id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 2
33
| messages
listlengths 3
3
|
|---|---|---|---|
100 | {
"selfies": [],
"smiles": []
} | C19H27NO4 | [
{
"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 diethyl 2-phenyl-2-(piperidin-1-ylmethyl)propanedioate into molecular formula.",
"role": "user"
},
{
"content": "C19H27NO4",
"role": "assistant"
}
] |
101 | {
"selfies": [],
"smiles": []
} | C8H9ClN2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule [cyano(phenyl)methyl]azanium;chloride ?",
"role": "user"
},
{
"content": "C8H9ClN2",
"role": "assistant"
}
] |
102 | {
"selfies": [],
"smiles": []
} | C8H14O | [
{
"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 2,4,4-trimethylpent-2-enal into molecular formula.",
"role": "user"
},
{
"content": "C8H14O",
"role": "assistant"
}
] |
103 | {
"selfies": [],
"smiles": []
} | C21H32ClNO9 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "4-chloropentyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium;2-hydroxy-2-oxoacetate is the IUPAC name of a molecule. Please give its molecular formula.",
"role": "user"
},
{
"content": "C21H32ClNO9",
"role": "assistant"
}
] |
104 | {
"selfies": [],
"smiles": []
} | C16H22N2O4S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-morpholin-4-ylsulfanylcarbamate is the IUPAC name of a molecule. Please give its molecular formula.",
"role": "user"
},
{
"content": "C16H22N2O4S",
"role": "assistant"
}
] |
105 | {
"selfies": [],
"smiles": []
} | C14H16N2O4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule identified by ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3H-phthalazine-6-carboxylate ?",
"role": "user"
},
{
"content": "C14H16N2O4",
"role": "assistant"
}
] |
106 | {
"selfies": [],
"smiles": []
} | C13H20O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the chemical IUPAC name 4a,5,5-trimethyl-1,3,4,7,8,8a-hexahydronaphthalene-2,6-dione into its molecular formula.",
"role": "user"
},
{
"content": "C13H20O2",
"role": "assistant"
}
] |
107 | {
"selfies": [],
"smiles": []
} | C13H13NO | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the compound with this IUPAC name 1-(1-prop-2-ynoxyethyl)indole ?",
"role": "user"
},
{
"content": "C13H13NO",
"role": "assistant"
}
] |
108 | {
"selfies": [],
"smiles": []
} | C9H10N2O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the molecular formula of the molecule (3-methylphenyl) N-methyl-N-nitrosocarbamate .",
"role": "user"
},
{
"content": "C9H10N2O3",
"role": "assistant"
}
] |
109 | {
"selfies": [],
"smiles": []
} | C21H25NO3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule named [2,4-dimethoxy-3-(piperidin-1-ylmethyl)phenyl]-phenylmethanone by IUPAC nomenclature, provide its molecular formula.",
"role": "user"
},
{
"content": "C21H25NO3",
"role": "assistant"
}
] |
110 | {
"selfies": [],
"smiles": []
} | C14H14N2O6 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule identified by 2-methyl-4-nitrophenol;3-methyl-4-nitrophenol ?",
"role": "user"
},
{
"content": "C14H14N2O6",
"role": "assistant"
}
] |
111 | {
"selfies": [],
"smiles": []
} | C21H23Cl2N3O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the molecular formula for the IUPAC named substance N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide .",
"role": "user"
},
{
"content": "C21H23Cl2N3O3",
"role": "assistant"
}
] |
112 | {
"selfies": [],
"smiles": []
} | C14H17N3O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Name the molecular formula for the molecule established as 3-amino-4-(4-methylpiperazin-1-yl)chromen-2-one using the IUPAC nomenclature.",
"role": "user"
},
{
"content": "C14H17N3O2",
"role": "assistant"
}
] |
113 | {
"selfies": [],
"smiles": []
} | C8H6Cl2O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Name the molecular formula for the molecule established as 2,2-dichloro-2-phenylacetic acid using the IUPAC nomenclature.",
"role": "user"
},
{
"content": "C8H6Cl2O2",
"role": "assistant"
}
] |
114 | {
