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Can you tell me the SMILES representation for the molecule 3,4,5-trimethoxy-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide ? | COC1=CC(C(=O)NC2CCC3=CC(OC)=C(OC)C(OC)=C3C3=CC=C(SC)C(=O)C=C32)=CC(OC)=C1OC |
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For the molecule with 4-acetamido-N-[3-chloro-2-(4-hydroxyphenyl)-4-oxoazetidin-1-yl]benzamide as the IUPAC name, what is the corresponding SMILES representation? | CC(=O)NC1=CC=C(C(=O)NN2C(=O)C(Cl)C2C2=CC=C(O)C=C2)C=C1 |
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Please identify the SMILES representation of the molecule named 2-[5-[hydroxy-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile . | COC1=CC=C(C=NNC(O)=C2SC(=C(C#N)C#N)N(C3=CC=CC=C3)C2=N)C=C1 |
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Please write the SMILES representation of the molecule N-[5-[(3-nitrophenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]-2-phenylacetamide . | O=C(CC1=CC=CC=C1)NN1C(=O)C(=CC2=CC=CC([N+](=O)[O-])=C2)SC1=NC1=CC=CC=C1 |
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For the molecule with dimethyl 8-(3-chlorophenyl)-6,9a-dimethyl-3,4,8,9-tetrahydro-2H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate as the IUPAC name, what is the corresponding SMILES representation? | COC(=O)C1=C(C)N2CCCOC2(C)C(C(=O)OC)C1C1=CC=CC(Cl)=C1 |
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[4-fluoro-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol is the IUPAC name of a molecule. Please give its SMILES representation. | NNC1=NC=NC2=C1N=CN2C1OC(CO)CC1F |
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For the molecule with ethyl 4-amino-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate as the IUPAC name, what is the corresponding SMILES representation? | CCOC(=O)C1=C(N)N(C2=CC=CC=C2)C(=S)N(C2=CC=CC=C2)C1=O |
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Please identify the SMILES representation of the molecule named ethyl 5-hydroxy-4-oxo-1,3-diphenyl-2-sulfanylidenethieno[2,3-d]pyrimidine-6-carboxylate . | CCOC(=O)C1=C(O)C2=C(S1)N(C1=CC=CC=C1)C(=S)N(C1=CC=CC=C1)C2=O |
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Could you provide the SMILES for 1-[6-amino-3-methyl-4-(2-nitrophenyl)-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenylethanone ? | CC1=NN(C(=O)CC2=CC=CC=C2)C2=C1C(C1=CC=CC=C1[N+](=O)[O-])SC(N)=N2 |
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Convert the IUPAC name of a molecule 3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxamide into SMILES representation. | NC(=O)C1=CC(C2=CC=C(N3C=CN=C3)C=C2)=NNC1=O |
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Please write the SMILES representation of the molecule N'-(2-amino-1,2-dicyanoethenyl)-N-(propan-2-ylideneamino)methanimidamide . | CC(C)=NNC=NC(C#N)=C(N)C#N |
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Please write the SMILES representation of the molecule tert-butyl 2-[4-[methyl-(2-phenylacetyl)amino]-1,2,4-triazol-1-ium-1-yl]acetate;bromide . | CN(C(=O)CC1=CC=CC=C1)N1C=N[N+](CC(=O)OC(C)(C)C)=C1;[Br-] |
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2-[[chloro-[[2-(dimethylamino)phenyl]methyl]gallanyl]methyl]-N,N-dimethylaniline The above is the IUPAC name of a molecule. Write its SMILES notation. | CN(C)C1=CC=CC=C1C[Ga](Cl)CC1=CC=CC=C1N(C)C |
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What is the SMILES representation of the molecule with IUPAC name 6-bromo-3-(bromomethyl)-7-chloro-7-methyloct-2-ene ? | CC=C(CBr)CCC(Br)C(C)(C)Cl;CC=C(CBr)CCC(Br)C(C)(C)Cl |
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Please write the SMILES representation of the molecule N,N'-bis(1,3,4,4-tetrachloro-1-nitrobuta-1,3-dien-2-yl)ethane-1,2-diamine . | O=[N+]([O-])C(Cl)=C(NCCNC(C(Cl)=C(Cl)Cl)=C(Cl)[N+](=O)[O-])C(Cl)=C(Cl)Cl |
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Could you provide the SMILES for (3'aR,10'aS)-spiro[1,3-dioxolane-2,8'-3a,4,5,6,6a,7,9,10-octahydro-1H-benzo[d][1]benzofuran]-2'-one ? | O=C1CC23CCC4(CC2CCCC3O1)OCCO4 |
