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What is the SMILES representation for 2-bromo-1-chloro-4-methylbenzene ? | CC1=CC=C(Cl)C(Br)=C1 |
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The IUPAC name of a certain molecule is (1-ethylpiperidin-4-yl) 3-methyl-2-phenylpentanoate . Can you provide its SMILES representation? | CCC(C)C(C(=O)OC1CCN(CC)CC1)C1=CC=CC=C1 |
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N-carbamoyl-2-(4-methylphenyl)sulfonylacetamide The above is the IUPAC name of a molecule. Write its SMILES notation. | CC1=CC=C(S(=O)(=O)CC(=O)NC(N)=O)C=C1 |
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Please write the SMILES representation of the molecule 2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-methylsulfanylbutanoic acid . | CSCCC(NC(=O)NS(=O)(=O)C1=CC=C(C)C=C1)C(=O)O |
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Convert the IUPAC name of a molecule 1,7-dibenzylpurin-6-imine into SMILES representation. | N=C1C2=C(N=CN1CC1=CC=CC=C1)N=CN2CC1=CC=CC=C1 |
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Can you tell me the SMILES representation for the molecule 1-(4-dodecoxyphenyl)sulfanyl-4-nitrobenzene ? | CCCCCCCCCCCCOC1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1 |
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What is the SMILES representation for 3-(6-benzylidene-1,2,3,4,5,7,8,8a-octahydronaphthalen-4a-yl)-2-methylpropanenitrile ? | CC(C#N)CC12CCCCC1CCC(=CC1=CC=CC=C1)C2 |
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What is the SMILES representation of the molecule with IUPAC name 3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one ? | COC1=CC2=C(C=C1OC)C(=O)CC1=CC=C(OC)C(OC)=C1CN(C)CC2 |
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What is the SMILES notation for 5,6-dinitro-2,1,3-benzothiadiazole ? | O=[N+]([O-])C1=CC2=NSN=C2C=C1[N+](=O)[O-] |
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The IUPAC name of a certain molecule is tricyclo[6.2.1.02,7]undec-2(7)-en-4-ol . Can you provide its SMILES representation? | OC1CCC2=C(C1)C1CCC2C1 |
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Please write the SMILES representation of the molecule bis(4-methylphenyl)-(1-methyl-3-phenylaziridin-2-yl)methanol . | CC1=CC=C(C(O)(C2=CC=C(C)C=C2)C2C(C3=CC=CC=C3)N2C)C=C1 |
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For the molecule with 2-[(4-aminophenanthridin-6-yl)amino]ethanol as the IUPAC name, what is the corresponding SMILES representation? | NC1=CC=CC2=C1N=C(NCCO)C1=CC=CC=C12 |
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Please write the SMILES representation of the molecule [2-[(1S,2S,4R,8S,9S,11S,12R,13S)-16-(2-chloroethoxy)-12-fluoro-19-formyl-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-dien-8-yl]-2-oxoethyl] acetate . | CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CC(C=O)=C4C=C(OCCCl)CCC4(C)C3(F)C(O)CC12C |
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Please identify the SMILES representation of the molecule named 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione . | O=C1C=CNC(=O)N1C1OC(CO)C(O)C1O |
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What is the SMILES representation for 2-phenyl-1,3-dioxane-5,5-diol ? | OC1(O)COC(C2=CC=CC=C2)OC1 |
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Convert the IUPAC name of a molecule 2-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,4-d][1,3]thiazol-4-one into SMILES representation. | O=C1OCC2SC(C3=CC=CC=C3)NC12 |