"selfies": [],
"smiles": []
} | C16H14F2N2O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the chemical IUPAC name 3-fluoro-2-[2-[(2-fluoro-6-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol into its molecular formula.",
"role": "user"
},
{
"content": "C16H14F2N2O2",
"role": "assistant"
}
] |
115 | {
"selfies": [],
"smiles": []
} | C10H10N2OS2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Name the molecular formula for the molecule established as N-(1,3-dithiolan-2-ylideneamino)benzamide using the IUPAC nomenclature.",
"role": "user"
},
{
"content": "C10H10N2OS2",
"role": "assistant"
}
] |
116 | {
"selfies": [],
"smiles": []
} | C9H20Cl3NS2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the chemical IUPAC name bis[2-(2-chloroethylsulfanyl)ethyl]-methylazanium;chloride into its molecular formula.",
"role": "user"
},
{
"content": "C9H20Cl3NS2",
"role": "assistant"
}
] |
117 | {
"selfies": [],
"smiles": []
} | C24H30ClNO6 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "1-[2-(4-chlorophenyl)ethyl]-6,7-diethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;2-hydroxy-2-oxoacetate The above is the IUPAC name of a molecule. Write its molecular formula.",
"role": "user"
},
{
"content": "C24H30ClNO6",
"role": "assistant"
}
] |
118 | {
"selfies": [],
"smiles": []
} | C10H16IN3O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular formula of the molecule [3-(carbamoylamino)phenyl]-trimethylazanium;iodide ?",
"role": "user"
},
{
"content": "C10H16IN3O",
"role": "assistant"
}
] |
119 | {
"selfies": [],
"smiles": []
} | C21H36N2O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the chemical IUPAC name 1-(diethylamino)propan-2-yl N-(4-hexoxy-2-methylphenyl)carbamate into its molecular formula.",
"role": "user"
},
{
"content": "C21H36N2O3",
"role": "assistant"
}
] |
120 | {
"selfies": [],
"smiles": []
} | C13H21N2O3+ | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "[4-(dimethylcarbamoyloxy)phenyl]-(2-hydroxyethyl)-dimethylazanium The above is the IUPAC name of a molecule. Write its molecular formula.",
"role": "user"
},
{
"content": "C13H21N2O3+",
"role": "assistant"
}
] |
121 | {
"selfies": [],
"smiles": []
} | C20H23ClN2O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Under IUPAC nomenclature, a molecule named 2-piperidin-1-ium-1-ylethyl carbazole-9-carboxylate;chloride is given. What is its corresponding molecular formula?",
"role": "user"
},
{
"content": "C20H23ClN2O2",
"role": "assistant"
}
] |
122 | {
"selfies": [],
"smiles": []
} | C8H15NO2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule identified by N-acetyl-N-tert-butylacetamide ?",
"role": "user"
},
{
"content": "C8H15NO2",
"role": "assistant"
}
] |
123 | {
"selfies": [],
"smiles": []
} | C13H22BrN | [
{
"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 1-(2-bromo-1-adamantyl)-N,N-dimethylmethanamine into molecular formula.",
"role": "user"
},
{
"content": "C13H22BrN",
"role": "assistant"
}
] |
124 | {
"selfies": [],
"smiles": []
} | C22H16O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the compound with this IUPAC name (11S)-10,11-dihydrobenzo[b]triphenylene-10,11-diol ?",
"role": "user"
},
{
"content": "C22H16O2",
"role": "assistant"
}
] |
125 | {
"selfies": [],
"smiles": []
} | C19H33ClN2O2 | [
{
"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-(4-aminobenzoyl)oxypropyl-nonan-5-ylazanium;chloride into molecular formula.",
"role": "user"
},
{
"content": "C19H33ClN2O2",
"role": "assistant"
}
] |
126 | {
"selfies": [],
"smiles": []
} | C26H23F2NO4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule [cyano-(3-phenoxyphenyl)methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate ?",
"role": "user"
},
{
"content": "C26H23F2NO4",
"role": "assistant"
}
] |
127 | {
"selfies": [],
"smiles": []
} | C11H18NO+ | [
{
"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-methoxyphenyl)methyl-trimethylazanium into molecular formula.",
"role": "user"
},
{
