id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 2
1.6k
| messages
listlengths 3
3
|
|---|---|---|---|
0 | {
"selfies": [],
"smiles": []
} | CCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC2=CC=C(OC)C=C12 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "The IUPAC name of a certain molecule is 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine . Can you provide its SMILES representation?",
"role": "user"
},
{
"content": "CCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC2=CC=C(OC)C=C12",
"role": "assistant"
}
] |
1 | {
"selfies": [],
"smiles": []
} | NOCC(=O)O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "2-aminooxyacetic acid The above is the IUPAC name of a molecule. Write its SMILES notation.",
"role": "user"
},
{
"content": "NOCC(=O)O",
"role": "assistant"
}
] |
2 | {
"selfies": [],
"smiles": []
} | CN1CCCC1C1=CC=C[N+](C)=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "1-methyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
},
{
"content": "CN1CCCC1C1=CC=C[N+](C)=C1",
"role": "assistant"
}
] |
3 | {
"selfies": [],
"smiles": []
} | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Could you provide the SMILES for 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-ol ?",
"role": "user"
},
{
"content": "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO",
"role": "assistant"
}
] |
4 | {
"selfies": [],
"smiles": []
} | CCCCCCCCCCCC(O)CC(=O)OC1C(N)C(OP(=O)(O)OP(=O)(O)OCC2OC(N3C=CC(=O)NC3=O)C(O)C2O)OC(CO)C1O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Could you provide the SMILES for [3-amino-2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] 3-hydroxytetradecanoate ?",
"role": "user"
},
{
"content": "CCCCCCCCCCCC(O)CC(=O)OC1C(N)C(OP(=O)(O)OP(=O)(O)OCC2OC(N3C=CC(=O)NC3=O)C(O)C2O)OC(CO)C1O",
"role": "assistant"
}
] |
5 | {
"selfies": [],
"smiles": []
} | CCN(CC)CCCCNC1=NC=C2C=C(C3=CC(OC)=CC(OC)=C3)C(NC(=O)NC(C)(C)C)=NC2=N1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES notation for 1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea ?",
"role": "user"
},
{
"content": "CCN(CC)CCCCNC1=NC=C2C=C(C3=CC(OC)=CC(OC)=C3)C(NC(=O)NC(C)(C)C)=NC2=N1",
"role": "assistant"
}
] |
6 | {
"selfies": [],
"smiles": []
} | CC1=CC=CC=C1N1C(CF)=NC2=CC=C(N)C=C2C1=O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the IUPAC name of a molecule 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one into SMILES representation.",
"role": "user"
},
{
"content": "CC1=CC=CC=C1N1C(CF)=NC2=CC=C(N)C=C2C1=O",
"role": "assistant"
}
] |
7 | {
"selfies": [],
"smiles": []
} | CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES notation for 2-(3,7-dimethylnona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexene ?",
"role": "user"
},
{
"content": "CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C",
"role": "assistant"
}
] |
8 | {
"selfies": [],
"smiles": []
} | COC(=O)C1CSC2(C3=CC=CC=C3)C3=CC=CC=C3C(=O)N12 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "methyl 5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate The above is the IUPAC name of a molecule. Write its SMILES notation.",
"role": "user"
},
{
"content": "COC(=O)C1CSC2(C3=CC=CC=C3)C3=CC=CC=C3C(=O)N12",
"role": "assistant"
}
] |
9 | {
"selfies": [],
"smiles": []
} | CCC(C)C1NC(=O)C(C2=CN(OC)C3=CC=CC=C23)NC(=O)C(CCCCCC(=O)OC)NC(=O)C2CCCCN2C1=O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the SMILES representation for the molecule methyl 6-[3-butan-2-yl-6-(1-methoxyindol-3-yl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]hexanoate ?",
"role": "user"
},
{
"content": "CCC(C)C1NC(=O)C(C2=CN(OC)C3=CC=CC=C23)NC(=O)C(CCCCCC(=O)OC)NC(=O)C2CCCCN2C1=O",
"role": "assistant"
}
] |
10 | {
"selfies": [],
"smiles": []
} | O=C(NNCS(=O)(=O)O)C1=CC=NC=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please identify the SMILES representation of the molecule named [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid .",
"role": "user"
},
{
"content": "O=C(NNCS(=O)(=O)O)C1=CC=NC=C1",
"role": "assistant"
}
] |
11 | {
"selfies": [],
