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The IUPAC name of a certain molecule is 2-amino-3-benzoyl-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione . Can you provide its SMILES representation? | NC1C(=O)C2CCCCC2C(=O)C1C(=O)C1=CC=CC=C1 |
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5-phenyl-3,4,5-triazatricyclo[5.2.1.02,6]dec-3-ene-8,9-dicarbonitrile The above is the IUPAC name of a molecule. Write its SMILES notation. | N#CC1C(C#N)C2CC1C1N=NN(C3=CC=CC=C3)C21 |
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Can you tell me the SMILES representation for the molecule N-phenyl-N-pyridin-2-ylnitrous amide ? | O=NN(C1=CC=CC=C1)C1=CC=CC=N1 |
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Please identify the SMILES representation of the molecule named 2-[2-[carboxymethyl(nitroso)amino]ethyl-nitrosoamino]acetic acid . | O=NN(CCN(CC(=O)O)N=O)CC(=O)O |
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Can you give the SMILES notation of the molecule [4-bromo-3-(bromomethyl)butan-2-yl]benzene ? | CC(C1=CC=CC=C1)C(CBr)CBr |
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For the molecule with 2,3-dichloro-2-methyl-1,3-diphenylpropan-1-one as the IUPAC name, what is the corresponding SMILES representation? | CC(Cl)(C(=O)C1=CC=CC=C1)C(Cl)C1=CC=CC=C1 |
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What is the SMILES notation for diethyl 1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxylate ? | CCOC(=O)C1C(=O)C(=O)N(C2CCCCC2)C1C(=O)OCC |
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The IUPAC name of a certain molecule is tris(4-chlorophenyl)stibane . Can you provide its SMILES representation? | ClC1=CC=C([Sb](C2=CC=C(Cl)C=C2)C2=CC=C(Cl)C=C2)C=C1 |
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Can you give the SMILES notation of the molecule [2-(4-bromophenyl)-2-oxoethyl] thiocyanate ? | N#CSCC(=O)C1=CC=C(Br)C=C1 |
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What is the SMILES notation for N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline ? | CN(C)C1=CC=C(CN2CCCCC2)C=C1 |
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What is the SMILES representation of the molecule with IUPAC name 4-(2,4,4,6,6,8,8-heptamorpholin-4-yl-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl)morpholine ? | C1CN(P2(N3CCOCC3)=NP(N3CCOCC3)(N3CCOCC3)=NP(N3CCOCC3)(N3CCOCC3)=NP(N3CCOCC3)(N3CCOCC3)=N2)CCO1 |
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The IUPAC name of a certain molecule is 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol . Can you provide its SMILES representation? | OCCN1CCC2=CC=CC=C2C1 |
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What is the SMILES representation of the molecule with IUPAC name N-[bis(diethylaminomethyl)phosphanylmethyl]-N-ethylethanamine ? | CCN(CC)CP(CN(CC)CC)CN(CC)CC |
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Convert the IUPAC name of a molecule 1,2,3,4-tetrahydronaphthalene-2,3-diol into SMILES representation. | OC1CC2=CC=CC=C2CC1O |
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Can you tell me the SMILES representation for the molecule 2,2-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide ? | O=C(NC1=NC2=CC=C([N+](=O)[O-])C=C2S1)C(Cl)Cl |
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The IUPAC name of a certain molecule is 8-[2-[(3-bromophenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione . Can you provide its SMILES representation? | CN1C(=O)C2=C(N=C(NN=CC3=CC=CC(Br)=C3)N2C)N(C)C1=O |
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For the molecule with 10-(carbamoylamino)decylurea as the IUPAC name, what is the corresponding SMILES representation? | NC(=O)NCCCCCCCCCCNC(N)=O |
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The IUPAC name of a certain molecule is 3-(pyridin-2-ylmethylamino)propan-1-ol . Can you provide its SMILES representation? | OCCCNCC1=CC=CC=N1 |
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Can you tell me the SMILES representation for the molecule 1-[(2-amino-3-hydroxypropanoyl)amino]cyclopentane-1-carboxylic acid ? | NC(CO)C(=O)NC1(C(=O)O)CCCC1 |
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For the molecule with 2-[[1-(diaminomethylidenehydrazinylidene)-3-methylbutan-2-ylidene]amino]guanidine as the IUPAC name, what is the corresponding SMILES representation? | CC(C)C(C=NN=C(N)N)=NN=C(N)N |