"content": "C11H18NO+",
"role": "assistant"
}
] |
128 | {
"selfies": [],
"smiles": []
} | C8H4Cl4 | [
{
"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 1,2,3,4-tetrachloro-5-ethenylbenzene into molecular formula.",
"role": "user"
},
{
"content": "C8H4Cl4",
"role": "assistant"
}
] |
129 | {
"selfies": [],
"smiles": []
} | C26H48INO3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the compound with this IUPAC name (5-hydroxy-4-oxopyran-2-yl)methyl-dimethyl-octadecylazanium;iodide ?",
"role": "user"
},
{
"content": "C26H48INO3",
"role": "assistant"
}
] |
130 | {
"selfies": [],
"smiles": []
} | C8H8INO3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular formula of the molecule 4-(hydroxyiminomethyl)-2-iodo-6-methoxyphenol ?",
"role": "user"
},
{
"content": "C8H8INO3",
"role": "assistant"
}
] |
131 | {
"selfies": [],
"smiles": []
} | C21H24F3NO2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 3-phenylpropanoate ?",
"role": "user"
},
{
"content": "C21H24F3NO2",
"role": "assistant"
}
] |
132 | {
"selfies": [],
"smiles": []
} | C15H24N2O5 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the molecular formula of the molecule 2-[2-hydroxyethyl-[[4-(2-methylpropoxy)-3-nitrophenyl]methyl]amino]ethanol .",
"role": "user"
},
{
"content": "C15H24N2O5",
"role": "assistant"
}
] |
133 | {
"selfies": [],
"smiles": []
} | C17H31NO4P+ | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular formula of the molecule [3-di(butan-2-yloxy)phosphoryloxyphenyl]-trimethylazanium ?",
"role": "user"
},
{
"content": "C17H31NO4P+",
"role": "assistant"
}
] |
134 | {
"selfies": [],
"smiles": []
} | C13H20N2O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule 2-[2-(dimethylamino)ethoxy]ethyl 4-aminobenzoate ?",
"role": "user"
},
{
"content": "C13H20N2O3",
"role": "assistant"
}
] |
135 | {
"selfies": [],
"smiles": []
} | C11H12N2O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular formula of the molecule 4-(3-methyl-1,3-oxazolidin-2-yl)benzonitrile ?",
"role": "user"
},
{
"content": "C11H12N2O",
"role": "assistant"
}
] |
136 | {
"selfies": [],
"smiles": []
} | C20H24N2O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "4-[3-(4-phenylpiperazin-1-yl)propoxy]benzaldehyde The above is the IUPAC name of a molecule. Write its molecular formula.",
"role": "user"
},
{
"content": "C20H24N2O2",
"role": "assistant"
}
] |
137 | {
"selfies": [],
"smiles": []
} | C17H23NO5 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Under IUPAC nomenclature, a molecule named 1-azabicyclo[2.2.2]octan-3-yl 3,4,5-trimethoxybenzoate is given. What is its corresponding molecular formula?",
"role": "user"
},
{
"content": "C17H23NO5",
"role": "assistant"
}
] |
138 | {
"selfies": [],
"smiles": []
} | C7H16N2O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular formula of the molecule 2-[2-(dimethylamino)ethylamino]propanoic acid ?",
"role": "user"
},
{
"content": "C7H16N2O2",
"role": "assistant"
}
] |
139 | {
"selfies": [],
"smiles": []
} | C21H29NO3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular formula of the molecule (1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate ?",
"role": "user"
},
{
"content": "C21H29NO3",
"role": "assistant"
}
] |
140 | {
"selfies": [],
"smiles": []
} | C10H16N2O3S2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the molecular formula of the molecule (1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate ?",
"role": "user"
},
{
"content": "C10H16N2O3S2",
"role": "assistant"
}
] |
141 | {
"selfies": [],
"smiles": []
} | C24H23N3O5 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Under IUPAC nomenclature, a molecule named N-[(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide is given. What is its corresponding molecular formula?",
"role": "user"
},
{
"content": "C24H23N3O5",
"role": "assistant"
}
] |
142 | {
"selfies": [],
"smiles": []
} | C18H29ClN2O3 | [
{
"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-3-pyrrolidin-1-ium-1-ylpropyl) 4-(butylamino)benzoate;chloride into molecular formula.",