"smiles": []
} | C#CCOS(=O)OC1CCCCC1OC1=CC=C(C(C)(C)C)C=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "The IUPAC name of a certain molecule is [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite . Can you provide its SMILES representation?",
"role": "user"
},
{
"content": "C#CCOS(=O)OC1CCCCC1OC1=CC=C(C(C)(C)C)C=C1",
"role": "assistant"
}
] |
12 | {
"selfies": [],
"smiles": []
} | COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "The IUPAC name of a certain molecule is 1,18-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone . Can you provide its SMILES representation?",
"role": "user"
},
{
"content": "COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C",
"role": "assistant"
}
] |
13 | {
"selfies": [],
"smiles": []
} | COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1;Cl | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Could you provide the SMILES for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine;hydrochloride ?",
"role": "user"
},
{
"content": "COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1;Cl",
"role": "assistant"
}
] |
14 | {
"selfies": [],
"smiles": []
} | O=S(=O)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES notation for 1-(benzenesulfonyl)-4-chlorobenzene ?",
"role": "user"
},
{
"content": "O=S(=O)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1",
"role": "assistant"
}
] |
15 | {
"selfies": [],
"smiles": []
} | C1=CC=C(C2=CN=C(C3=CC=CC=C3)O2)C=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES notation for 2,5-diphenyl-1,3-oxazole ?",
"role": "user"
},
{
"content": "C1=CC=C(C2=CN=C(C3=CC=CC=C3)O2)C=C1",
"role": "assistant"
}
] |
16 | {
"selfies": [],
"smiles": []
} | CC1=NC2=CC=CC=C2S1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES representation for 2-methyl-1,3-benzothiazole ?",
"role": "user"
},
{
"content": "CC1=NC2=CC=CC=C2S1",
"role": "assistant"
}
] |
17 | {
"selfies": [],
"smiles": []
} | CC(C)(CO)C(O)C(=O)NCCC(=O)[O-];CC(C)(CO)C(O)C(=O)NCCC(=O)[O-];[Ca+2] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please identify the SMILES representation of the molecule named calcium;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate .",
"role": "user"
},
{
"content": "CC(C)(CO)C(O)C(=O)NCCC(=O)[O-];CC(C)(CO)C(O)C(=O)NCCC(=O)[O-];[Ca+2]",
"role": "assistant"
}
] |
18 | {
"selfies": [],
"smiles": []
} | COP(=S)(OC)OC | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Could you provide the SMILES for trimethoxy(sulfanylidene)-lambda5-phosphane ?",
"role": "user"
},
{
"content": "COP(=S)(OC)OC",
"role": "assistant"
}
] |
19 | {
"selfies": [],
"smiles": []
} | CC1(C)N=C(N)N=C(N)N1C1=CC=C(Cl)C=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule with 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine as the IUPAC name, what is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC1(C)N=C(N)N=C(N)N1C1=CC=C(Cl)C=C1",
"role": "assistant"
}
] |
20 | {
"selfies": [],
"smiles": []
} | O=C=NCC(F)(F)C(F)(F)C(F)(F)F | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the SMILES notation of the molecule 1,1,1,2,2,3,3-heptafluoro-4-isocyanatobutane ?",
"role": "user"
},
{
"content": "O=C=NCC(F)(F)C(F)(F)C(F)(F)F",
"role": "assistant"
}
] |
21 | {
"selfies": [],
"smiles": []
} | C[Hg+];N#CN=C([NH-])N | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "(N'-cyanocarbamimidoyl)azanide;methylmercury(1+) is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
},
{
"content": "C[Hg+];N#CN=C([NH-])N",
"role": "assistant"
}
] |
22 | {
"selfies": [],
"smiles": []
} | CC(C)CS | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "2-methylpropane-1-thiol The above is the IUPAC name of a molecule. Write its SMILES notation.",
"role": "user"
},
{
"content": "CC(C)CS",
"role": "assistant"
}
] |
23 | {
"selfies": [],
"smiles": []
} | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the IUPAC name of a molecule dotriacontane into SMILES representation.",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC",
"role": "assistant"
}
] |
24 | {
"selfies": [],