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Could you provide the SMILES for 6-chloro-2-(3-methoxyphenyl)-1H-1,8-naphthyridin-4-one ? | COC1=CC=CC(C2=CC(=O)C3=CC(Cl)=CN=C3N2)=C1 |
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Please write the SMILES representation of the molecule [6-(3-acetyl-5-cyano-2-methyl-4-naphthalen-1-yl-6-sulfanylidenepyridin-1-yl)-3,4,5-triacetyloxyoxan-2-yl]methyl acetate . | CC(=O)OCC1OC(N2C(C)=C(C(C)=O)C(C3=CC=CC4=CC=CC=C34)=C(C#N)C2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
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8-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile The above is the IUPAC name of a molecule. Write its SMILES notation. | CC1CC(=O)N2CCCNC2=C1C#N |
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Please identify the SMILES representation of the molecule named 2-bromoquinolin-8-ol . | OC1=CC=CC2=CC=C(Br)N=C12 |
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Can you tell me the SMILES representation for the molecule 2-(2-nitrophenyl)-3-[4-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]phenyl]-1,3-thiazolidin-4-one ? | O=C1CSC(C2=CC=CC=C2[N+](=O)[O-])N1C1=CC=C(C2=CC=C(N3C(C4=CC=CC=C4)=NC4=CC=CC=C4C3=O)C=C2)C=C1 |
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Please identify the SMILES representation of the molecule named 2-(3,4-dimethoxyphenyl)-3-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]-1,3-thiazolidin-4-one . | COC1=CC=C(C2SCC(=O)N2C2=CC=C(N3C(C4=CC=CC=C4)=NC4=CC=CC=C4C3=O)C=C2)C=C1OC |
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What is the SMILES representation for 5,10-dihydropyrazolo[1,2-b]phthalazin-3-one ? | O=C1C=CN2CC3=CC=CC=C3CN12 |
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[1-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]cyclopent-3-en-1-yl]methanol is the IUPAC name of a molecule. Please give its SMILES representation. | NC1=NC(Cl)=CC(OCC2(CO)CC=CC2)=N1 |
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What is the SMILES representation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-2-carboxamide ? | CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(NC(=O)C3=CC=C4N=C5C=CC=CC5=C(NC5=CC=C(S(N)(=O)=O)C=C5)C4=C3)C=C2)=N1 |
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The IUPAC name of a certain molecule is (4R,6S)-4,6-diethoxy-5-oxatetracyclo[7.2.1.04,11.06,10]dodecane . Can you provide its SMILES representation? | CCOC12CCC3CC4CCC(OCC)(O1)C4C32 |
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Can you give the SMILES notation of the molecule 1-[3,5-bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-phenylprop-2-en-1-one ? | CN(C)CC1=CC(C(=O)C=CC2=CC=CC=C2)=CC(CN(C)C)=C1O |
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Can you tell me the SMILES representation for the molecule 6-(4-methoxyphenyl)-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine ? | COC1=CC=C(P2(=S)OC3=CC=CC=C3C3=CC=CC=C3O2)C=C1 |
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Can you give the SMILES notation of the molecule N-(4-methoxyphenyl)-3-oxo-3-(3-phenyl-5-piperidin-1-yl-3,4-dihydropyrazol-2-yl)propanamide ? | COC1=CC=C(NC(=O)CC(=O)N2N=C(N3CCCCC3)CC2C2=CC=CC=C2)C=C1 |
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Please write the SMILES representation of the molecule 2-pent-4-ynoxypyrimidine . | C#CCCCOC1=NC=CC=N1 |
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Convert the IUPAC name of a molecule 1,3,4,5-tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-2-one into SMILES representation. | O=C1CCCN2C(=NC3=CC=CC=C32)N1 |
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3-cyclopropyl-6-methyl-6-phenyl-1,3-oxazinane;hydrochloride is the IUPAC name of a molecule. Please give its SMILES representation. | CC1(C2=CC=CC=C2)CCN(C2CC2)CO1;Cl |
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What is the SMILES representation for 9-thia-2,3,4,5,11-pentazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one ? | O=C1C2=CC=CC=C2N2N=NN=C2C2CSCN12 |
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Could you provide the SMILES for [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[4-hydroxy-5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 3-phenylprop-2-enoate ? | COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=CC6=CC=CC=C6)C6(C)C(O)(C(C)=O)CCC76O)C5)OC4C)CC3OC)CC2OC)OC(C)C1O |