"role": "user"
},
{
"content": "C18H29ClN2O3",
"role": "assistant"
}
] |
143 | {
"selfies": [],
"smiles": []
} | C16H18O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the molecular formula for the IUPAC named substance 4-prop-2-enoxy-3,5-bis(prop-2-enyl)benzoic acid .",
"role": "user"
},
{
"content": "C16H18O3",
"role": "assistant"
}
] |
144 | {
"selfies": [],
"smiles": []
} | C16H20N2O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the molecular formula of the molecule 2-(1-butylindol-3-yl)-N,N-dimethyl-2-oxoacetamide .",
"role": "user"
},
{
"content": "C16H20N2O2",
"role": "assistant"
}
] |
145 | {
"selfies": [],
"smiles": []
} | C6H4N4O3S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule named 3-(5-nitro-1,3-thiazol-2-yl)-4H-imidazol-2-one by IUPAC nomenclature, provide its molecular formula.",
"role": "user"
},
{
"content": "C6H4N4O3S",
"role": "assistant"
}
] |
146 | {
"selfies": [],
"smiles": []
} | C21H32ClNO3 | [
{
"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-(2,2-dimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate;chloride into molecular formula.",
"role": "user"
},
{
"content": "C21H32ClNO3",
"role": "assistant"
}
] |
147 | {
"selfies": [],
"smiles": []
} | C20H29NO3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the chemical IUPAC name (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-3-methyl-2-phenylbut-3-enoate into its molecular formula.",
"role": "user"
},
{
"content": "C20H29NO3",
"role": "assistant"
}
] |
148 | {
"selfies": [],
"smiles": []
} | C18H21NO3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the chemical IUPAC name 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-ynoate into its molecular formula.",
"role": "user"
},
{
"content": "C18H21NO3",
"role": "assistant"
}
] |
149 | {
"selfies": [],
"smiles": []
} | C12H20Cl2N2O6 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule diethyl 2-[bis(2-chloroethyl)aminomethyl]-2-nitropropanedioate ?",
"role": "user"
},
{
"content": "C12H20Cl2N2O6",
"role": "assistant"
}
] |
150 | {
"selfies": [],
"smiles": []
} | C15H24N2OS | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Name the molecular formula for the molecule established as 2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide using the IUPAC nomenclature.",
"role": "user"
},
{
"content": "C15H24N2OS",
"role": "assistant"
}
] |
151 | {
"selfies": [],
"smiles": []
} | C15H33N3+2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the compound with this IUPAC name 3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl-trimethylazanium ?",
"role": "user"
},
{
"content": "C15H33N3+2",
"role": "assistant"
}
] |
152 | {
"selfies": [],
"smiles": []
} | C22H31N3O5S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule 5-tert-butyl-3-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid ?",
"role": "user"
},
{
"content": "C22H31N3O5S",
"role": "assistant"
}
] |
153 | {
"selfies": [],
"smiles": []
} | C36H49N5O8S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Name the molecular formula for the molecule established as (2S)-1-[(2S)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide;sulfuric acid using the IUPAC nomenclature.",
"role": "user"
},
{
"content": "C36H49N5O8S",
"role": "assistant"
}
] |
154 | {
"selfies": [],
"smiles": []
} | C6H12N2O5 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the chemical IUPAC name 2-[[2-(carboxymethylamino)-2-hydroxyethyl]amino]acetic acid into its molecular formula.",
"role": "user"
},
{
"content": "C6H12N2O5",
"role": "assistant"
}
] |
155 | {
"selfies": [],
"smiles": []
} | C7H9Cl2N | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Under IUPAC nomenclature, a molecule named 3-chloro-4-methylaniline;hydrochloride is given. What is its corresponding molecular formula?",
"role": "user"
},
{
"content": "C7H9Cl2N",
"role": "assistant"
}
] |
156 | {
"selfies": [],
"smiles": []
} | C9H20O3 | [