"smiles": []
} | C1=CC=C2CC3=CC=CC=C3CC2=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the SMILES representation of the molecule 9,10-dihydroanthracene .",
"role": "user"
},
{
"content": "C1=CC=C2CC3=CC=CC=C3CC2=C1",
"role": "assistant"
}
] |
25 | {
"selfies": [],
"smiles": []
} | CCOC(=O)N(CC)N=O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the SMILES representation of the molecule ethyl N-ethyl-N-nitrosocarbamate .",
"role": "user"
},
{
"content": "CCOC(=O)N(CC)N=O",
"role": "assistant"
}
] |
26 | {
"selfies": [],
"smiles": []
} | OC1=CC=C(Br)C=C1Br | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the SMILES notation of the molecule 2,4-dibromophenol ?",
"role": "user"
},
{
"content": "OC1=CC=C(Br)C=C1Br",
"role": "assistant"
}
] |
27 | {
"selfies": [],
"smiles": []
} | O=C1C=CNC=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please identify the SMILES representation of the molecule named 1H-pyridin-4-one .",
"role": "user"
},
{
"content": "O=C1C=CNC=C1",
"role": "assistant"
}
] |
28 | {
"selfies": [],
"smiles": []
} | CC1=CC(OC2=C(I)C=C(CCO)C=C2I)=CC(C)=C1O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the SMILES notation of the molecule 4-[4-(2-hydroxyethyl)-2,6-diiodophenoxy]-2,6-dimethylphenol ?",
"role": "user"
},
{
"content": "CC1=CC(OC2=C(I)C=C(CCO)C=C2I)=CC(C)=C1O",
"role": "assistant"
}
] |
29 | {
"selfies": [],
"smiles": []
} | CCC12COP(OC1)OC2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please identify the SMILES representation of the molecule named 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane .",
"role": "user"
},
{
"content": "CCC12COP(OC1)OC2",
"role": "assistant"
}
] |
30 | {
"selfies": [],
"smiles": []
} | CCCCCCCC(Cl)CC | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the IUPAC name of a molecule 3-chlorodecane into SMILES representation.",
"role": "user"
},
{
"content": "CCCCCCCC(Cl)CC",
"role": "assistant"
}
] |
31 | {
"selfies": [],
"smiles": []
} | CN(C(=S)OC1=CC=C2C=CC=CC2=C1)C1=CC=CC2=CC=CC=C12 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule with O-naphthalen-2-yl N-methyl-N-naphthalen-1-ylcarbamothioate as the IUPAC name, what is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CN(C(=S)OC1=CC=C2C=CC=CC2=C1)C1=CC=CC2=CC=CC=C12",
"role": "assistant"
}
] |
32 | {
"selfies": [],
"smiles": []
} | CC1=NOC(C(=O)NNCC2=CC=CC=C2)=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES representation for N'-benzyl-3-methyl-1,2-oxazole-5-carbohydrazide ?",
"role": "user"
},
{
"content": "CC1=NOC(C(=O)NNCC2=CC=CC=C2)=C1",
"role": "assistant"
}
] |
33 | {
"selfies": [],
"smiles": []
} | C[Si](Cl)(Cl)CCCC#N | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES notation for 4-[dichloro(methyl)silyl]butanenitrile ?",
"role": "user"
},
{
"content": "C[Si](Cl)(Cl)CCCC#N",
"role": "assistant"
}
] |
34 | {
"selfies": [],
"smiles": []
} | C1=CC=C(C(C2=CC=CC=C2)(C2=CC=CC=C2)N2CCOCC2)C=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please identify the SMILES representation of the molecule named 4-tritylmorpholine .",
"role": "user"
},
{
"content": "C1=CC=C(C(C2=CC=CC=C2)(C2=CC=CC=C2)N2CCOCC2)C=C1",
"role": "assistant"
}
] |
35 | {
"selfies": [],
"smiles": []
} | C=C(CC)CCCC | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the SMILES representation of the molecule 3-methylideneheptane .",
"role": "user"
},
{
"content": "C=C(CC)CCCC",
"role": "assistant"
}
] |
36 | {
"selfies": [],
"smiles": []
} | C=CC(=O)OC(C)(C)C | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule with tert-butyl prop-2-enoate as the IUPAC name, what is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "C=CC(=O)OC(C)(C)C",
"role": "assistant"
}
] |
37 | {
"selfies": [],
"smiles": []
} | NC(=O)CN1C(=O)N(CC(N)=O)C(=O)N(CC(N)=O)C1=O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the SMILES notation of the molecule 2-[3,5-bis(2-amino-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetamide ?",
"role": "user"
},
{
"content": "NC(=O)CN1C(=O)N(CC(N)=O)C(=O)N(CC(N)=O)C1=O",
"role": "assistant"
}
] |