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Can you tell me the SMILES representation for the molecule 1-[(4-chlorophenyl)methylideneamino]-5-[5-[1-[(4-chlorophenyl)methylideneamino]-5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene]furo[3,4-b]pyrazin-7-ylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile ? | CC1=C(C#N)C(=O)N(N=CC2=CC=C(Cl)C=C2)C(=O)C1=C1OC(=C2C(=O)N(N=CC3=CC=C(Cl)C=C3)C(=O)C(C#N)=C2C)C2=NC=CN=C12 |
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The IUPAC name of a certain molecule is [(1S,2R,3R)-1-azido-3-hydroxy-2,3-dihydro-1H-inden-2-yl] methanesulfonate . Can you provide its SMILES representation? | CS(=O)(=O)OC1C(O)C2=CC=CC=C2C1N=[N+]=[N-] |
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What is the SMILES representation of the molecule with IUPAC name [(1S,2R,3R,3aS,4R,4aR,9aR,10R,10aR)-3,4,10-triacetyloxy-9a-(acetyloxymethyl)-3a,5-dihydroxy-2,4a,6-trimethyl-2,3,4,9,10,10a-hexahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate ? | CC(=O)OCC12CC3=CC=C(C)C(O)=C3C1(C)C(OC(C)=O)C1(O)C(OC(C)=O)C(C)C(OC(=O)C3=CC=CC=C3)C1C2OC(C)=O |
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Please write the SMILES representation of the molecule 5-(4-fluorophenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one . | O=C1C2=C(N=C3CN(C4=CC=C(F)C=C4)C=NN31)SC1=C2CCCC1 |
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What is the SMILES notation for 3,6'-dimethyl-8'-[(4-nitrophenyl)iminomethyl]spiro[1,3-benzoxazine-2,2'-chromene]-4-one ? | CC1=CC2=C(OC3(C=C2)OC2=CC=CC=C2C(=O)N3C)C(C=NC2=CC=C([N+](=O)[O-])C=C2)=C1 |
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What is the SMILES representation for N-[3-chloro-4-(4-chlorophenoxy)phenyl]-1-(4-chlorophenyl)methanimine ? | ClC1=CC=C(C=NC2=CC=C(OC3=CC=C(Cl)C=C3)C(Cl)=C2)C=C1 |
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Can you tell me the SMILES representation for the molecule 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-sulfobutanoic acid ? | CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C(=O)NC(CCS(=O)(=O)O)C(=O)O)C=C1 |
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Convert the IUPAC name of a molecule 2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-pyridin-4-ylprop-2-enenitrile into SMILES representation. | CC1=NN(C2=NC(N)=NC(C(C#N)=CC3=CC=NC=C3)=N2)C(C)(C)C1 |
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Can you tell me the SMILES representation for the molecule 4-[(4-methoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one ? | COC1=CC=C(C=NN2C(C)=NNC2=O)C=C1 |
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Could you provide the SMILES for [6-ethoxy-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl 2,2-dimethylpropanoate ? | CCOC1OC(COC(=O)C(C)(C)C)C(O)CC1N1C=C(C)C(=O)NC1=O |
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Could you provide the SMILES for 2-[[[dimethyl(2-phenylethoxy)silyl]amino]-dimethylsilyl]oxyethylbenzene ? | C[Si](C)(N[Si](C)(C)OCCC1=CC=CC=C1)OCCC1=CC=CC=C1 |
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Please write the SMILES representation of the molecule 4-[bis(2-cyanoethyl)amino]-N-(4-chlorophenyl)imino-N'-phenylbenzenecarboximidamide . | N#CCCN(CCC#N)C1=CC=C(C(N=NC2=CC=C(Cl)C=C2)=NC2=CC=CC=C2)C=C1 |
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Please identify the SMILES representation of the molecule named 6-(2-morpholin-4-ylethylsulfanyl)-1,3,5-triphenyl-2-sulfanylidenepyrimidin-4-one . | O=C1C(C2=CC=CC=C2)=C(SCCN2CCOCC2)N(C2=CC=CC=C2)C(=S)N1C1=CC=CC=C1 |
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Can you tell me the SMILES representation for the molecule 4-[C-[4-(dimethylamino)phenyl]carbonohydrazonoyl]-N,N-dimethylaniline ? | CN(C)C1=CC=C(C(=NN)C2=CC=C(N(C)C)C=C2)C=C1 |
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Can you tell me the SMILES representation for the molecule methyl (2R,3aS,4S,6R)-6-ethoxy-3a-methyl-4-phenyl-3,4,5,6-tetrahydro-2H-[1,2]oxazolo[2,3-b]oxazine-2-carboxylate ? | CCOC1CC(C2=CC=CC=C2)C2(C)CC(C(=O)OC)ON2O1 |
