
N.c1cc2c(s1)CC2
|
azane;2-thiabicyclo[3.2.0]hepta-1(5),3-diene
|
Nc1ccc2c(c1)CCCC2NC(=O)CCOCc1ccccc1
|
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-phenylmethoxypropanamide
|
CCn1c(-c2ccccc2F)nc2c(OC)cccc21
|
1-ethyl-2-(2-fluorophenyl)-4-methoxybenzimidazole
|
CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccccn3)C2=S)cc1
|
2-[(4S)-1-(4-ethoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
|
O=C(OCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21)c1ccc(O)cc1O
|
[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
|
OCCC1OC1C(O)CO
|
1-[3-(2-hydroxyethyl)oxiran-2-yl]ethane-1,2-diol
|
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)NCC2CCCO2)c2ccc(O)c(OC)c2)cc1
|
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(4-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
|
Nc1ccc(-c2nc(-c3cncs3)no2)s1
|
5-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
|
CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(C(=O)Nc1ccc(-c2c(C)cc(C)cc2C)cc1F)c1ccc(OC(F)(F)F)cc1
|
3-[[4-[(3S)-1-[2-fluoro-4-(2,4,6-trimethylphenyl)anilino]-1-oxo-2-[4-(trifluoromethoxy)phenyl]hexan-3-yl]benzoyl]amino]propanoic acid
|
C[C@H]1SC(N)=N[C@@]2(c3cc(Br)ccc3F)COCC[C@@H]12
|
(4R,4aR,8aS)-8a-(5-bromo-2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
|
CCCNC(c1occc1Br)c1nccc2ccccc12
|
N-[(3-bromofuran-2-yl)-isoquinolin-1-ylmethyl]propan-1-amine
|
CCN(CC)CCCNc1ncc(Cl)cc1Br
|
N-(3-bromo-5-chloropyridin-2-yl)-N',N'-diethylpropane-1,3-diamine
|
c1ccc(-c2ccc(Nc3ccc4c(c3)CCCCCc3ccccc3-4)cc2)cc1
|
N-(4-phenylphenyl)tricyclo[11.4.0.02,7]heptadeca-1(17),2(7),3,5,13,15-hexaen-5-amine
|
O=S(=O)(Cc1cccnc1)c1ccc(Cl)cc1
|
3-[(4-chlorophenyl)sulfonylmethyl]pyridine
|
O=C1c2ccccc2C(O)C1O
|
2,3-dihydroxy-2,3-dihydroinden-1-one
|
CCc1nc(C(C)NC(=O)/C=C/c2ccco2)cs1
|
(E)-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(furan-2-yl)prop-2-enamide
|
CCOc1ccc2[nH]c(C)c(CN3CCCC(C)C3)c(=O)c2c1
|
6-ethoxy-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
|
COc1ccc(C(C)=O)cc1.COc1ccc2cc(OC)ccc2c1
|
2,6-dimethoxynaphthalene;1-(4-methoxyphenyl)ethanone
|
Cn1c(N2CCNC(c3c(F)cccc3F)C2)nc(-c2ccncc2)cc1=O
|
2-[3-(2,6-difluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
|
O=C(/C=C/c1cc2c(cn1)[nH]c1ccccc12)N1CCN(c2ccccc2F)CC1
|
(E)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(9H-pyrido[3,4-b]indol-3-yl)prop-2-en-1-one
|
Cc1cc(=O)n(C(C)C(=O)OC(C)C)cc1[N+](=O)[O-]
|
propan-2-yl 2-(4-methyl-5-nitro-2-oxopyridin-1-yl)propanoate
|
CCc1ccc(C(NC)c2ccc(C)c(F)c2)cc1CC
|
1-(3,4-diethylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
|
NC12CNCCNCC(NCc3ccc(C(=O)O)cc3)(CNCCNC1)CNCCNC2
|
4-[[(8-amino-3,6,10,13,16,19-hexazabicyclo[6.6.6]icosan-1-yl)amino]methyl]benzoic acid
|
COc1ccccc1CN(CCN(C)C)Cc1ccccc1
|
N'-benzyl-N'-[(2-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
|
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)CC3OC1CC(NCCOCC(OC(C)=O)OC(C)=O)C(O)C(C)O1.Cl
|
[1-acetyloxy-2-[2-[[3-hydroxy-2-methyl-6-[[(3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]ethoxy]ethyl] acetate;hydrochloride
|
Cc1c(C(=O)Nc2nc(C3CCNCC3)nn2C)cnn1Cc1ccccc1.Cl
|
1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride
|
CC(C)C1(N)CC(N)=NC=C1c1ccn(CCC(F)(F)F)n1
|
4-propan-2-yl-5-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3H-pyridine-2,4-diamine
|
CCn1c(=O)c2cc3cc4ccc5cc6cc7c(=O)[n-]c(=O)c7cc6cc5ccc4cc3cc2c1=O.[CH3-].[Y].[Y]
|
carbanide;10-ethyl-10-aza-25-azanidaheptacyclo[17.11.0.04,16.06,14.08,12.021,29.023,27]triaconta-1(30),2,4,6,8(12),13,15,17,19,21,23(27),28-dodecaene-9,11,24,26-tetrone;yttrium
|