38 | {
"selfies": [],
"smiles": []
} | N#CC1=C(Cl)C(Cl)=C(Cl)C(C#N)=C1Cl | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the SMILES representation of the molecule 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile .",
"role": "user"
},
{
"content": "N#CC1=C(Cl)C(Cl)=C(Cl)C(C#N)=C1Cl",
"role": "assistant"
}
] |
39 | {
"selfies": [],
"smiles": []
} | CC(CCl)OC(=O)NC1=CC=CC(Cl)=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "1-chloropropan-2-yl N-(3-chlorophenyl)carbamate is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
},
{
"content": "CC(CCl)OC(=O)NC1=CC=CC(Cl)=C1",
"role": "assistant"
}
] |
40 | {
"selfies": [],
"smiles": []
} | NC(=O)N[Hg]C1=CC=CC=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the SMILES representation for the molecule (carbamoylamino)-phenylmercury ?",
"role": "user"
},
{
"content": "NC(=O)N[Hg]C1=CC=CC=C1",
"role": "assistant"
}
] |
41 | {
"selfies": [],
"smiles": []
} | CCCC(=O)OCC[N+](C)(C)C;[I-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the SMILES notation of the molecule 2-butanoyloxyethyl(trimethyl)azanium;iodide ?",
"role": "user"
},
{
"content": "CCCC(=O)OCC[N+](C)(C)C;[I-]",
"role": "assistant"
}
] |
42 | {
"selfies": [],
"smiles": []
} | CC1=CC=CC(C)=[N+]1C;[I-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule with 1,2,6-trimethylpyridin-1-ium;iodide as the IUPAC name, what is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC1=CC=CC(C)=[N+]1C;[I-]",
"role": "assistant"
}
] |
43 | {
"selfies": [],
"smiles": []
} | CCN(CC)CCC1=CNC2=CC(F)=CC=C12;Cl | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the SMILES representation for the molecule N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride ?",
"role": "user"
},
{
"content": "CCN(CC)CCC1=CNC2=CC(F)=CC=C12;Cl",
"role": "assistant"
}
] |
44 | {
"selfies": [],
"smiles": []
} | CCOC(C(=O)OC1CC[NH+](CC)C1)(C1=CC=CC=C1)C1=CC=CC=C1;[Cl-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule with (1-ethylpyrrolidin-1-ium-3-yl) 2-ethoxy-2,2-diphenylacetate;chloride as the IUPAC name, what is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCOC(C(=O)OC1CC[NH+](CC)C1)(C1=CC=CC=C1)C1=CC=CC=C1;[Cl-]",
"role": "assistant"
}
] |
45 | {
"selfies": [],
"smiles": []
} | ClC1=CC=C(C2=NC(C3=CC=CC=C3)=NC(C3=CC=CC=C3)=N2)C=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please identify the SMILES representation of the molecule named 2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine .",
"role": "user"
},
{
"content": "ClC1=CC=C(C2=NC(C3=CC=CC=C3)=NC(C3=CC=CC=C3)=N2)C=C1",
"role": "assistant"
}
] |
46 | {
"selfies": [],
"smiles": []
} | NC(CCN1CCCCCC1)=NO | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule with 3-(azepan-1-yl)-N'-hydroxypropanimidamide as the IUPAC name, what is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "NC(CCN1CCCCCC1)=NO",
"role": "assistant"
}
] |
47 | {
"selfies": [],
"smiles": []
} | CCOC1=CC=C(OC2=NC3=CC=CC=C3N2CCN(CC)CC)C=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES representation of the molecule with IUPAC name 2-[2-(4-ethoxyphenoxy)benzimidazol-1-yl]-N,N-diethylethanamine ?",
"role": "user"
},
{
"content": "CCOC1=CC=C(OC2=NC3=CC=CC=C3N2CCN(CC)CC)C=C1",
"role": "assistant"
}
] |
48 | {
"selfies": [],
"smiles": []
} | O=C1C=CN(C2OC(COP(=O)([O-])[O-])C(O)C2O)C(=O)N1;[Na+];[Na+] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "disodium;[(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
},
{
"content": "O=C1C=CN(C2OC(COP(=O)([O-])[O-])C(O)C2O)C(=O)N1;[Na+];[Na+]",
"role": "assistant"
}
] |
49 | {
"selfies": [],
"smiles": []
} | CC(=O)OC1=CC=CC=C1Cl | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the SMILES representation of the molecule (2-chlorophenyl) acetate .",
"role": "user"
},
{
"content": "CC(=O)OC1=CC=CC=C1Cl",
"role": "assistant"
}
] |
50 | {
"selfies": [],
"smiles": []
} | CC(CC1=CNC2=CC=C(SCC3=CC=CC=C3)C=C12)N(C)C | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "1-(5-benzylsulfanyl-1H-indol-3-yl)-N,N-dimethylpropan-2-amine is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
