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Please write the SMILES representation of the molecule chlorogold;triethylphosphane . | CCP(CC)CC;CCP(CC)CC;Cl[Au] |
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Please write the SMILES representation of the molecule 5-ethyl-6-pentadecylphenanthridin-5-ium-3,8-diamine . | CCCCCCCCCCCCCCCC1=C2C=C(N)C=CC2=C2C=CC(N)=CC2=[N+]1CC |
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Can you give the SMILES notation of the molecule (8S,9S,10R,13S,14S,17S)-17-(N-methoxy-C-methylcarbonimidoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one ? | CON=C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |
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7-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione is the IUPAC name of a molecule. Please give its SMILES representation. | COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(=O)CO)CC3OC3CC(N(CC4=CC=CC=C4)CC4=CC=CC=C4)C(O)C(C)O3)C(O)=C1C2=O |
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2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid is the IUPAC name of a molecule. Please give its SMILES representation. | O=C(O)C1=CC=CC=C1C1=C2C=C3CCC[N+]4=C3C(=C2OC2=C1C=C1CCCN3CCCC2=C13)CCC4 |
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Could you provide the SMILES for N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2-amino-3-methylpentanamide;hydrochloride ? | CCC(C)C(N)C(=O)NC1CC(OC2CC(O)(C(C)=O)CC3=C(O)C4=C(C(=O)C5=C(OC)C=CC=C5C4=O)C(O)=C32)OC(C)C1O;Cl |
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Please write the SMILES representation of the molecule 1-(1-benzyl-5-nitrobenzimidazol-2-yl)-N-[(2-nitrophenyl)methoxy]methanimine . | O=[N+]([O-])C1=CC=C2C(=C1)N=C(C=NOCC1=CC=CC=C1[N+](=O)[O-])N2CC1=CC=CC=C1 |
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N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide The above is the IUPAC name of a molecule. Write its SMILES notation. | CN(C)CCNS(=O)(=O)C1=CC=CC2=CC=CN=C12 |
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What is the SMILES representation of the molecule with IUPAC name 7-fluorobenzo[f]quinoline ? | FC1=CC=CC2=C1C=CC1=NC=CC=C12 |
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The IUPAC name of a certain molecule is 3-hydroxy-2-(2-methylpropyl)pyran-4-one . Can you provide its SMILES representation? | CC(C)CC1=C(O)C(=O)C=CO1 |
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Convert the IUPAC name of a molecule 1-[1,1-dichloroethyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene into SMILES representation. | COC1=CC=C(OP(=O)(OC2=CC=C(OC)C=C2)C(C)(Cl)Cl)C=C1 |
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Please identify the SMILES representation of the molecule named 2-(dimethylamino)ethyl 2-(carbamoylcarbamoyl)-2-ethylbutanoate;hydrochloride . | CCC(CC)(C(=O)NC(N)=O)C(=O)OCCN(C)C;Cl |
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What is the SMILES representation of the molecule with IUPAC name 16-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one ? | COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(OC4CCC5(C)C6=CCC78C(=O)OC(C)(CCCC(C)C)C7CCC8(C)C6CCC5C4(C)C)C(OC4OC(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C(O)C4O)C3O)C2O)C1O |
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For the molecule with 3-chloro-2-methyl-5-methylsulfanyl-1,2,4,6-thiatriazine 1,1-dioxide as the IUPAC name, what is the corresponding SMILES representation? | CSC1=NS(=O)(=O)N(C)C(Cl)=N1 |
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Please identify the SMILES representation of the molecule named diethyl-[5-(4-methylphenyl)sulfanylbenzo[a]phenoxazin-9-ylidene]azanium;nitrate . | CC[N+](CC)=C1C=CC2=NC3=C(C=C(SC4=CC=C(C)C=C4)C4=CC=CC=C43)OC2=C1;O=[N+]([O-])[O-] |
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(3R,4S,6R,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol is the IUPAC name of a molecule. Please give its SMILES representation. | CCC1CCC2(CC(O)C(CO)CO2)OC1 |