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What is the SMILES representation of the molecule with IUPAC name [4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate ? | COC1=CN2C=C(C3=CC=C(OC(=O)N(C)C)C=C3)N=C2C=C1 |
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Can you give the SMILES notation of the molecule (3S,6S,6aS)-6-[(1-ethoxyindol-3-yl)methyl]-3,6,6a-trihydroxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one ? | CCON1C=C(CC2(O)C(=O)OC3C(O)COC32O)C2=CC=CC=C21 |
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What is the SMILES representation for 2-[(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methylidene]propanedinitrile ? | CC1=C(C=C(C#N)C#N)C(=O)N(C)C(=O)N1C |
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Can you tell me the SMILES representation for the molecule N-methyl-4-[4-[4-(methylamino)butyl]piperazin-1-yl]butan-1-amine;hydrobromide ? | Br;CNCCCCN1CCN(CCCCNC)CC1 |
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For the molecule with hydrogen sulfate;4-phenyldithiol-2-ium as the IUPAC name, what is the corresponding SMILES representation? | C1=CC=C(C2=CS[S+]=C2)C=C1;O=S(=O)([O-])O |
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2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]chromene-3-carboxamide The above is the IUPAC name of a molecule. Write its SMILES notation. | N#CC1=C(N=C2OC3=CC=CC=C3C=C2C(N)=O)SC2=C1CCCC2 |
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Convert the IUPAC name of a molecule 4,5-dithiophen-2-yldithiine into SMILES representation. | C1=C(C2=CC=CS2)C(C2=CC=CS2)=CSS1 |
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Please write the SMILES representation of the molecule 3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one . | CSC1=CC=C(C=C2N=C(C3=CC=CC=C3)N(C3=NC4=CC(Cl)=C(F)C=C4S3)C2=O)C=C1 |
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For the molecule with (3R)-3-[2,3-dihydroxy-4-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-7-hydroxy-2,3-dihydrochromen-4-one as the IUPAC name, what is the corresponding SMILES representation? | C=CC(C)(C)C1=CC(C2COC3=CC(O)=CC=C3C2=O)=C(O)C(O)=C1OC |
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The IUPAC name of a certain molecule is [(1S,3S,4R,7R,10S)-2,5-bis-(4-methylphenyl)sulfonyl-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy-tert-butyl-dimethylsilane . Can you provide its SMILES representation? | CC1=CC=C(S(=O)(=O)N2CC3CCC4(CO[Si](C)(C)C(C)(C)C)C3C2C(C2=CC=CC=C2)N4S(=O)(=O)C2=CC=C(C)C=C2)C=C1 |
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Can you tell me the SMILES representation for the molecule (2S)-5-[furan-2-yl(dimethyl)silyl]-3,4-dimethylpent-4-ene-2,3-diol ? | CC(=C[Si](C)(C)C1=CC=CO1)C(C)(O)C(C)O |
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Please write the SMILES representation of the molecule ethyl 3-(4-methoxyphenyl)-10-oxo-5-thia-7,9,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carboxylate . | CCOC(=O)C1=CN=C2C3=C(N=CN2C1=O)SC=C3C1=CC=C(OC)C=C1 |
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What is the SMILES representation for 2-[5-(3-chloro-4-methylphenyl)-3-[3-(4-methoxyphenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide ? | COC1=CC=C(OC2=CC=CC(C3C4C(=O)N(C5=CC=C(C)C(Cl)=C5)C(=O)C4ON3C(C(N)=O)C3=CC=CC=C3)=C2)C=C1 |
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Can you give the SMILES notation of the molecule N-(1,3-benzothiazol-6-yl)-8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide ? | O=C(NC1=CC=C2N=CSC2=C1)C1=CC2=C(C=C1Cl)SC1=NC=CN1S2(=O)=O |
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Convert the IUPAC name of a molecule (3S,3aR,4S)-4-hydroxy-3-methoxy-3a,8-dimethyl-7-(2-sulfanylethylsulfanyl)-1,3,4,5,6,7-hexahydroazulen-2-one into SMILES representation. | COC1C(=O)CC2=C(C)C(SCCS)CCC(O)C21C |
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What is the SMILES representation for (5aR,6R,8aR)-5a-methyl-6-(6-methylheptan-2-yl)-N-phenyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[b]azepin-2-amine ? | CC(C)CCCC(C)C1CCC2N=C(NC3=CC=CC=C3)CCCC21C |