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(3-methylpyridin-2-yl)hydrazine is the IUPAC name of a molecule. Please give its SMILES representation. | CC1=CC=CN=C1NN |
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What is the SMILES notation for 5-chloro-2-hydroxy-N,N-dimethyl-3-phenylbenzamide ? | CN(C)C(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1O |
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What is the SMILES representation of the molecule with IUPAC name 2-[(4-methylpiperazin-1-yl)methylsulfanyl]-1,3-benzothiazole ? | CN1CCN(CSC2=NC3=CC=CC=C3S2)CC1 |
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2-(4-chloroanilino)-1,2-diphenylethanone is the IUPAC name of a molecule. Please give its SMILES representation. | O=C(C1=CC=CC=C1)C(NC1=CC=C(Cl)C=C1)C1=CC=CC=C1 |
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Please write the SMILES representation of the molecule 6-(dimethylamino)-7-methoxyquinoline-5,8-dione . | COC1=C(N(C)C)C(=O)C2=CC=CN=C2C1=O |
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[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-2-hydroxy-10a,12a-dimethyl-1,3-dioxo-4a,4b,5,6,6a,7,8,9,10,10b,11,12-dodecahydro-4H-naphtho[2,1-f]isoquinolin-8-yl] acetate The above is the IUPAC name of a molecule. Write its SMILES notation. | CC(=O)OC1CCC2(C)C(CCC3C4CC(=O)N(O)C(=O)C4(C)CCC32)C1 |
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For the molecule with 3-methoxy-9,10-dihydro-8H-phenanthridin-7-one as the IUPAC name, what is the corresponding SMILES representation? | COC1=CC=C2C3=C(C=NC2=C1)C(=O)CCC3 |
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2-[morpholin-4-yl(phenyl)methyl]phenol is the IUPAC name of a molecule. Please give its SMILES representation. | OC1=CC=CC=C1C(C1=CC=CC=C1)N1CCOCC1 |
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Could you provide the SMILES for [4-[(5-hexyl-2,4-dihydroxyphenyl)diazenyl]phenyl]arsonic acid ? | CCCCCCC1=CC(N=NC2=CC=C([As](=O)(O)O)C=C2)=C(O)C=C1O |
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What is the SMILES notation for (3R,5R,8R,9R,10S,13S,14S,17S)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,17-diol ? | CC12CCC3C4CCC(O)CC4CCC3C1CCC2O |
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4-[2-(4-nitrophenyl)ethenyl]-2-oxidocinnolin-2-ium The above is the IUPAC name of a molecule. Write its SMILES notation. | O=[N+]([O-])C1=CC=C(C=CC2=C[N+]([O-])=NC3=CC=CC=C23)C=C1 |
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Could you provide the SMILES for 4-decyl-2H-triazole ? | CCCCCCCCCCC1=NNN=C1 |
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2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanamide is the IUPAC name of a molecule. Please give its SMILES representation. | NCC(=O)NC(CC1=CC=C(O)C=C1)C(N)=O |
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Convert the IUPAC name of a molecule [4-(7-acetyloxy-4-ethyl-2,2-dimethylchromen-3-yl)phenyl] acetate into SMILES representation. | CCC1=C(C2=CC=C(OC(C)=O)C=C2)C(C)(C)OC2=CC(OC(C)=O)=CC=C12 |
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Please identify the SMILES representation of the molecule named triethyl 3-ethyl-5-oxopyrrolidine-2,2,4-tricarboxylate . | CCOC(=O)C1C(=O)NC(C(=O)OCC)(C(=O)OCC)C1CC |
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For the molecule with 2-thia-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene as the IUPAC name, what is the corresponding SMILES representation? | C1=CC=C2C3=C(C=CC2=C1)SC1=C(C=CC2=CC=CC=C12)N3 |
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N-[4-[5-(4-acetamidophenyl)pentyl]phenyl]acetamide The above is the IUPAC name of a molecule. Write its SMILES notation. | CC(=O)NC1=CC=C(CCCCCC2=CC=C(NC(C)=O)C=C2)C=C1 |
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1-phenylpiperazine;undecanoic acid is the IUPAC name of a molecule. Please give its SMILES representation. | C1=CC=C(N2CCNCC2)C=C1;CCCCCCCCCCC(=O)O |
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Can you give the SMILES notation of the molecule 3-(3-methylquinoxalin-2-yl)propanoic acid ? | CC1=NC2=CC=CC=C2N=C1CCC(=O)O |
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What is the SMILES representation of the molecule with IUPAC name 9,10-dipyridin-2-yl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,10,12,14-octaene ? | C1=CC=C(C2=NC3=CC=CC=C3C3=CC=CC=C3N=C2C2=CC=CC=N2)N=C1 |