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tetralithium;6-amino-4-hydroxy-3-[[7-sulfonato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonate is the IUPAC name of a molecule. Please give its SMILES representation. | NC1=CC2=C(O)C(N=NC3=CC=C(N=NC4=CC=C(S(=O)(=O)[O-])C=C4)C4=CC=C(S(=O)(=O)[O-])C=C34)=C(S(=O)(=O)[O-])C=C2C=C1S(=O)(=O)[O-];[Li+];[Li+];[Li+];[Li+] |
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Please write the SMILES representation of the molecule barium(2+);oxygen(2-);titanium(4+) . | [Ba+2];[O-2];[O-2];[O-2];[Ti+4] |
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9,10,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.027,31.016,35]heptatriaconta-3(37),4,6(36),8(35),9,11,18,20,24,26,31,33-dodecaen-32-ol The above is the IUPAC name of a molecule. Write its SMILES notation. | COC1=CC2=C3C(O)=C1OCC1=CC=C(C=C1)CC1C4=C(C=C(OC)C(OC)=C4OC4=CC=C(C=C4)CC3N(C)CC2)CCN1C |
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What is the SMILES representation of the molecule with IUPAC name (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid ? | CC1(C)SSC(C)(C)C(NC(=O)C(N)CC2=CC=C(O)C=C2)C(=O)NCC(=O)NC(CC2=CC=C(Cl)C=C2)C(=O)NC1C(=O)O |
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Can you give the SMILES notation of the molecule ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;terephthalic acid ? | O=C(O)C1=CC=C(C(=O)O)C=C1;OCCO;OCCOCCO;OCCOCCOCCO |
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N'-[4-(aziridin-1-yl)butyl]propane-1,3-diamine The above is the IUPAC name of a molecule. Write its SMILES notation. | NCCCNCCCCN1CC1 |
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The IUPAC name of a certain molecule is manganese(2+);octanoate . Can you provide its SMILES representation? | CCCCCCCC(=O)[O-];CCCCCCCC(=O)[O-];[Mn+2] |
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Can you tell me the SMILES representation for the molecule (2S)-2,6-diaminohexanoic acid;5-(dithiolan-3-yl)pentanoic acid ? | NCCCCC(N)C(=O)O;O=C(O)CCCCC1CCSS1 |
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Could you provide the SMILES for 2,2-dibromoethenylbenzene ? | BrC(Br)=CC1=CC=CC=C1 |
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2-[1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-amino-2-methyloxan-3-yl]oxy-3-hydroxybutoxy]propanoic acid is the IUPAC name of a molecule. Please give its SMILES representation. | COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)=O)CC3OC3CC(N)C(OC(CC(C)O)OC(C)C(=O)O)C(C)O3)C(O)=C1C2=O |
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Please write the SMILES representation of the molecule cadmium(2+);3-methylbenzoate . | CC1=CC=CC(C(=O)[O-])=C1;CC1=CC=CC(C(=O)[O-])=C1;[Cd+2] |
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The IUPAC name of a certain molecule is (7S,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-7,13-dimethylspiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one . Can you provide its SMILES representation? | CC1CC2=CC(=O)CCC2=C2C(C3=CC=C(N(C)C)C=C3)CC3(C)C(CCC34CCCO4)C21 |
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Please write the SMILES representation of the molecule manganese(2+);dibenzoate . | O=C([O-])C1=CC=CC=C1;O=C([O-])C1=CC=CC=C1;[Mn+2] |
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Convert the IUPAC name of a molecule silver;docosanoate into SMILES representation. | CCCCCCCCCCCCCCCCCCCCCC(=O)[O-];[Ag+] |
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What is the SMILES representation for dipyridin-3-yldiazene ? | C1=CN=CC(N=NC2=CC=CN=C2)=C1 |
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Convert the IUPAC name of a molecule (2R)-2-(pentan-2-ylamino)-3-sulfanylpropanoic acid into SMILES representation. | CCCC(C)NC(CS)C(=O)O |