},
{
"content": "CC(CC1=CNC2=CC=C(SCC3=CC=CC=C3)C=C12)N(C)C",
"role": "assistant"
}
] |
51 | {
"selfies": [],
"smiles": []
} | CCN(CC)CCN(C1=CC=CC=C1)C(C)C | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "N,N-diethyl-N'-phenyl-N'-propan-2-ylethane-1,2-diamine is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
},
{
"content": "CCN(CC)CCN(C1=CC=CC=C1)C(C)C",
"role": "assistant"
}
] |
52 | {
"selfies": [],
"smiles": []
} | CCOC(=O)N(CCCl)N=O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES representation of the molecule with IUPAC name ethyl N-(2-chloroethyl)-N-nitrosocarbamate ?",
"role": "user"
},
{
"content": "CCOC(=O)N(CCCl)N=O",
"role": "assistant"
}
] |
53 | {
"selfies": [],
"smiles": []
} | Cl[Fe]Cl | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES notation for dichloroiron ?",
"role": "user"
},
{
"content": "Cl[Fe]Cl",
"role": "assistant"
}
] |
54 | {
"selfies": [],
"smiles": []
} | COC(=O)NC1=CC=CC(OC(=O)NC2=CC=CC(C)=C2)=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please identify the SMILES representation of the molecule named [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate .",
"role": "user"
},
{
"content": "COC(=O)NC1=CC=CC(OC(=O)NC2=CC=CC(C)=C2)=C1",
"role": "assistant"
}
] |
55 | {
"selfies": [],
"smiles": []
} | C[N+](C)(C)CC[N+](C)(C)C1CC2C3=CC=CC=C3C1C1=CC=CC=C12;[I-];[I-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the SMILES representation for the molecule dimethyl-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)-[2-(trimethylazaniumyl)ethyl]azanium;diiodide ?",
"role": "user"
},
{
"content": "C[N+](C)(C)CC[N+](C)(C)C1CC2C3=CC=CC=C3C1C1=CC=CC=C12;[I-];[I-]",
"role": "assistant"
}
] |
56 | {
"selfies": [],
"smiles": []
} | OC1=CC=C2C(C3=CC=C(OCCN4CCCCC4)C=C3)=C(C3=CC=CC=C3)CCC2=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the SMILES representation of the molecule 6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-ol .",
"role": "user"
},
{
"content": "OC1=CC=C2C(C3=CC=C(OCCN4CCCCC4)C=C3)=C(C3=CC=CC=C3)CCC2=C1",
"role": "assistant"
}
] |
57 | {
"selfies": [],
"smiles": []
} | CC(=O)C1=CC=C(NC2OC(CO)C(O)C(O)C2O)C=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "1-[4-[[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]ethanone The above is the IUPAC name of a molecule. Write its SMILES notation.",
"role": "user"
},
{
"content": "CC(=O)C1=CC=C(NC2OC(CO)C(O)C(O)C2O)C=C1",
"role": "assistant"
}
] |
58 | {
"selfies": [],
"smiles": []
} | N#CC(C#N)=CC#CC1=CC=CC=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES representation of the molecule with IUPAC name 2-(3-phenylprop-2-ynylidene)propanedinitrile ?",
"role": "user"
},
{
"content": "N#CC(C#N)=CC#CC1=CC=CC=C1",
"role": "assistant"
}
] |
59 | {
"selfies": [],
"smiles": []
} | C[N+](C)(CCOC1=CC=CC=C1)CC1=CC=CC=C1;[Cl-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule with benzyl-dimethyl-(2-phenoxyethyl)azanium;chloride as the IUPAC name, what is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "C[N+](C)(CCOC1=CC=CC=C1)CC1=CC=CC=C1;[Cl-]",
"role": "assistant"
}
] |
60 | {
"selfies": [],
"smiles": []
} | C=CCC1=CC=C(OC(=O)NC)C(OC)=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Could you provide the SMILES for (2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate ?",
"role": "user"
},
{
"content": "C=CCC1=CC=C(OC(=O)NC)C(OC)=C1",
"role": "assistant"
}
] |
61 | {
"selfies": [],
"smiles": []
} | COC1=CC(N)=CC=C1OCCCCCC1=CC=CC=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the SMILES notation of the molecule 3-methoxy-4-(5-phenylpentoxy)aniline ?",
"role": "user"
},
{
"content": "COC1=CC(N)=CC=C1OCCCCCC1=CC=CC=C1",
"role": "assistant"
}
] |
62 | {
"selfies": [],
"smiles": []
} | CC(C)C(=O)OCC(C)(C)C(OC(=O)C1=CC=CC=C1C(=O)OCC1=CC=CC=C1)C(C)C | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "1-O-benzyl 2-O-[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzene-1,2-dicarboxylate is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
},
{