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N-(4-cyclohexylbutyl)-2,4-dihydroxy-3,3-dimethylbutanamide The above is the IUPAC name of a molecule. Write its SMILES notation. | CC(C)(CO)C(O)C(=O)NCCCCC1CCCCC1 |
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What is the SMILES representation of the molecule with IUPAC name phenanthridine-6-carbaldehyde ? | O=CC1=NC2=CC=CC=C2C2=CC=CC=C12 |
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Can you tell me the SMILES representation for the molecule 1-(4-methoxyanilino)-3-piperidin-1-ylpropan-2-ol ? | COC1=CC=C(NCC(O)CN2CCCCC2)C=C1 |
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Can you tell me the SMILES representation for the molecule 2,4-diphenyl-5,6-dihydrofuro[2,3-d]pyrimidine ? | C1=CC=C(C2=NC3=C(CCO3)C(C3=CC=CC=C3)=N2)C=C1 |
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Can you tell me the SMILES representation for the molecule 2-anilino-2-(4-chlorophenyl)propanenitrile ? | CC(C#N)(NC1=CC=CC=C1)C1=CC=C(Cl)C=C1 |
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What is the SMILES notation for 2-bromo-1,3,5-triphenylbenzene ? | BrC1=C(C2=CC=CC=C2)C=C(C2=CC=CC=C2)C=C1C1=CC=CC=C1 |
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What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one ? | O=C(C=CC1=CC=C([N+](=O)[O-])C=C1)C1=CC=C(Cl)C=C1 |
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3-chloro-5-(4-chlorophenyl)pyrazine-2-carbonitrile is the IUPAC name of a molecule. Please give its SMILES representation. | N#CC1=NC=C(C2=CC=C(Cl)C=C2)N=C1Cl |
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Can you tell me the SMILES representation for the molecule N-piperidin-1-yl-4,5-dihydro-1,3-oxazol-2-amine ? | C1CCN(NC2=NCCO2)CC1 |
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The IUPAC name of a certain molecule is 4,4,4-trifluoro-1-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)butan-1-one . Can you provide its SMILES representation? | O=C(CC(O)(C(F)(F)F)C(F)(F)F)C1=CC=C(F)C=C1 |
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For the molecule with 6-tert-butyl-4,4-bis(trifluoromethyl)-1,3,2-dioxathiane 2-oxide as the IUPAC name, what is the corresponding SMILES representation? | CC(C)(C)C1CC(C(F)(F)F)(C(F)(F)F)OS(=O)O1 |
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Convert the IUPAC name of a molecule 2,2,2-trifluoro-1-[11-(2,2,2-trifluoroacetyl)-7,14,15-trithia-3,11-diazadispiro[5.1.58.26]pentadecan-3-yl]ethanone into SMILES representation. | O=C(N1CCC2(CC1)SSC1(CCN(C(=O)C(F)(F)F)CC1)S2)C(F)(F)F |
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Please identify the SMILES representation of the molecule named 1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)urea . | COC1=CC=C(NC(=O)NC2=CC=C(C)C=C2C)C=C1 |
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Could you provide the SMILES for 1-N,4-N-diphenyl-1-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide ? | CC(C)N(C(=O)C1=CC=C(C(=O)N(C2=CC=CC=C2)C(C)C)C=C1)C1=CC=CC=C1 |
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What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-phenylurea ? | COC1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC=C1 |
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Please write the SMILES representation of the molecule 4-chloro-N-(3-chloro-4-methylphenyl)benzenesulfonamide . | CC1=CC=C(NS(=O)(=O)C2=CC=C(Cl)C=C2)C=C1Cl |
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The IUPAC name of a certain molecule is N-(2-cyanoethyl)-N-cyclohexyl-2-(2,4-dichlorophenoxy)acetamide . Can you provide its SMILES representation? | N#CCCN(C(=O)COC1=CC=C(Cl)C=C1Cl)C1CCCCC1 |