CS(=O)(=O)O.Cc1cc(C)c(Cc2ccccc2CO)c(C)c1.Cc1cc(C)c(N)c(C)c1.Cc1cc(C)c(Nc2ccc(C(=C3C=CC(=[NH+]c4c(C)cc(C)cc4C)C(CO)=C3)c3ccccc3S(=O)(=O)[O-])cc2CO)c(C)c1.Cc1cc(C)c(Nc2ccc(C(c3ccc(Nc4c(C)cc(C)cc4C)c(CO)c3)c3ccccc3S(=O)(=O)O)cc2CO)c(C)c1.Cc1cc(C)c([NH+]=C2C=CC(=C(c3ccc(Nc4c(C)cc(C)c(S(=O)[O-])c4C)c(CO)c3)c3ccccc3S(=O)(=O)[O-])C=C2CO)c(C)c1.O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl.O=Cc1ccccc1S(=O)(=O)[O-].OCc1ccccc1Br.[Na+].[Na+]
|
disodium;2-[bis[3-(hydroxymethyl)-4-(2,4,6-trimethylanilino)phenyl]methyl]benzenesulfonic acid;(2-bromophenyl)methanol;2-formylbenzenesulfonate;2-[[3-(hydroxymethyl)-4-(2,4,6-trimethylanilino)phenyl]-[3-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate;2-[[3-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]-[3-(hydroxymethyl)-4-(2,4,6-trimethyl-3-sulfinatoanilino)phenyl]methyl]benzenesulfonate;methanesulfonic acid;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;2,4,6-trimethylaniline;[2-[(2,4,6-trimethylphenyl)methyl]phenyl]methanol
|
CCCCN1CCC(Nc2ccc3cnccc3c2)C1
|
N-(1-butylpyrrolidin-3-yl)isoquinolin-6-amine
|
CC(CO)c1cccc(COS(C)(=O)=O)c1
|
[3-(1-hydroxypropan-2-yl)phenyl]methyl methanesulfonate
|
CNCCc1nc(-c2cc(C)ccc2OC)c(C)[nH]1
|
2-[4-(2-methoxy-5-methylphenyl)-5-methyl-1H-imidazol-2-yl]-N-methylethanamine
|
O=C1/C(=C\c2ncc[nH]2)c2ccccc2/C1=C/c1ncc[nH]1
|
(1Z,3Z)-1,3-bis(1H-imidazol-2-ylmethylidene)inden-2-one
|
CC(C)(C)N(C(=O)O)[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4CCOC4)c23)C1
|
[(3R)-1-[5-bromo-3-(oxolane-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]-tert-butylcarbamic acid
|
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c2cccnc12
|
4-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine
|
Cc1nc(CC(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cs1
|
2-(2-methyl-1,3-thiazol-4-yl)-N-[(9S)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl]acetamide
|
Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)c4oc5ccccc5c14)c1cc4c(cc1B3c1ccccc1N2c1ccc2c(c1)C(C)(C)CCC2(C)C)C(C)(C)CC4(C)C
|
14-(4-tert-butyldibenzofuran-1-yl)-11,18,18,20,20-pentamethyl-8-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene
|
CCNC(=O)Nc1cc(C#CCN)ccc1C
|
1-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-ethylurea
|
COCC1CCN(C(=O)Cc2ccc(C(=O)O)cc2)C1
|
4-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzoic acid
|
CNCc1ccc(N(C)C(C)CSC)c(F)c1
|
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline
|
CCOc1nc(N)nc2c1nc(I)n2C1O[C@H](CO)[C@@H](O)[C@@]1(C)O
|
(3R,4R,5R)-2-(2-amino-6-ethoxy-8-iodopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
|
COC(=O)CC1(NC(=O)c2ccc(C3(F)COC3)c(OCC3CC3)n2)CSC1
|
methyl 2-[3-[[6-(cyclopropylmethoxy)-5-(3-fluorooxetan-3-yl)pyridine-2-carbonyl]amino]thietan-3-yl]acetate
|
O=C(NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)c1cccc(F)c1
|
N-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-fluorobenzamide
|
c1ccc(-n2c3cc(-c4cccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)c4)ccc3c3ccc4ccccc4c32)cc1
|
9-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-11-phenylbenzo[a]carbazole
|
COCCC[N+](C)(C)CCCCCC(=O)O.Cl
|
5-carboxypentyl-(3-methoxypropyl)-dimethylazanium;hydrochloride
|
CCOC(=O)/C=C/c1cccc(NC(=O)C(=O)NCC(C)(C)CNC(=O)c2ccc(Nc3nc(NC4(c5ccc(Cl)cc5)CC4)nc(OCC(F)(F)F)n3)cc2)c1
|
ethyl (E)-3-[3-[[2-[[3-[[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]amino]-2,2-dimethylpropyl]amino]-2-oxoacetyl]amino]phenyl]prop-2-enoate
|
CCC(C)(NC(=O)CCc1nc(C2CCCC2)no1)C(=O)O
|
2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-methylbutanoic acid
|
CC(=O)C(Br)C(C)c1c(C)cc(Br)cc1C
|
3-bromo-4-(4-bromo-2,6-dimethylphenyl)pentan-2-one
|
BrCCCCCc1cc(CCCCCBr)c(CCCCCBr)cc1CCCCCBr
|
1,2,4,5-tetrakis(5-bromopentyl)benzene
|
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