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What is the SMILES representation of the molecule with IUPAC name [4-[[4-(dimethylamino)phenyl]-[4-[methyl-[(3-sulfophenyl)methyl]amino]phenyl]methylidene]-2-sulfocyclohexa-2,5-dien-1-ylidene]-dimethylazanium ? | CN(C)C1=CC=C(C(=C2C=CC(=[N+](C)C)C(S(=O)(=O)O)=C2)C2=CC=C(N(C)CC3=CC=CC(S(=O)(=O)O)=C3)C=C2)C=C1 |
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Can you tell me the SMILES representation for the molecule dioxido(oxo)silane;iron(2+) ? | O=[Si]([O-])[O-];[Fe+2] |
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neodymium(3+);trisulfide The above is the IUPAC name of a molecule. Write its SMILES notation. | [Nd+3];[Nd+3];[S-2];[S-2];[S-2] |
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Can you give the SMILES notation of the molecule 3-[4-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]phenoxy]-2-[(prop-2-enoylamino)methyl]benzenesulfonic acid ? | C=CC(=O)NCC1=C(OC2=CC=C(NC3=CC=C(NC(C)C)C4=C3C(=O)C3=CC=CC=C3C4=O)C=C2)C=CC=C1S(=O)(=O)O |
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What is the SMILES notation for 2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol ? | CCCCCCCCCCOCCOCCOCCOCCOCCO |
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What is the SMILES representation for (1S,2R,4S,5R,8R,13R,14R,17S,18R,20S)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde ? | CC1(C=O)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1 |
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What is the SMILES notation for furan-2,5-dione;propane-1,2-diol ? | CC(O)CO;O=C1C=CC(=O)O1 |
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butyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide The above is the IUPAC name of a molecule. Write its SMILES notation. | C=C(C)C(=O)OC;C=C(C)C(N)=O;C=CC(=O)OCCCC |
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What is the SMILES representation of the molecule with IUPAC name N-[bis(dimethylamino)phosphoryl]-2-methoxyethanamine ? | COCCNP(=O)(N(C)C)N(C)C |
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plutonium-234 is the IUPAC name of a molecule. Please give its SMILES representation. | [Pu] |
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What is the SMILES notation for 4-[4-[2-[4-(3,4-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic acid ? | CC(C)(C1=CC=C(OC2=CC=C(C(=O)O)C(C(=O)O)=C2)C=C1)C1=CC=C(OC2=CC=C(C(=O)O)C(C(=O)O)=C2)C=C1 |
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benzene-1,3-dicarboxylic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol The above is the IUPAC name of a molecule. Write its SMILES notation. | CCC(CO)(CO)CO;O=C(O)C1=CC=CC(C(=O)O)=C1;O=C(O)CCCCC(=O)O;OCCCCCCO |
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Can you tell me the SMILES representation for the molecule N'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;4-nonylphenol ? | C=O;CCCCCCCCCC1=CC=C(O)C=C1;NCCNCCN |
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What is the SMILES representation for sodium;1-[[5-chloro-4-(methylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate;cobalt ? | CNS(=O)(=O)C1=CC([O-])=C(N=NC2=C([O-])C=CC3=CC=CC=C23)C=C1Cl;CNS(=O)(=O)C1=CC([O-])=C(N=NC2=C([O-])C=CC3=CC=CC=C23)C=C1Cl;[Co];[Na+] |
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benzene-1,3-dicarboxylic acid;cyclohexanamine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexane-1,6-diamine;hexanedioic acid is the IUPAC name of a molecule. Please give its SMILES representation. | CCC(CO)(CO)CO;NC1CCCCC1;NCCCCCCN;O=C(O)C1=CC=CC(C(=O)O)=C1;O=C(O)CCCCC(=O)O |
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Please identify the SMILES representation of the molecule named 1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-ol . | COC1=CC2=C(C=C1OC)C(O)C1C3=C(C=C(OC)C(OC)=C23)CCN1C |
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Can you give the SMILES notation of the molecule antimony(3+);5-(hydroxymethyl)pyrimidine-2,4-diolate;hydroxide ? | [O-]C1=NC=C(CO)C([O-])=N1;[OH-];[Sb+3] |