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Can you tell me the SMILES representation for the molecule 3-amino-1-(4-chlorophenyl)-1H-pyrido[2,1-b][1,3]benzoxazole-2,4-dicarbonitrile ? | N#CC1=C2OC3=CC=CC=C3N2C(C2=CC=C(Cl)C=C2)C(C#N)=C1N |
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The IUPAC name of a certain molecule is (4-methoxyphenyl)-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanone . Can you provide its SMILES representation? | COC1=CC=C(C(=O)C2=NC3=CC=CC=C3N=C2N2CCN(C)CC2)C=C1 |
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6,7-dimethoxy-4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline The above is the IUPAC name of a molecule. Write its SMILES notation. | COC1=CC2=NC(C3=CC=CS3)=NC(N3CCN(C4=CC=CC=C4)CC3)=C2C=C1OC |
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Can you give the SMILES notation of the molecule 2-[6-(2-methoxyphenyl)hex-3-en-1,5-diynyl]benzonitrile ? | COC1=CC=CC=C1C#CC=CC#CC1=CC=CC=C1C#N |
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Can you give the SMILES notation of the molecule 3-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol ? | CC1=CN=C2OC3=CC=C(O)C=C3C2=C1C1=CC=CC=C1 |
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What is the SMILES representation of the molecule with IUPAC name cerium;nitric acid ? | O=[N+]([O-])O;O=[N+]([O-])O;O=[N+]([O-])O;O=[N+]([O-])O;O=[N+]([O-])O;O=[N+]([O-])O;[Ce] |
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The IUPAC name of a certain molecule is N-[(3-aminophenyl)-[(5-chloropyrimidin-2-yl)amino]phosphoryl]-5-chloropyrimidin-2-amine . Can you provide its SMILES representation? | NC1=CC=CC(P(=O)(NC2=NC=C(Cl)C=N2)NC2=NC=C(Cl)C=N2)=C1 |
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Can you give the SMILES notation of the molecule 1-methylpyridin-1-ium-3-carbonitrile ? | C[N+]1=CC=CC(C#N)=C1 |
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2-(benzylideneamino)-3-hydroxy-3-phenylpropanoic acid is the IUPAC name of a molecule. Please give its SMILES representation. | O=C(O)C(N=CC1=CC=CC=C1)C(O)C1=CC=CC=C1 |
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Convert the IUPAC name of a molecule 6-chloro-2-methoxy-10H-acridin-9-one into SMILES representation. | COC1=CC=C2NC3=CC(Cl)=CC=C3C(=O)C2=C1 |
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The IUPAC name of a certain molecule is 2-[[4-(dimethylamino)phenyl]methylamino]ethanol . Can you provide its SMILES representation? | CN(C)C1=CC=C(CNCCO)C=C1 |
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Can you give the SMILES notation of the molecule ethyl 2-(piperidine-4-carbonylamino)propanoate ? | CCOC(=O)C(C)NC(=O)C1CCNCC1 |
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The IUPAC name of a certain molecule is 1-(10-piperidin-1-yldecyl)-2H-pyridine . Can you provide its SMILES representation? | C1=CCN(CCCCCCCCCCN2CCCCC2)C=C1 |
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What is the SMILES representation of the molecule with IUPAC name O-(4,4-diphenylbutyl)hydroxylamine ? | NOCCCC(C1=CC=CC=C1)C1=CC=CC=C1 |
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What is the SMILES representation for 2,6-dibromo-5H-purine ? | BrC1=NC2=NC=NC2C(Br)=N1 |
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For the molecule with 1,11-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,12,14,16-heptaene as the IUPAC name, what is the corresponding SMILES representation? | C1=CC2=CN3C4=CC=CC=C4C=CC3N2C=C1 |
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What is the SMILES representation of the molecule with IUPAC name 7-[2-(dipropylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione ? | CCCN(CCC)CCN1C(C(O)C2=CC=CC=C2)=NC2=C1C(=O)N(C)C(=O)N2C |
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Convert the IUPAC name of a molecule (5-nitrofuran-2-yl)methyl carbamimidothioate into SMILES representation. | N=C(N)SCC1=CC=C([N+](=O)[O-])O1 |
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Please identify the SMILES representation of the molecule named 2-chloro-1-N,4-N-bis[4-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide . | O=C(NC1=CC=C(C2=NCC(O)CN2)C=C1)C1=CC=C(C(=O)NC2=CC=C(C3=NCC(O)CN3)C=C2)C(Cl)=C1 |