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Please write the SMILES representation of the molecule N-[chloromethyl(ethoxy)phosphoryl]adamantan-1-amine . | CCOP(=O)(CCl)NC12CC3CC(CC(C3)C1)C2 |
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Convert the IUPAC name of a molecule 1-hexyl-6-hydroxy-5-methanimidoylpyrimidine-2,4-dione into SMILES representation. | CCCCCCN1C(O)=C(C=N)C(=O)NC1=O |
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For the molecule with 6-chloro-9-thiabicyclo[3.3.1]non-2-ene as the IUPAC name, what is the corresponding SMILES representation? | ClC1CCC2C=CCC1S2 |
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What is the SMILES notation for 2-hydroxy-N,N-dimethyl-2,2-diphenylethanesulfonamide ? | CN(C)S(=O)(=O)CC(O)(C1=CC=CC=C1)C1=CC=CC=C1 |
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For the molecule with 1-[2-[1-(4-ethoxynaphthalen-1-yl)ethyl]phenyl]ethanone as the IUPAC name, what is the corresponding SMILES representation? | CCOC1=CC=C(C(C)C2=CC=CC=C2C(C)=O)C2=CC=CC=C12 |
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Please write the SMILES representation of the molecule 9-chloro-3-phenyl-2,3-dihydro-1H-chromeno[3,4-b][1,4]oxazin-5-one . | O=C1OC2=CC=C(Cl)C=C2C2=C1OC(C1=CC=CC=C1)CN2 |
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Can you tell me the SMILES representation for the molecule dibromo(triphenyl)bismuth ? | Br[Bi](Br)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
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Could you provide the SMILES for N,N-dimethyl-N'-(4-methylpiperazin-1-yl)methanimidamide ? | CN(C)C=NN1CCN(C)CC1 |
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Could you provide the SMILES for 2-(2-methylbut-3-yn-2-yloxymethyl)oxirane ? | C#CC(C)(C)OCC1CO1 |
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Convert the IUPAC name of a molecule 2-bromo-4,6-dimethylphenol into SMILES representation. | CC1=CC(C)=C(O)C(Br)=C1 |
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Can you give the SMILES notation of the molecule N-hydroxy-2-(3,4,5-trimethoxyphenyl)acetamide ? | COC1=CC(CC(=O)NO)=CC(OC)=C1OC |
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Can you tell me the SMILES representation for the molecule N-(1,3-dioxoisoindol-2-yl)benzenesulfinamide ? | O=C1C2=CC=CC=C2C(=O)N1NS(=O)C1=CC=CC=C1 |
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Could you provide the SMILES for 13-oxatetracyclo[8.5.2.03,8.011,15]heptadeca-3(8),16-diene-12,14-dione ? | O=C1OC(=O)C2C3C=CC(CC4=C(CCCC4)C3)C12 |
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Please write the SMILES representation of the molecule N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide . | CC(C)(C)C1=CC=C(C=[N+]([O-])C(C)(C)C)C(C(C)(C)C)=C1O |
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ethyl 2-oxo-3-(2,5,6-triaminopyrimidin-4-yl)sulfanylpropanoate The above is the IUPAC name of a molecule. Write its SMILES notation. | CCOC(=O)C(=O)CSC1=NC(N)=NC(N)=C1N |
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What is the SMILES representation of the molecule with IUPAC name 2,3-dimethoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione ? | COC1=CC2=C(C=C1OC)C(=O)N1C=CC=C1C(=O)N2 |
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Can you give the SMILES notation of the molecule N-[1-(dimethylamino)propan-2-ylidene]hydroxylamine ? | CC(CN(C)C)=NO |
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For the molecule with 1-[(4-methylphenyl)methyl]pyrrole-2,5-dione as the IUPAC name, what is the corresponding SMILES representation? | CC1=CC=C(CN2C(=O)C=CC2=O)C=C1 |