{
"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-(2-butoxyethoxy)propan-1-ol into molecular formula.",
"role": "user"
},
{
"content": "C9H20O3",
"role": "assistant"
}
] |
157 | {
"selfies": [],
"smiles": []
} | C17H23N3O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "2-methyl-3-(3-piperidin-1-ylpropyl)quinazolin-4-one The above is the IUPAC name of a molecule. Write its molecular formula.",
"role": "user"
},
{
"content": "C17H23N3O",
"role": "assistant"
}
] |
158 | {
"selfies": [],
"smiles": []
} | C16H14FN3O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule 6-amino-2-(fluoromethyl)-3-(3-hydroxy-2-methylphenyl)quinazolin-4-one ?",
"role": "user"
},
{
"content": "C16H14FN3O2",
"role": "assistant"
}
] |
159 | {
"selfies": [],
"smiles": []
} | C18H24N2O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the molecular formula of the molecule N-[2-(1-adamantyl)ethyl]pyridine-2-carboxamide .",
"role": "user"
},
{
"content": "C18H24N2O",
"role": "assistant"
}
] |
160 | {
"selfies": [],
"smiles": []
} | C26H36N2O5 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Name the molecular formula for the molecule established as 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one using the IUPAC nomenclature.",
"role": "user"
},
{
"content": "C26H36N2O5",
"role": "assistant"
}
] |
161 | {
"selfies": [],
"smiles": []
} | C5H6N4O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule named 1H-imidazole-4,5-dicarboxamide by IUPAC nomenclature, provide its molecular formula.",
"role": "user"
},
{
"content": "C5H6N4O2",
"role": "assistant"
}
] |
162 | {
"selfies": [],
"smiles": []
} | C11H14N4O2S2 | [
{
"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 4-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide into molecular formula.",
"role": "user"
},
{
"content": "C11H14N4O2S2",
"role": "assistant"
}
] |
163 | {
"selfies": [],
"smiles": []
} | C6H4N2O4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the compound with this IUPAC name pyrazine-2,3-dicarboxylic acid ?",
"role": "user"
},
{
"content": "C6H4N2O4",
"role": "assistant"
}
] |
164 | {
"selfies": [],
"smiles": []
} | C6H11NO | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule 3-propan-2-yloxypropanenitrile ?",
"role": "user"
},
{
"content": "C6H11NO",
"role": "assistant"
}
] |
165 | {
"selfies": [],
"smiles": []
} | C17H12N2O7S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "4-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid is the IUPAC name of a molecule. Please give its molecular formula.",
"role": "user"
},
{
"content": "C17H12N2O7S",
"role": "assistant"
}
] |
166 | {
"selfies": [],
"smiles": []
} | C13H9N3O5 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the molecular formula of the molecule 4-nitro-N-(3-nitrophenyl)benzamide .",
"role": "user"
},
{
"content": "C13H9N3O5",
"role": "assistant"
}
] |
167 | {
"selfies": [],
"smiles": []
} | C3F5N | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule identified by 2,2,3,3,3-pentafluoropropanenitrile ?",
"role": "user"
},
{
"content": "C3F5N",
"role": "assistant"
}
] |
168 | {
"selfies": [],
"smiles": []
} | C9H10O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Under IUPAC nomenclature, a molecule named 3-ethoxy-2-hydroxybenzaldehyde is given. What is its corresponding molecular formula?",
"role": "user"
},
{
"content": "C9H10O3",
"role": "assistant"
}
] |
169 | {
"selfies": [],
"smiles": []
} | C23H33N3O6S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the compound with this IUPAC name 2-(diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate ?",
"role": "user"
},
{
"content": "C23H33N3O6S",
"role": "assistant"
}
] |
170 | {
"selfies": [],
"smiles": []
} | C6H4O4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule identified by 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione ?",
"role": "user"
},
{
"content": "C6H4O4",
"role": "assistant"
}
] |
171 | {
"selfies": [],
"smiles": []