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4-[(4-ethoxy-4-oxobut-2-enoyl)amino]-2-hydroxybenzoic acid The above is the IUPAC name of a molecule. Write its SMILES notation. | CCOC(=O)C=CC(=O)NC1=CC=C(C(=O)O)C(O)=C1 |
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What is the SMILES representation for 2-phenyl-4-prop-2-enoxypyrimidine ? | C=CCOC1=CC=NC(C2=CC=CC=C2)=N1 |
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Could you provide the SMILES for [4-(2-methylphenyl)piperazin-1-yl]-phenylmethanone ? | CC1=CC=CC=C1N1CCN(C(=O)C2=CC=CC=C2)CC1 |
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Please write the SMILES representation of the molecule 2,6-bis(2,4-dinitroanilino)hexanoic acid . | O=C(O)C(CCCCNC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])NC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-] |
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Convert the IUPAC name of a molecule 4-(6-aminopurin-9-yl)-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2-thione into SMILES representation. | NC1=NC=NC2=C1N=CN2C1OC(CO)C2OC(=S)OC21 |
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For the molecule with 1-amino-3-[[4-(diethylamino)phenyl]methylideneamino]urea as the IUPAC name, what is the corresponding SMILES representation? | CCN(CC)C1=CC=C(C=NNC(=O)NN)C=C1 |
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What is the SMILES representation of the molecule with IUPAC name N-prop-2-enylpyridin-2-amine ? | C=CCNC1=CC=CC=N1 |
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The IUPAC name of a certain molecule is ethyl 4-[formyl(3-oxopropyl)amino]benzoate . Can you provide its SMILES representation? | CCOC(=O)C1=CC=C(N(C=O)CCC=O)C=C1 |
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Can you give the SMILES notation of the molecule 2,3,7-tribromo-9H-fluoren-4-amine ? | NC1=C(Br)C(Br)=CC2=C1C1=CC=C(Br)C=C1C2 |
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Could you provide the SMILES for 1-N,4-N-bis[4-[N-(2-chloroethylcarbamoyl)-N,N'-diethylcarbamimidoyl]phenyl]benzene-1,4-dicarboxamide ? | CCN=C(C1=CC=C(NC(=O)C2=CC=C(C(=O)NC3=CC=C(C(=NCC)N(CC)C(=O)NCCCl)C=C3)C=C2)C=C1)N(CC)C(=O)NCCCl |
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Please write the SMILES representation of the molecule (2,6-dibromo-4-phenylphenyl)-(furan-2-yl)methanone . | O=C(C1=CC=CO1)C1=C(Br)C=C(C2=CC=CC=C2)C=C1Br |
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What is the SMILES notation for 5,6-diamino-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one ? | CN1C(N)=C(N)C(=O)N(C)C1=S |
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What is the SMILES representation of the molecule with IUPAC name methyl 4-iodo-2,6-dimethylbenzoate ? | COC(=O)C1=C(C)C=C(I)C=C1C |
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Could you provide the SMILES for 2-(phenyliminocarbamoylamino)acetic acid ? | O=C(O)CNC(=O)N=NC1=CC=CC=C1 |
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What is the SMILES representation for N-[(4-chloro-3,4-dimethylpentan-2-ylidene)amino]-2,4-dinitroaniline ? | CC(=NNC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])C(C)C(C)(C)Cl |
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Convert the IUPAC name of a molecule 8-naphthalen-1-yl-10,11-dihydro-9H-benzo[a]anthracen-8-ol into SMILES representation. | OC1(C2=CC=CC3=CC=CC=C23)CCCC2=CC3=C(C=CC4=CC=CC=C43)C=C21 |
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Can you give the SMILES notation of the molecule 5-(3-hydroxyphenyl)imidazolidine-2,4-dione ? | O=C1NC(=O)C(C2=CC=CC(O)=C2)N1 |
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Could you provide the SMILES for (1,3-dioxoisoindol-2-yl) acetate ? | CC(=O)ON1C(=O)C2=CC=CC=C2C1=O |
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Could you provide the SMILES for 6-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenylpteridine-4,7-diamine ? | NC1=NC2=NC(C3=CC=CC=C3)=NC(N)=C2N=C1C1=CC=C(N(CCCl)CCCl)C=C1 |
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What is the SMILES representation of the molecule with IUPAC name 5-(thiadiazol-4-yl)thiadiazole-4-carboxylic acid ? | O=C(O)C1=C(C2=CSN=N2)SN=N1 |