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Please identify the SMILES representation of the molecule named propan-2-yl N-(3-fluoro-2-methylphenyl)carbamate . | CC1=C(F)C=CC=C1NC(=O)OC(C)C |
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What is the SMILES representation of the molecule with IUPAC name [2-(2,4-dichlorophenoxy)acetyl] 2-(2,4-dichlorophenoxy)acetate ? | O=C(COC1=CC=C(Cl)C=C1Cl)OC(=O)COC1=CC=C(Cl)C=C1Cl |
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What is the SMILES representation of the molecule with IUPAC name 4-methoxy-5-methyl-3,6-dihydrofuro[3,4-g][1]benzofuran-2,8-dione ? | COC1=C(C)C2=C(C(=O)OC2)C2=C1CC(=O)O2 |
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Please write the SMILES representation of the molecule 1-(azepan-1-yl)tridecan-1-one . | CCCCCCCCCCCCC(=O)N1CCCCCC1 |
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What is the SMILES representation for 1,1-dibromo-1-(1-bromo-3,3-dimethyl-2-oxobutyl)sulfonyl-3,3-dimethylbutan-2-one ? | CC(C)(C)C(=O)C(Br)S(=O)(=O)C(Br)(Br)C(=O)C(C)(C)C |
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For the molecule with 1-(3-benzyl-2-methylimidazol-4-yl)-2-methyl-1-phenylpropan-1-ol as the IUPAC name, what is the corresponding SMILES representation? | CC1=NC=C(C(O)(C2=CC=CC=C2)C(C)C)N1CC1=CC=CC=C1 |
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Please identify the SMILES representation of the molecule named 5-chloro-2-(methylcarbamoylamino)benzoic acid . | CNC(=O)NC1=CC=C(Cl)C=C1C(=O)O |
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Please write the SMILES representation of the molecule 2-(cyclohexylamino)-3a,4,5,6,6a,7,8,9,9a,9b-decahydrobenzo[de]isoquinoline-1,3-dione . | O=C1C2CCCC3CCCC(C(=O)N1NC1CCCCC1)C32 |
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Can you give the SMILES notation of the molecule 2,4-dichloro-N-(2,4,6-trimethylphenyl)benzamide ? | CC1=CC(C)=C(NC(=O)C2=CC=C(Cl)C=C2Cl)C(C)=C1 |
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Could you provide the SMILES for 2,2-dimethyl-N-(2,4,6-trimethylphenyl)propanamide ? | CC1=CC(C)=C(NC(=O)C(C)(C)C)C(C)=C1 |
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Can you give the SMILES notation of the molecule 2-chloro-N-(2,5-dimethoxyphenyl)benzamide ? | COC1=CC=C(OC)C(NC(=O)C2=CC=CC=C2Cl)=C1 |
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Please write the SMILES representation of the molecule [4-[[4-methyl-3-[[4-(2-phenylacetyl)oxyphenoxy]carbonylamino]phenyl]carbamoyloxy]phenyl] 2-phenylacetate . | CC1=CC=C(NC(=O)OC2=CC=C(OC(=O)CC3=CC=CC=C3)C=C2)C=C1NC(=O)OC1=CC=C(OC(=O)CC2=CC=CC=C2)C=C1 |
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For the molecule with 3-[1-(3,4-dichloroanilino)ethylidene]oxolan-2-one as the IUPAC name, what is the corresponding SMILES representation? | CC(NC1=CC=C(Cl)C(Cl)=C1)=C1CCOC1=O |
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Can you tell me the SMILES representation for the molecule 5-(2-phenylethyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione ? | O=C1NC(C(F)(F)F)=C(CCC2=CC=CC=C2)C(=O)N1 |
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Convert the IUPAC name of a molecule 1-but-3-enyl-5-methylpyrimidine-2,4-dione into SMILES representation. | C=CCCN1C=C(C)C(=O)NC1=O |
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Can you tell me the SMILES representation for the molecule N-(4,6-diaminopyrimidin-5-yl)-4-(methoxymethyl)benzamide ? | COCC1=CC=C(C(=O)NC2=C(N)N=CN=C2N)C=C1 |