} | C8H8 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule identified by bicyclo[4.2.0]octa-1,3,5-triene ?",
"role": "user"
},
{
"content": "C8H8",
"role": "assistant"
}
] |
172 | {
"selfies": [],
"smiles": []
} | C2H4ClFO2S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the molecular formula of the molecule 2-fluoroethanesulfonyl chloride .",
"role": "user"
},
{
"content": "C2H4ClFO2S",
"role": "assistant"
}
] |
173 | {
"selfies": [],
"smiles": []
} | C7H10Si | [
{
"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 methyl(phenyl)silane into molecular formula.",
"role": "user"
},
{
"content": "C7H10Si",
"role": "assistant"
}
] |
174 | {
"selfies": [],
"smiles": []
} | C5H12N2O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the chemical IUPAC name tert-butyl N-aminocarbamate into its molecular formula.",
"role": "user"
},
{
"content": "C5H12N2O2",
"role": "assistant"
}
] |
175 | {
"selfies": [],
"smiles": []
} | C8H10N2O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Under IUPAC nomenclature, a molecule named 2-phenylacetohydrazide is given. What is its corresponding molecular formula?",
"role": "user"
},
{
"content": "C8H10N2O",
"role": "assistant"
}
] |
176 | {
"selfies": [],
"smiles": []
} | C26H26Si2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the molecular formula for the IUPAC named substance methyl-[methyl(diphenyl)silyl]-diphenylsilane .",
"role": "user"
},
{
"content": "C26H26Si2",
"role": "assistant"
}
] |
177 | {
"selfies": [],
"smiles": []
} | C22H22N2O5S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the compound with this IUPAC name (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxy-2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ?",
"role": "user"
},
{
"content": "C22H22N2O5S",
"role": "assistant"
}
] |
178 | {
"selfies": [],
"smiles": []
} | C18H22N2O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the compound with this IUPAC name 1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol ?",
"role": "user"
},
{
"content": "C18H22N2O2",
"role": "assistant"
}
] |
179 | {
"selfies": [],
"smiles": []
} | C10H14N2O5 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule identified by 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione ?",
"role": "user"
},
{
"content": "C10H14N2O5",
"role": "assistant"
}
] |
180 | {
"selfies": [],
"smiles": []
} | C30H41N7O6 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Under IUPAC nomenclature, a molecule named (2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid is given. What is its corresponding molecular formula?",
"role": "user"
},
{
"content": "C30H41N7O6",
"role": "assistant"
}
] |
181 | {
"selfies": [],
"smiles": []
} | C7H9FN2O4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Under IUPAC nomenclature, a molecule named 5-fluoro-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione is given. What is its corresponding molecular formula?",
"role": "user"
},
{
"content": "C7H9FN2O4",
"role": "assistant"
}
] |
182 | {
"selfies": [],
"smiles": []
} | C22H22CaN2O9 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "calcium;(4S,4aR,5S,6S,12aR)-2-carbamoyl-4-(dimethylamino)-5,6,10,12a-tetrahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-1,11-diolate The above is the IUPAC name of a molecule. Write its molecular formula.",
"role": "user"
},
{
"content": "C22H22CaN2O9",
"role": "assistant"
}
] |
183 | {
"selfies": [],
"smiles": []
} | C15H20O2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the molecular formula of the molecule (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one .",
"role": "user"
},
{
"content": "C15H20O2",
"role": "assistant"
}
] |
184 | {
"selfies": [],
"smiles": []
} | C8H6N2O2 | [
{
"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 5-aminoisoindole-1,3-dione into molecular formula.",
"role": "user"
},
{
"content": "C8H6N2O2",
"role": "assistant"
}
] |
185 | {
"selfies": [],
"smiles": []