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Please identify the SMILES representation of the molecule named 1-nitroso-2-(1-nitrosoindol-3-yl)indole . | O=NN1C=C(C2=CC3=CC=CC=C3N2N=O)C2=CC=CC=C21 |
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For the molecule with 1-(2-methoxyphenyl)-2,4-dinitrobenzene as the IUPAC name, what is the corresponding SMILES representation? | COC1=CC=CC=C1C1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-] |
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What is the SMILES notation for 1-(2-chloroethyl)-3-(1,1-dioxothian-4-yl)urea ? | O=C(NCCCl)NC1CCS(=O)(=O)CC1 |
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The IUPAC name of a certain molecule is N'-(3-bromo-9-oxofluoren-2-yl)-2,2,2-trifluoro-N-hydroxyethanimidamide . Can you provide its SMILES representation? | O=C1C2=CC=CC=C2C2=CC(Br)=C(N=C(NO)C(F)(F)F)C=C12 |
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The IUPAC name of a certain molecule is 2,2-dimethyl-3-pyrrolidin-1-ylpropan-1-ol . Can you provide its SMILES representation? | CC(C)(CO)CN1CCCC1 |
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What is the SMILES representation of the molecule with IUPAC name ethyl N-(thiophen-2-ylmethylideneamino)carbamate ? | CCOC(=O)NN=CC1=CC=CS1 |
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Please write the SMILES representation of the molecule diethyl 3-(4-benzoylanilino)pent-2-enedioate . | CCOC(=O)C=C(CC(=O)OCC)NC1=CC=C(C(=O)C2=CC=CC=C2)C=C1 |
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What is the SMILES representation of the molecule with IUPAC name N-[4-[(4-bromophenyl)methyl]phenyl]acetamide ? | CC(=O)NC1=CC=C(CC2=CC=C(Br)C=C2)C=C1 |
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What is the SMILES representation for N-(2,4-dinitrophenyl)sulfanylaniline ? | O=[N+]([O-])C1=CC=C(SNC2=CC=CC=C2)C([N+](=O)[O-])=C1 |
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Please identify the SMILES representation of the molecule named 2-(8-methoxy-1,1-dimethyl-2-oxo-4,9,10,10a-tetrahydro-3H-phenanthren-4a-yl)acetic acid . | COC1=CC=CC2=C1CCC1C(C)(C)C(=O)CCC21CC(=O)O |
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7-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine is the IUPAC name of a molecule. Please give its SMILES representation. | CC1=NC=C2CNC(C3=CC=C(Cl)C(Cl)=C3)NC2=N1 |
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What is the SMILES notation for N-[(5R,6R)-6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylacetamide ? | CC1(NC(=O)CC2=CC=CC=C2)C(=O)N2CCSC21C1=CC=CC=C1 |
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The IUPAC name of a certain molecule is 3,4-dibromo-8-methoxycarbonyltricyclo[4.2.2.02,5]deca-3,9-diene-7-carboxylic acid . Can you provide its SMILES representation? | COC(=O)C1C2C=CC(C1C(=O)O)C1C(Br)=C(Br)C21 |
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For the molecule with 6-methoxycyclodecan-1-one as the IUPAC name, what is the corresponding SMILES representation? | COC1CCCCC(=O)CCCC1 |
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What is the SMILES notation for 4-benzylsulfanylbutan-2-one ? | CC(=O)CCSCC1=CC=CC=C1 |
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What is the SMILES notation for 3,4,5,6,7-pentahydroxy-2-oxoheptanal ? | O=CC(=O)C(O)C(O)C(O)C(O)CO |
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1-N,4-N-bis(thioxanthen-9-ylideneamino)phthalazine-1,4-diamine The above is the IUPAC name of a molecule. Write its SMILES notation. | C1=CC=C2C(=NNC3=NN=C(NN=C4C5=CC=CC=C5SC5=CC=CC=C45)C4=CC=CC=C34)C3=CC=CC=C3SC2=C1 |
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Please write the SMILES representation of the molecule 1-[2-chloro-1-(4-methylphenyl)ethenyl]-4-methylbenzene . | CC1=CC=C(C(=CCl)C2=CC=C(C)C=C2)C=C1 |
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Please write the SMILES representation of the molecule 3-(4-aminophenoxy)propanenitrile . | N#CCCOC1=CC=C(N)C=C1 |
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Convert the IUPAC name of a molecule 2-[5,6-dimethyl-2-(methylamino)benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol into SMILES representation. | CNC1=NC2=CC(C)=C(C)C=C2N1C1OC(CO)C(O)C1O |