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(2,4-dichloro-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate is the IUPAC name of a molecule. Please give its SMILES representation. | CC1=CC(Cl)=CC=C1NC(=O)OC1=CC(C)=C(Cl)C(C)=C1Cl |
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For the molecule with 1-(2-methoxy-4-nitrophenyl)-3-(4-methylpyridin-2-yl)urea as the IUPAC name, what is the corresponding SMILES representation? | COC1=CC([N+](=O)[O-])=CC=C1NC(=O)NC1=CC(C)=CC=N1 |
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Please identify the SMILES representation of the molecule named (4-acetamidophenyl) N-(2-methoxy-4-nitrophenyl)carbamate . | COC1=CC([N+](=O)[O-])=CC=C1NC(=O)OC1=CC=C(NC(C)=O)C=C1 |
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For the molecule with (4-chloro-2-methylphenyl) N-(2,3-dichlorophenyl)carbamate as the IUPAC name, what is the corresponding SMILES representation? | CC1=CC(Cl)=CC=C1OC(=O)NC1=CC=CC(Cl)=C1Cl |
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What is the SMILES notation for 1-butyl-3-(2,4,5-trimethylphenyl)imidazolidine-2,4,5-trione ? | CCCCN1C(=O)C(=O)N(C2=CC(C)=C(C)C=C2C)C1=O |
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Can you tell me the SMILES representation for the molecule N-[2-[2-[(4-acetamidophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide ? | CC(=O)NC1=CC=C(C=NNC(=O)CNC(=O)C2=CC=CC=C2)C=C1 |
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Can you give the SMILES notation of the molecule butyl 6-oxo-1H-pyrimidine-5-carboxylate ? | CCCCOC(=O)C1=CN=CNC1=O |
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What is the SMILES representation for 3-methyl-4,5,6,7-tetrahydro-2H-indazole ? | CC1=C2CCCCC2=NN1 |
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What is the SMILES representation for 2-(1-hydroxy-2-oxo-1,2-diphenylethyl)-5-methylcyclohexan-1-one ? | CC1CCC(C(O)(C(=O)C2=CC=CC=C2)C2=CC=CC=C2)C(=O)C1 |
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What is the SMILES representation for 4-benzoyl-3-hydroxy-1,3,5-triphenylspiro[5.5]undecan-11-one ? | O=C(C1=CC=CC=C1)C1C(C2=CC=CC=C2)C2(CCCCC2=O)C(C2=CC=CC=C2)CC1(O)C1=CC=CC=C1 |
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bis[(4-methylphenyl)sulfanyl]methanethione is the IUPAC name of a molecule. Please give its SMILES representation. | CC1=CC=C(SC(=S)SC2=CC=C(C)C=C2)C=C1 |
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For the molecule with 10-oxo-9H-anthracene-1-carboxylic acid as the IUPAC name, what is the corresponding SMILES representation? | O=C(O)C1=CC=CC2=C1CC1=CC=CC=C1C2=O |
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Please identify the SMILES representation of the molecule named 6,33-dibromo-12,15,18,21,24,27-hexaoxapentacyclo[26.8.0.02,11.03,8.031,36]hexatriaconta-1(28),2(11),3(8),4,6,9,29,31(36),32,34-decaene . | BrC1=CC=C2C3=C(C=CC2=C1)OCCOCCOCCOCCOCCOC1=CC=C2C=C(Br)C=CC2=C13 |
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Could you provide the SMILES for N,N'-bis(4-ethylacridin-9-yl)butane-1,4-diamine ? | CCC1=CC=CC2=C(NCCCCNC3=C4C=CC=C(CC)C4=NC4=CC=CC=C34)C3=CC=CC=C3N=C12 |
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What is the SMILES notation for cyclopentyl 4-methylbenzenesulfonate ? | CC1=CC=C(S(=O)(=O)OC2CCCC2)C=C1 |
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5-(5,7-dihydroxy-9,13,16-trimethyl-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-8-yl)pyran-2-one The above is the IUPAC name of a molecule. Write its SMILES notation. | CC12OC3CC(O1)C1(C)C4CCC5(C)C(C6=COC(=O)C=C6)C(O)CC5(O)C4CCC1(C3)O2 |