} | C28H34O15 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one is the IUPAC name of a molecule. Please give its molecular formula.",
"role": "user"
},
{
"content": "C28H34O15",
"role": "assistant"
}
] |
186 | {
"selfies": [],
"smiles": []
} | C5H8N2O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule identified by morpholine-4-carbonitrile ?",
"role": "user"
},
{
"content": "C5H8N2O",
"role": "assistant"
}
] |
187 | {
"selfies": [],
"smiles": []
} | CHCl5Si | [
{
"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 trichloro(dichloromethyl)silane into molecular formula.",
"role": "user"
},
{
"content": "CHCl5Si",
"role": "assistant"
}
] |
188 | {
"selfies": [],
"smiles": []
} | C6H9ClO3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule named methyl 5-chloro-5-oxopentanoate by IUPAC nomenclature, provide its molecular formula.",
"role": "user"
},
{
"content": "C6H9ClO3",
"role": "assistant"
}
] |
189 | {
"selfies": [],
"smiles": []
} | C16H12S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "2,5-diphenylthiophene The above is the IUPAC name of a molecule. Write its molecular formula.",
"role": "user"
},
{
"content": "C16H12S",
"role": "assistant"
}
] |
190 | {
"selfies": [],
"smiles": []
} | C5H8N2O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "2-imidazol-1-ylethanol is the IUPAC name of a molecule. Please give its molecular formula.",
"role": "user"
},
{
"content": "C5H8N2O",
"role": "assistant"
}
] |
191 | {
"selfies": [],
"smiles": []
} | C18H28O4Si4 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "2,2,4,4,6,6-hexamethyl-8,8-diphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane The above is the IUPAC name of a molecule. Write its molecular formula.",
"role": "user"
},
{
"content": "C18H28O4Si4",
"role": "assistant"
}
] |
192 | {
"selfies": [],
"smiles": []
} | C6H14OSi | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the compound with this IUPAC name trimethyl(prop-1-en-2-yloxy)silane ?",
"role": "user"
},
{
"content": "C6H14OSi",
"role": "assistant"
}
] |
193 | {
"selfies": [],
"smiles": []
} | C5H14BrNO | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the molecular formula for the IUPAC named substance 2-hydroxyethyl(trimethyl)azanium;bromide .",
"role": "user"
},
{
"content": "C5H14BrNO",
"role": "assistant"
}
] |
194 | {
"selfies": [],
"smiles": []
} | C21H20N4O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the molecular formula of the molecule 4-methyl-2-[[3-methyl-4-[(3-methylphenyl)diazenyl]phenyl]diazenyl]phenol ?",
"role": "user"
},
{
"content": "C21H20N4O",
"role": "assistant"
}
] |
195 | {
"selfies": [],
"smiles": []
} | C13H18N2O3 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the molecular formula for the IUPAC named substance 2-(dimethylamino)ethyl 4-acetamidobenzoate .",
"role": "user"
},
{
"content": "C13H18N2O3",
"role": "assistant"
}
] |
196 | {
"selfies": [],
"smiles": []
} | C14H11N | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule named phenanthren-2-amine by IUPAC nomenclature, provide its molecular formula.",
"role": "user"
},
{
"content": "C14H11N",
"role": "assistant"
}
] |
197 | {
"selfies": [],
"smiles": []
} | C8H11NO | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "For the molecule named 2,4,6-trimethyl-1-oxidopyridin-1-ium by IUPAC nomenclature, provide its molecular formula.",
"role": "user"
},
{
"content": "C8H11NO",
"role": "assistant"
}
] |
198 | {
"selfies": [],
"smiles": []
} | C14H12O3S | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the chemical IUPAC name 2-(benzenesulfonyl)-1-phenylethanone into its molecular formula.",
"role": "user"
},
{
"content": "C14H12O3S",
"role": "assistant"
}
] |
199 | {
"selfies": [],
"smiles": []
} | C23H12Cl2N6Na2O8S2 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the molecular formula of the molecule disodium;1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate .",
"role": "user"
},
{
"content": "C23H12Cl2N6Na2O8S2",
"role": "assistant"
}
] |