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The IUPAC name of a certain molecule is calcium;6-methylheptanoate . Can you provide its SMILES representation? | CC(C)CCCCC(=O)[O-];CC(C)CCCCC(=O)[O-];[Ca+2] |
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Convert the IUPAC name of a molecule tetrasodium;5-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-3-[(2,5-disulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate into SMILES representation. | O=C(NC1=CC(S(=O)(=O)[O-])=CC2=CC(S(=O)(=O)[O-])=C(N=NC3=CC(S(=O)(=O)[O-])=CC=C3S(=O)(=O)[O-])C(O)=C12)C1=CC=CC(NC2=NC(F)=NC(F)=C2Cl)=C1;[Na+];[Na+];[Na+];[Na+] |
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What is the SMILES representation of the molecule with IUPAC name 4-tert-butyl-1-(4-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane ? | CC(C)(C)C12COC(C3=CC=C(F)C=C3)(OC1)OC2 |
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1-(2-bicyclo[2.2.1]heptanyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane The above is the IUPAC name of a molecule. Write its SMILES notation. | CCCC12COC(C3CC4CCC3C4)(OC1)OC2 |
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Convert the IUPAC name of a molecule disodium;formaldehyde;4-hydroxy-4-oxo-2-sulfobutanoate;4-nonylphenol;oxirane;benzoate into SMILES representation. | C1CO1;C=O;CCCCCCCCCC1=CC=C(O)C=C1;O=C(O)CC(C(=O)[O-])S(=O)(=O)O;O=C([O-])C1=CC=CC=C1;[Na+];[Na+] |
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Please identify the SMILES representation of the molecule named sodium;2-methyl-4,6-dinitrobenzenesulfonate . | CC1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1S(=O)(=O)[O-];[Na+] |
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What is the SMILES representation for 1-nitrobut-1-ene ? | CCC=C[N+](=O)[O-] |
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Convert the IUPAC name of a molecule 4,10,16-trimethyl-3,9,15-tris(2-methylpropyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone into SMILES representation. | CC(C)CC1C(=O)OC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC(C(C)C)C(=O)N1C |
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For the molecule with 2-propan-2-ylnaphthalene-1,4-dione as the IUPAC name, what is the corresponding SMILES representation? | CC(C)C1=CC(=O)C2=CC=CC=C2C1=O |
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For the molecule with (5aS,6R,7R,9aS)-6-[2-[(4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-one as the IUPAC name, what is the corresponding SMILES representation? | CC1=C(CCC2C(C)CCC3OC(C)(C)C(=O)CCC32C)C2(C)CCC(O)C(C)(C)C2CC1=O |
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Can you tell me the SMILES representation for the molecule [(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] hexadecanoate ? | CCCCCCCCCCCCCCCC(=O)OC(CNC(C)(C)C)COC1=NSN=C1N1CCOCC1 |
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Please identify the SMILES representation of the molecule named N-benzyl-3,5,7-trimethylimidazo[4,5-f]quinoxalin-2-amine . | CC1=CN=C2C(=N1)C(C)=CC1=C2N=C(NCC2=CC=CC=C2)N1C |
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What is the SMILES notation for methoxy-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane ? | COP(=S)(N1CCOCC1)N1CCOCC1 |
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Please identify the SMILES representation of the molecule named 2-(2,4-dichloro-5-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one . | O=C1C2CCCCC2NN1C1=CC(O)=C(Cl)C=C1Cl |
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4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]butanoic acid The above is the IUPAC name of a molecule. Write its SMILES notation. | CCNC1=NC(Cl)=NC(NCCCC(=O)O)=N1 |
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Convert the IUPAC name of a molecule (2-methoxy-4-prop-2-enylphenyl) hydrogen sulfate into SMILES representation. | C=CCC1=CC=C(OS(=O)(=O)O)C(OC)=C1 |