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For the molecule with 5-methoxy-12-methyl-12,13,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,8,10,15-heptaen-14-one as the IUPAC name, what is the corresponding SMILES representation? | COC1=CC=C2C(=C1)C=CC1=C2N=CC2=C1N(C)NC2=O |
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Could you provide the SMILES for 4-decyl-1,4-thiazinane 1,1-dioxide ? | CCCCCCCCCCN1CCS(=O)(=O)CC1 |
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Please identify the SMILES representation of the molecule named 4-(4-aminophenyl)-1-bromoisoquinolin-3-amine . | NC1=CC=C(C2=C(N)N=C(Br)C3=CC=CC=C23)C=C1 |
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What is the SMILES representation for N,N-bis(2-chloroethyl)-3-methoxy-4-phenyldiazenylaniline ? | COC1=CC(N(CCCl)CCCl)=CC=C1N=NC1=CC=CC=C1 |
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What is the SMILES notation for 3-nitropropyl(piperidin-1-yl)diazene ? | O=[N+]([O-])CCCN=NN1CCCCC1 |
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Could you provide the SMILES for N-(2-cyanoethyl)-2-[(4-methylphenyl)sulfonylamino]acetamide ? | CC1=CC=C(S(=O)(=O)NCC(=O)NCCC#N)C=C1 |
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What is the SMILES representation of the molecule with IUPAC name 2,4-diphenylquinazoline ? | C1=CC=C(C2=NC(C3=CC=CC=C3)=C3C=CC=CC3=N2)C=C1 |
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The IUPAC name of a certain molecule is oxalic acid;6-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole . Can you provide its SMILES representation? | C1=CN2CC(C3=CC=CC=C3)N=C2S1;O=C(O)C(=O)O |
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Please write the SMILES representation of the molecule 2-chloro-3-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione . | COC1=C(OC)C(=O)C(SCC2=CC=C(Cl)C=C2)=C(Cl)C1=O |
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The IUPAC name of a certain molecule is 2-bromo-N,N-dimethyl-4-(2-quinolin-4-ylethenyl)aniline . Can you provide its SMILES representation? | CN(C)C1=CC=C(C=CC2=CC=NC3=CC=CC=C23)C=C1Br |
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What is the SMILES notation for (6-bromo-1,3-benzodioxol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone ? | O=C(C1=CC2=C(C=C1Br)OCO2)N1CCCC2=CC=CC=C21 |
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Please write the SMILES representation of the molecule 3-(hydroxymethyl)thiolan-2-one . | O=C1SCCC1CO |
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Please write the SMILES representation of the molecule [6-[2-[bis(2-chloroethyl)amino]acetyl]-2-hydroxy-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl] acetate . | COC1=CC=C2CC3C4=C(C=C(O)C=C4C2=C1OC(C)=O)CCN3C(=O)CN(CCCl)CCCl |
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What is the SMILES representation of the molecule with IUPAC name 2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide ? | COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(=O)CO)CC3OC3CC(NC(=O)C(F)(F)F)C(O)C(C)O3)C(O)=C1C2=O |
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What is the SMILES representation of the molecule with IUPAC name 2-[hexadecyl(methyl)amino]ethanol ? | CCCCCCCCCCCCCCCCN(C)CCO |
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Can you tell me the SMILES representation for the molecule 1-(2-fluorobenzoyl)-3H-indol-2-one ? | O=C1CC2=CC=CC=C2N1C(=O)C1=CC=CC=C1F |
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What is the SMILES notation for 1-(4-chlorophenyl)-3-(1,3-thiazol-2-yl)urea ? | O=C(NC1=CC=C(Cl)C=C1)NC1=NC=CS1 |
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