"content": "CC(C)C(=O)OCC(C)(C)C(OC(=O)C1=CC=CC=C1C(=O)OCC1=CC=CC=C1)C(C)C",
"role": "assistant"
}
] |
63 | {
"selfies": [],
"smiles": []
} | CC[NH+](CC)CCOC1=CC(C(=O)NC2=C(C)C=CC=C2C)=C2C=CC=CC2=N1;[Cl-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES representation of the molecule with IUPAC name 2-[4-[(2,6-dimethylphenyl)carbamoyl]quinolin-2-yl]oxyethyl-diethylazanium;chloride ?",
"role": "user"
},
{
"content": "CC[NH+](CC)CCOC1=CC(C(=O)NC2=C(C)C=CC=C2C)=C2C=CC=CC2=N1;[Cl-]",
"role": "assistant"
}
] |
64 | {
"selfies": [],
"smiles": []
} | CCOCC1=C(O)C=C2C(=O)C3=CC=CC=C3C(=O)C2=C1O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please identify the SMILES representation of the molecule named 2-(ethoxymethyl)-1,3-dihydroxyanthracene-9,10-dione .",
"role": "user"
},
{
"content": "CCOCC1=C(O)C=C2C(=O)C3=CC=CC=C3C(=O)C2=C1O",
"role": "assistant"
}
] |
65 | {
"selfies": [],
"smiles": []
} | COC1=CC=C2C=CC(C)(C)OC2=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "7-methoxy-2,2-dimethylchromene is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
},
{
"content": "COC1=CC=C2C=CC(C)(C)OC2=C1",
"role": "assistant"
}
] |
66 | {
"selfies": [],
"smiles": []
} | CCCCCCCCCCCCCCCCCCCC(=O)OCC | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "ethyl icosanoate The above is the IUPAC name of a molecule. Write its SMILES notation.",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCCCCCCCC(=O)OCC",
"role": "assistant"
}
] |
67 | {
"selfies": [],
"smiles": []
} | CC1=CC=C(C(OCC[NH+](C)C)C2=CC=C(C)C=C2)C=C1;[Cl-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please identify the SMILES representation of the molecule named 2-[bis(4-methylphenyl)methoxy]ethyl-dimethylazanium;chloride .",
"role": "user"
},
{
"content": "CC1=CC=C(C(OCC[NH+](C)C)C2=CC=C(C)C=C2)C=C1;[Cl-]",
"role": "assistant"
}
] |
68 | {
"selfies": [],
"smiles": []
} | CCCC1COC(C(C)C)OC1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES notation for 2-propan-2-yl-5-propyl-1,3-dioxane ?",
"role": "user"
},
{
"content": "CCCC1COC(C(C)C)OC1",
"role": "assistant"
}
] |
69 | {
"selfies": [],
"smiles": []
} | CS(=O)(=O)OCCO | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "2-hydroxyethyl methanesulfonate The above is the IUPAC name of a molecule. Write its SMILES notation.",
"role": "user"
},
{
"content": "CS(=O)(=O)OCCO",
"role": "assistant"
}
] |
70 | {
"selfies": [],
"smiles": []
} | CCOC(=O)C(C)(CCOC)C(=O)OCC | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES representation for diethyl 2-(2-methoxyethyl)-2-methylpropanedioate ?",
"role": "user"
},
{
"content": "CCOC(=O)C(C)(CCOC)C(=O)OCC",
"role": "assistant"
}
] |
71 | {
"selfies": [],
"smiles": []
} | C[N+](C)(C)CCCCC(N)=O;[Br-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the SMILES representation for the molecule (5-amino-5-oxopentyl)-trimethylazanium;bromide ?",
"role": "user"
},
{
"content": "C[N+](C)(C)CCCCC(N)=O;[Br-]",
"role": "assistant"
}
] |
72 | {
"selfies": [],
"smiles": []
} | CCSCC(N)C(=O)O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES notation for 2-amino-3-ethylsulfanylpropanoic acid ?",
"role": "user"
},
{
"content": "CCSCC(N)C(=O)O",
"role": "assistant"
}
] |
73 | {
"selfies": [],
"smiles": []
} | CCCCCCCCC=O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule with nonanal as the IUPAC name, what is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCCCCCCCC=O",
"role": "assistant"
}
] |
74 | {
"selfies": [],
"smiles": []
} | COCC[Hg+];[O-][Si](O)(O)O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please identify the SMILES representation of the molecule named 2-methoxyethylmercury(1+);trihydroxy(oxido)silane .",
"role": "user"
},
{
"content": "COCC[Hg+];[O-][Si](O)(O)O",
"role": "assistant"
}
] |
75 | {
"selfies": [],
"smiles": []
} | CCC(O)C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C1=CC=CC=C1;[Cl-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "(5-hydroxy-4,4-diphenylheptan-2-yl)-dimethylazanium;chloride is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
},
{