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Can you give the SMILES notation of the molecule 1,2,3-tris(trifluoromethyl)benzene ? | FC(F)(F)C1=CC=CC(C(F)(F)F)=C1C(F)(F)F |
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For the molecule with ethyl 1-formyl-4-phenylpiperidine-4-carboxylate as the IUPAC name, what is the corresponding SMILES representation? | CCOC(=O)C1(C2=CC=CC=C2)CCN(C=O)CC1 |
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Please write the SMILES representation of the molecule 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid;ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate . | CCOC(=O)C(C)OC1=CC=C(OC2=NC3=CC=C(Cl)C=C3O2)C=C1;O=C(O)C1=NN(C2=CC=C(Cl)C=C2Cl)C(C(Cl)(Cl)Cl)=N1 |
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For the molecule with 4-(benzo[g]quinolin-4-ylamino)-N,N-diethylbenzamide as the IUPAC name, what is the corresponding SMILES representation? | CCN(CC)C(=O)C1=CC=C(NC2=CC=NC3=CC4=CC=CC=C4C=C23)C=C1 |
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What is the SMILES representation of the molecule with IUPAC name 1,1,1-trifluoro-3-nonan-2-ylsulfanylpropan-2-one ? | CCCCCCCC(C)SCC(=O)C(F)(F)F |
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For the molecule with 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-6-methoxypyridazine as the IUPAC name, what is the corresponding SMILES representation? | COC1=CC(C(C)(C)CCl)=C(Cl)N=N1 |
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Could you provide the SMILES for 1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanol ? | COC1=CC2=C(C=CC(C)(C)O2)C=C1C(C)O |
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4-[[1-(4-ethoxyphenyl)cyclopropyl]methoxymethyl]-1-fluoro-2-phenoxybenzene is the IUPAC name of a molecule. Please give its SMILES representation. | CCOC1=CC=C(C2(COCC3=CC=C(F)C(OC4=CC=CC=C4)=C3)CC2)C=C1 |
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What is the SMILES representation for [(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 2-methylbutanoate ? | C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(OC(=O)C(C)CC)C12 |
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Can you tell me the SMILES representation for the molecule 2,4-dibromo-1-phenylbenzene ? | BrC1=CC=C(C2=CC=CC=C2)C(Br)=C1 |
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Convert the IUPAC name of a molecule dioctyltin;2-sulfanylpropanoic acid into SMILES representation. | CC(S)C(=O)O;CC(S)C(=O)O;CCCCCCCC[Sn]CCCCCCCC |
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4-chloro-2,8-difluorophenoxathiine is the IUPAC name of a molecule. Please give its SMILES representation. | FC1=CC=C2OC3=C(Cl)C=C(F)C=C3SC2=C1 |
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(9-oxo-8-tetradecanoyloxy-10H-anthracen-1-yl) tetradecanoate The above is the IUPAC name of a molecule. Write its SMILES notation. | CCCCCCCCCCCCCC(=O)OC1=CC=CC2=C1C(=O)C1=C(C=CC=C1OC(=O)CCCCCCCCCCCCC)C2 |
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The IUPAC name of a certain molecule is (4R)-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene . Can you provide its SMILES representation? | C1=CC=C2C(=C1)C1=CC3=CC=CC=C3C=C1C1OC21 |
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What is the SMILES representation of the molecule with IUPAC name naphthalen-1-yl N-hexylcarbamate ? | CCCCCCNC(=O)OC1=CC=CC2=CC=CC=C12 |
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Please write the SMILES representation of the molecule ethyl (2S)-5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoate . | CCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)OCC |
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Could you provide the SMILES for 2-(hydroxymethyl)-6-[[2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol ? | OCC1OC(OC2OC=CC3CC4OC4(CO)C32)C(O)C(O)C1O |
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Please identify the SMILES representation of the molecule named (4-tert-butylphenyl)-(3-nitrophenyl)methanone . | CC(C)(C)C1=CC=C(C(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1 |