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For the molecule with 2,2,4,4-tetramethyl-1-oxa-4-azoniaspiro[4.4]nonane as the IUPAC name, what is the corresponding SMILES representation? | CC1(C)C[N+](C)(C)C2(CCCC2)O1 |
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Please identify the SMILES representation of the molecule named 6-(3-fluoropropylsulfanyl)-5H-purine . | FCCCSC1=NC=NC2=NC=NC21 |
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The IUPAC name of a certain molecule is benzyl N-[1-[6-[6-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]hexylamino]hexylamino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate . Can you provide its SMILES representation? | O=C(NCCCCC(NC(=O)OCC1=CC=CC=C1)C(=O)NCCCCCCNCCCCCCNC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)OCC1=CC=CC=C1 |
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zinc;3-methylbut-3-enoic acid;pentane-2,4-dione;zinc is the IUPAC name of a molecule. Please give its SMILES representation. | C=C(C)CC(=O)O;CC(=O)[CH-]C(C)=O;CC(=O)[CH-]C(C)=O;CC(=O)[CH-]C(C)=O;[Zn+2];[Zn] |
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Can you give the SMILES notation of the molecule 3-(3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl)propyl-trimethylazanium ? | CC1CCCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1 |
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Can you tell me the SMILES representation for the molecule 2-methyl-[1,3]thiazolo[3,2-a]quinolin-10-ium ? | CC1=C[N+]2=C(C=CC3=CC=CC=C32)S1 |
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The IUPAC name of a certain molecule is (2-benzylphenyl)-(2,5-dimethylphenyl)methanimine . Can you provide its SMILES representation? | CC1=CC=C(C)C(C(=N)C2=CC=CC=C2CC2=CC=CC=C2)=C1 |
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What is the SMILES notation for chloro-[2-(2-methylpropanoylamino)cyclohexyl]mercury ? | CC(C)C(=O)NC1CCCCC1[Hg]Cl |
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For the molecule with 2-(5,5-dimethylcyclohex-2-en-1-yl)oxycarbonylbenzoic acid;2-(3,3-dimethylcyclohexyl)oxycarbonylbenzoic acid;(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol as the IUPAC name, what is the corresponding SMILES representation? | C=CC1CN2CCC1CC2C(O)C1=CC=NC2=CC=CC=C12;C=CC1CN2CCC1CC2C(O)C1=CC=NC2=CC=CC=C12;CC1(C)CC=CC(OC(=O)C2=CC=CC=C2C(=O)O)C1;CC1(C)CCCC(OC(=O)C2=CC=CC=C2C(=O)O)C1 |
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What is the SMILES representation for 2-methyl-3-[(2-nitrophenyl)methyl]-1,3-thiazol-3-ium ? | CC1=[N+](CC2=CC=CC=C2[N+](=O)[O-])C=CS1 |
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Can you give the SMILES notation of the molecule 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium ? | C[N+](C)(C)CCCN1C2=CC=CC=C2S(=O)C2=CC=C(Cl)C=C21 |
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The IUPAC name of a certain molecule is 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethylpyridin-1-ium-4-yl]methylideneamino]-N,N-dimethylaniline . Can you provide its SMILES representation? | CCC1=C[N+](CCC2=CC=C(OC)C(OC)=C2)=CC=C1C=NC1=CC=C(N(C)C)C=C1 |
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What is the SMILES representation of the molecule with IUPAC name (2-bromo-1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium ? | CCOC(=O)C(C)(Br)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
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What is the SMILES representation of the molecule with IUPAC name ethyl 4,4,4-trifluoro-3-oxobutanoate;nickel ? | CCOC(=O)CC(=O)C(F)(F)F;CCOC(=O)CC(=O)C(F)(F)F;[Ni] |
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For the molecule with 3-(3-nitrophenyl)-[1,3]oxazolo[3,2-a]pyridin-4-ium as the IUPAC name, what is the corresponding SMILES representation? | O=[N+]([O-])C1=CC=CC(C2=COC3=CC=CC=[N+]23)=C1 |
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What is the SMILES representation of the molecule with IUPAC name bromo-(trimethylazaniumyl)boranuide ? | C[N+](C)(C)[BH2-]Br |
Subsets and Splits