"content": "CCC(O)C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C1=CC=CC=C1;[Cl-]",
"role": "assistant"
}
] |
76 | {
"selfies": [],
"smiles": []
} | CCN1CCC(=C(C2=CC=CC=C2)C2=CC=CC=C2)C1;Cl | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES representation of the molecule with IUPAC name 3-benzhydrylidene-1-ethylpyrrolidine;hydrochloride ?",
"role": "user"
},
{
"content": "CCN1CCC(=C(C2=CC=CC=C2)C2=CC=CC=C2)C1;Cl",
"role": "assistant"
}
] |
77 | {
"selfies": [],
"smiles": []
} | O=[Mn](=O)(=O)[O-];O=[Mn](=O)(=O)[O-];[Zn+2] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES notation for zinc;dipermanganate ?",
"role": "user"
},
{
"content": "O=[Mn](=O)(=O)[O-];O=[Mn](=O)(=O)[O-];[Zn+2]",
"role": "assistant"
}
] |
78 | {
"selfies": [],
"smiles": []
} | COC1=CC=CC=C1N1CCN(C(=O)CC(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)CC1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the SMILES representation of the molecule 3-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one .",
"role": "user"
},
{
"content": "COC1=CC=CC=C1N1CCN(C(=O)CC(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)CC1",
"role": "assistant"
}
] |
79 | {
"selfies": [],
"smiles": []
} | CNC1=CC=CC2=C(OC)C(OC)=CC=C12 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please identify the SMILES representation of the molecule named 5,6-dimethoxy-N-methylnaphthalen-1-amine .",
"role": "user"
},
{
"content": "CNC1=CC=CC2=C(OC)C(OC)=CC=C12",
"role": "assistant"
}
] |
80 | {
"selfies": [],
"smiles": []
} | CCCC[As](SC1=CC=CC=C1)C1=CC=CC=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "butyl-phenyl-phenylsulfanylarsane The above is the IUPAC name of a molecule. Write its SMILES notation.",
"role": "user"
},
{
"content": "CCCC[As](SC1=CC=CC=C1)C1=CC=CC=C1",
"role": "assistant"
}
] |
81 | {
"selfies": [],
"smiles": []
} | CCCN(CCC)C1=NC(C(Cl)(Cl)Cl)=NC(C(Cl)(Cl)Cl)=N1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please identify the SMILES representation of the molecule named N,N-dipropyl-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine .",
"role": "user"
},
{
"content": "CCCN(CCC)C1=NC(C(Cl)(Cl)Cl)=NC(C(Cl)(Cl)Cl)=N1",
"role": "assistant"
}
] |
82 | {
"selfies": [],
"smiles": []
} | CCCCC(=O)C=C(C)OC | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please identify the SMILES representation of the molecule named 2-methoxyoct-2-en-4-one .",
"role": "user"
},
{
"content": "CCCCC(=O)C=C(C)OC",
"role": "assistant"
}
] |
83 | {
"selfies": [],
"smiles": []
} | CCN(CC)C(=O)CC(O)C(Cl)(Cl)Cl | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES representation for 4,4,4-trichloro-N,N-diethyl-3-hydroxybutanamide ?",
"role": "user"
},
{
"content": "CCN(CC)C(=O)CC(O)C(Cl)(Cl)Cl",
"role": "assistant"
}
] |
84 | {
"selfies": [],
"smiles": []
} | C[NH2+]C1CCCC2=C(OC)C=CC(Cl)=C21;[Cl-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the SMILES representation of the molecule [(1S)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium;chloride .",
"role": "user"
},
{
"content": "C[NH2+]C1CCCC2=C(OC)C=CC(Cl)=C21;[Cl-]",
"role": "assistant"
}
] |
85 | {
"selfies": [],
"smiles": []
} | [N-]=[N+]=CC1=NC(N)=NC(N)=N1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Could you provide the SMILES for 6-(diazomethyl)-1,3,5-triazine-2,4-diamine ?",
"role": "user"
},
{
"content": "[N-]=[N+]=CC1=NC(N)=NC(N)=N1",
"role": "assistant"
}
] |
86 | {
"selfies": [],
"smiles": []
} | CSC(SC)C1=NC(C)=NC(C(Cl)Cl)=N1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "2-[bis(methylsulfanyl)methyl]-4-(dichloromethyl)-6-methyl-1,3,5-triazine The above is the IUPAC name of a molecule. Write its SMILES notation.",
"role": "user"
},
{
"content": "CSC(SC)C1=NC(C)=NC(C(Cl)Cl)=N1",
"role": "assistant"
}
] |
87 | {
"selfies": [],
"smiles": []
} | O=C(C=CC1=CC=CC=C1)NCCCl | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "N-(2-chloroethyl)-3-phenylprop-2-enamide is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
},
{
"content": "O=C(C=CC1=CC=CC=C1)NCCCl",
"role": "assistant"
}
] |
88 | {