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Convert the IUPAC name of a molecule diethyl 2-[(6-aminopyridine-3-carbonyl)amino]pentanedioate into SMILES representation. | CCOC(=O)CCC(NC(=O)C1=CC=C(N)N=C1)C(=O)OCC |
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What is the SMILES notation for 3-[(9,10-dioxo-2-sulfoanthracen-1-yl)diazenyl]-2-hydroxybenzoic acid ? | O=C(O)C1=CC=CC(N=NC2=C(S(=O)(=O)O)C=CC3=C2C(=O)C2=CC=CC=C2C3=O)=C1O |
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What is the SMILES representation for N,2-dimethoxy-2-(3-nitrophenyl)-1-phenylethanimine ? | CON=C(C1=CC=CC=C1)C(OC)C1=CC=CC([N+](=O)[O-])=C1 |
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Could you provide the SMILES for (2-methylsulfonyl-2-phenylethyl)benzene ? | CS(=O)(=O)C(CC1=CC=CC=C1)C1=CC=CC=C1 |
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What is the SMILES notation for dicyclopentylmethylcyclopentane ? | C1CCC(C(C2CCCC2)C2CCCC2)C1 |
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What is the SMILES representation for 2-[hydroxy(phenyl)phosphoryl]benzoic acid ? | O=C(O)C1=CC=CC=C1P(=O)(O)C1=CC=CC=C1 |
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Could you provide the SMILES for N-[(4-aminophenyl)-(naphthalen-2-ylamino)phosphoryl]naphthalen-2-amine ? | NC1=CC=C(P(=O)(NC2=CC=C3C=CC=CC3=C2)NC2=CC=C3C=CC=CC3=C2)C=C1 |
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Please identify the SMILES representation of the molecule named spiro[2,3-dihydronaphthalene-4,5'-piperidine]-1,2'-dione . | O=C1CCC2(CCC(=O)C3=CC=CC=C32)CN1 |
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Please write the SMILES representation of the molecule N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-(4-ethylphenyl)acetamide . | CCC1=CC=C(N(C(C)=O)C2=C(Cl)C(=O)C3=CC=CC=C3C2=O)C=C1 |
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Can you tell me the SMILES representation for the molecule 2-amino-5-[[1-(carboxymethylamino)-3-[(4-fluorophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid ? | NC(CCC(=O)NC(CSCC1=CC=C(F)C=C1)C(=O)NCC(=O)O)C(=O)O |
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1-(2-adamantyl)-3-(2-fluoroethyl)urea is the IUPAC name of a molecule. Please give its SMILES representation. | O=C(NCCF)NC1C2CC3CC(C2)CC1C3 |
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Can you tell me the SMILES representation for the molecule 5-[3-(2-chloro-4-nitrophenoxy)propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride ? | CC1=CC=C(NC(=O)NCCCOC2=CC=C([N+](=O)[O-])C=C2Cl)C=C1S(=O)(=O)F |
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The IUPAC name of a certain molecule is ethyl 2-diethoxyphosphorylheptanoate . Can you provide its SMILES representation? | CCCCCC(C(=O)OCC)P(=O)(OCC)OCC |
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Can you give the SMILES notation of the molecule ethyl 3-diethoxyphosphorylpropanoate ? | CCOC(=O)CCP(=O)(OCC)OCC |
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For the molecule with (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;2-methyl-3-phenylpropanoic acid as the IUPAC name, what is the corresponding SMILES representation? | C=CC1CN2CCC1CC2C(O)C1=CC=NC2=CC=C(OC)C=C12;CC(CC1=CC=CC=C1)C(=O)O |
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For the molecule with 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene as the IUPAC name, what is the corresponding SMILES representation? | C1CCC2C(C1)CCCC2CC1CCCC2CCCCC21 |
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9,10-dimethoxy-2,3-diphenyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine The above is the IUPAC name of a molecule. Write its SMILES notation. | COC1=CC2=C(C=C1OC)C1CC(C3=CC=CC=C3)=C(C3=CC=CC=C3)CN1CC2 |
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dimethyl 3-pyrrolidin-1-ylcyclodeca-2,10-diene-1,2-dicarboxylate The above is the IUPAC name of a molecule. Write its SMILES notation. | COC(=O)C1=CCCCCCCC(N2CCCC2)=C1C(=O)OC |
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Can you tell me the SMILES representation for the molecule 3-oxo-N-(4-phenylphenyl)butanamide ? | CC(=O)CC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1 |
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What is the SMILES representation for 2-iodo-N-[4-(methylsulfamoyl)phenyl]acetamide ? | CNS(=O)(=O)C1=CC=C(NC(=O)CI)C=C1 |
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