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Can you give the SMILES notation of the molecule 1,2-dinitroacridine ? | O=[N+]([O-])C1=CC=C2N=C3C=CC=CC3=CC2=C1[N+](=O)[O-] |
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Please write the SMILES representation of the molecule 1-ethyl-4-methyl-9H-carbazole . | CCC1=CC=C(C)C2=C1NC1=CC=CC=C12 |
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Please identify the SMILES representation of the molecule named (4-bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid . | CCCSP(=O)(O)OC1=CC=C(Br)C=C1Cl |
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Could you provide the SMILES for 4-methylsulfonyl-N-(4-methylsulfonylbutyl)butan-1-amine ? | CS(=O)(=O)CCCCNCCCCS(C)(=O)=O |
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For the molecule with 2-[4-(hydroxymethyl)phenoxy]ethyl N-(4-chlorophenyl)carbamate as the IUPAC name, what is the corresponding SMILES representation? | O=C(NC1=CC=C(Cl)C=C1)OCCOC1=CC=C(CO)C=C1 |
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Can you tell me the SMILES representation for the molecule 4-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]diazenyl]benzoic acid ? | CC12CCC3C4=CC(N=NC5=CC=C(C(=O)O)C=C5)=C(O)C=C4CCC3C1CC(O)C2O |
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What is the SMILES representation for butanedioic acid;3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidine ? | CC1NC(C2CC2)CC1C1=CC=C(Cl)C=C1;CC1NC(C2CC2)CC1C1=CC=C(Cl)C=C1;O=C(O)CCC(=O)O |
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What is the SMILES representation for (2R,3S,4R)-5-hydroxyiminopentane-1,2,3,4-tetrol ? | OCC(O)C(O)C(O)C=NO |
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What is the SMILES representation for N-[2-[5-acetamido-4-hydroxy-6-[[4-hydroxy-6-(hydroxymethyl)-2-(methylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl]oxy]-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(methoxymethyl)oxan-3-yl]acetamide ? | CNC1=NC2C(O)C(OC3OC(CO)C(OC4OC(COC)C(O)C(O)C4NC(C)=O)C(O)C3NC(C)=O)C(CO)C2O1 |
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For the molecule with (2S,3S,4R,5R,6S)-6-[[(6aR,6bS,8aS,12aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid as the IUPAC name, what is the corresponding SMILES representation? | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
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What is the SMILES representation of the molecule with IUPAC name (5S,8R,9S,10S,13S,14S)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one ? | C#CC1(O)CCC2C3CCC4CC(=O)CCC4(C)C3CCC21C |
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What is the SMILES representation for benzene;chromium;iodide ? | C1=CC=CC=C1;C1=CC=CC=C1;[Cr];[I-] |
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The IUPAC name of a certain molecule is (2S,6R,14R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol . Can you provide its SMILES representation? | COC12CCC3(CC1C(C)(C)O)C1CC4=CC=C(O)C5=C4C3(CCN1CC1CC1)C2O5 |
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Could you provide the SMILES for 1-nitroso-1-octylurea ? | CCCCCCCCN(N=O)C(N)=O |
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N-cyclohexylcyclohexanamine;3-nitrobenzoic acid The above is the IUPAC name of a molecule. Write its SMILES notation. | C1CCC(NC2CCCCC2)CC1;O=C(O)C1=CC=CC([N+](=O)[O-])=C1 |
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Could you provide the SMILES for 2-[[[(3R,5R)-3-amino-6-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-hydroxyhexanoyl]amino]-methylamino]acetic acid ? | CC(C)CC(N)C(=O)NCC(O)CC(N)CC(=O)NN(C)CC(=O)O |
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What is the SMILES representation of the molecule with IUPAC name 1-benzyl-1-methylhydrazine;phosphoric acid ? | CN(N)CC1=CC=CC=C1;O=P(O)(O)O |
Subsets and Splits