"selfies": [],
"smiles": []
} | CCCCOC1=NC(C)=NC(C(Cl)(Cl)Cl)=N1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the IUPAC name of a molecule 2-butoxy-4-methyl-6-(trichloromethyl)-1,3,5-triazine into SMILES representation.",
"role": "user"
},
{
"content": "CCCCOC1=NC(C)=NC(C(Cl)(Cl)Cl)=N1",
"role": "assistant"
}
] |
89 | {
"selfies": [],
"smiles": []
} | COC1=CC=CC=C1OCC(=O)OCCC1C[NH2+]CCO1;[Cl-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you tell me the SMILES representation for the molecule 2-morpholin-4-ium-2-ylethyl 2-(2-methoxyphenoxy)acetate;chloride ?",
"role": "user"
},
{
"content": "COC1=CC=CC=C1OCC(=O)OCCC1C[NH2+]CCO1;[Cl-]",
"role": "assistant"
}
] |
90 | {
"selfies": [],
"smiles": []
} | [Cl-];[NH3+]C1CCCOC2=CC(Cl)=CC=C21 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule with (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium;chloride as the IUPAC name, what is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "[Cl-];[NH3+]C1CCCOC2=CC(Cl)=CC=C21",
"role": "assistant"
}
] |
91 | {
"selfies": [],
"smiles": []
} | C=C(C)CNCCC1=C(C)NC2=CC=C(OC)C(C)=C12 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES representation for N-[2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-methylprop-2-en-1-amine ?",
"role": "user"
},
{
"content": "C=C(C)CNCCC1=C(C)NC2=CC=C(OC)C(C)=C12",
"role": "assistant"
}
] |
92 | {
"selfies": [],
"smiles": []
} | CCCCCCOC1=CC=C(NC(=O)OC2CCCCC2[NH+]2CCCCC2)C=C1;[Cl-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES notation for [(1S,2S)-2-piperidin-1-ium-1-ylcyclohexyl] N-(4-hexoxyphenyl)carbamate;chloride ?",
"role": "user"
},
{
"content": "CCCCCCOC1=CC=C(NC(=O)OC2CCCCC2[NH+]2CCCCC2)C=C1;[Cl-]",
"role": "assistant"
}
] |
93 | {
"selfies": [],
"smiles": []
} | COC1=CC(C=CC(=O)N2CCCO2)=CC(OC)=C1OC | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the SMILES notation of the molecule 1-(1,2-oxazolidin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one ?",
"role": "user"
},
{
"content": "COC1=CC(C=CC(=O)N2CCCO2)=CC(OC)=C1OC",
"role": "assistant"
}
] |
94 | {
"selfies": [],
"smiles": []
} | CC1=CC(N(C)C)=C2N=CN=C2C2=C1N(C)C(N)=N2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES notation for 9-N,9-N,5,7-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene-4,9-diamine ?",
"role": "user"
},
{
"content": "CC1=CC(N(C)C)=C2N=CN=C2C2=C1N(C)C(N)=N2",
"role": "assistant"
}
] |
95 | {
"selfies": [],
"smiles": []
} | COC1=C(C(O)CCC2=CC=CC=C2)C(OCC[NH+](C)C)=C(OC)C2=C1C=CO2;O=C([O-])C(=O)O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the IUPAC name of a molecule 2-hydroxy-2-oxoacetate;2-[[5-(1-hydroxy-3-phenylpropyl)-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium into SMILES representation.",
"role": "user"
},
{
"content": "COC1=C(C(O)CCC2=CC=CC=C2)C(OCC[NH+](C)C)=C(OC)C2=C1C=CO2;O=C([O-])C(=O)O",
"role": "assistant"
}
] |
96 | {
"selfies": [],
"smiles": []
} | O=C(C1=CC=CC=C1)N(O)CN1CCOCC1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the SMILES notation for N-hydroxy-N-(morpholin-4-ylmethyl)benzamide ?",
"role": "user"
},
{
"content": "O=C(C1=CC=CC=C1)N(O)CN1CCOCC1",
"role": "assistant"
}
] |
97 | {
"selfies": [],
"smiles": []
} | CC1=CC=CC2=C1C(=O)N(C)C(C)C2C1=CC=CC=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "(3S,4R)-2,3,8-trimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
},
{
"content": "CC1=CC=CC2=C1C(=O)N(C)C(C)C2C1=CC=CC=C1",
"role": "assistant"
}
] |
98 | {
"selfies": [],
"smiles": []
} | CCC1(C)COC(=O)C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the SMILES notation of the molecule 4-ethyl-4-methyloxolan-2-one ?",
"role": "user"
},
{
"content": "CCC1(C)COC(=O)C1",
"role": "assistant"
}
] |
99 | {
"selfies": [],
"smiles": []
} | CC[N+](CC)(CC)CCCC#CC(O)C1=CC=CC=C1;[I-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule with triethyl-(6-hydroxy-6-phenylhex-4-ynyl)azanium;iodide as the IUPAC name, what is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC[N+](CC)(CC)CCCC#CC(O)C1=CC=CC=C1;[I-]",
"role": "assistant"
}
] |