id int64 0 300k | molecules dict | ground_truth stringlengths 2 1.6k | messages listlengths 3 3 |
|---|---|---|---|
100 | {
"selfies": [],
"smiles": []
} | CCOC(=O)C(CN1CCCCC1)(C(=O)OCC)C1=CC=CC=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "diethyl 2-phenyl-2-(piperidin-1-ylmethyl)propanedioate The above is the IUPAC name of a molecule. Write its SMILES notation.",
"role": "user"
... |
101 | {
"selfies": [],
"smiles": []
} | N#CC([NH3+])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": "Can you give the SMILES notation of the molecule [cyano(phenyl)methyl]azanium;chloride ?",
"role": "user"
},
{
"content": "N#CC([NH3+])C... |
102 | {
"selfies": [],
"smiles": []
} | CC(C=O)=CC(C)(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 representation for 2,4,4-trimethylpent-2-enal ?",
"role": "user"
},
{
"content": "CC(C=O)=CC(C)(C)C",
"role": "as... |
103 | {
"selfies": [],
"smiles": []
} | CC[NH+](CCCC(C)Cl)CCOC(=O)C1=CC(OC)=C(OC)C(OC)=C1;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": "What is the SMILES notation for 4-chloropentyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium;2-hydroxy-2-oxoacetate ?",
"role": "user"
},... |
104 | {
"selfies": [],
"smiles": []
} | CN(SN1CCOCC1)C(=O)OC1=CC=CC2=C1OC(C)(C)C2 | [
{
"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 (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-morpholin-4-ylsulfanylcarbamate ?",
"role": "user"
},
{... |
105 | {
"selfies": [],
"smiles": []
} | CCOC(=O)C1=C(C)C=C2C(CO)=NNC(=O)C2=C1C | [
{
"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 ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3H-phthalazine-6-carboxylate ?",
"role": "... |
106 | {
"selfies": [],
"smiles": []
} | CC1(C)C(=O)CCC2CC(=O)CCC21C | [
{
"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 4a,5,5-trimethyl-1,3,4,7,8,8a-hexahydronaphthalene-2,6-dione ?",
"role": "user"
},
{
"content": "CC1(C)C... |
107 | {
"selfies": [],
"smiles": []
} | C#CCOC(C)N1C=CC2=CC=CC=C21 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "1-(1-prop-2-ynoxyethyl)indole is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
},
{
"content": "... |
108 | {
"selfies": [],
"smiles": []
} | CC1=CC=CC(OC(=O)N(C)N=O)=C1 | [
{
"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-methylphenyl) N-methyl-N-nitrosocarbamate into SMILES representation.",
"role": "user"
},
{
"con... |
109 | {
"selfies": [],
"smiles": []
} | COC1=CC=C(C(=O)C2=CC=CC=C2)C(OC)=C1CN1CCCCC1 | [
{
"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 [2,4-dimethoxy-3-(piperidin-1-ylmethyl)phenyl]-phenylmethanone ?",
"role": "user"
},
{
"content": "COC1=... |
110 | {
"selfies": [],
"smiles": []
} | CC1=CC(O)=CC=C1[N+](=O)[O-];CC1=CC([N+](=O)[O-])=CC=C1O | [
{
"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-methyl-4-nitrophenol;3-methyl-4-nitrophenol ?",
"role": "user"
},
{
"content": "CC1=CC(O)=CC=C1[N+](=O... |
111 | {
"selfies": [],
"smiles": []
} | CC(C)NCC(=O)NCC(=O)N(C)C1=CC=C(Cl)C=C1C(=O)C1=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 N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide... |
112 | {
"selfies": [],
"smiles": []
} | CN1CCN(C2=C(N)C(=O)OC3=CC=CC=C23)CC1 | [
{
"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-amino-4-(4-methylpiperazin-1-yl)chromen-2-one .",
"role": "user"
},
{
... |
113 | {
"selfies": [],
"smiles": []
} | O=C(O)C(Cl)(Cl)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 give the SMILES notation of the molecule 2,2-dichloro-2-phenylacetic acid ?",
"role": "user"
},
{
"content": "O=C(O)C(Cl)(Cl)C1=... |
114 | {
"selfies": [],
"smiles": []
} | OC1=CC=CC(F)=C1C=NCCN=CC1=C(O)C=CC=C1F | [
{
"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-fluoro-2-[2-[(2-fluoro-6-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol .",
"ro... |
115 | {
"selfies": [],
"smiles": []
} | O=C(NN=C1SCCS1)C1=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 for N-(1,3-dithiolan-2-ylideneamino)benzamide ?",
"role": "user"
},
{
"content": "O=C(NN=C1SCCS1)C1=CC... |
116 | {
"selfies": [],
"smiles": []
} | C[NH+](CCSCCCl)CCSCCCl;[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 bis[2-(2-chloroethylsulfanyl)ethyl]-methylazanium;chloride ?",
"role": "user"
},
{
"content": "C[NH+](CC... |
117 | {
"selfies": [],
"smiles": []
} | CCOC1=CC2=C(C=C1OCC)C(CCC1=CC=C(Cl)C=C1)[NH+](C)CC2;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": "What is the SMILES representation for 1-[2-(4-chlorophenyl)ethyl]-6,7-diethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;2-hydroxy-2-oxoacetate ?... |
118 | {
"selfies": [],
"smiles": []
} | C[N+](C)(C)C1=CC=CC(NC(N)=O)=C1;[I-] | [
{
"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 [3-(carbamoylamino)phenyl]-trimethylazanium;iodide ?",
"role": "user"
},
{
"content": "C[N+](C)(C)... |
119 | {
"selfies": [],
"smiles": []
} | CCCCCCOC1=CC=C(NC(=O)OC(C)CN(CC)CC)C(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 1-(diethylamino)propan-2-yl N-(4-hexoxy-2-methylphenyl)carbamate .",
"role": "us... |
120 | {
"selfies": [],
"smiles": []
} | CN(C)C(=O)OC1=CC=C([N+](C)(C)CCO)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-(dimethylcarbamoyloxy)phenyl]-(2-hydroxyethyl)-dimethylazanium .",
"role": "u... |
121 | {
"selfies": [],
"smiles": []
} | O=C(OCC[NH+]1CCCCC1)N1C2=CC=CC=C2C2=CC=CC=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 2-piperidin-1-ium-1-ylethyl carbazole-9-carboxylate;chloride .",
"role": "user"
},
{
... |
122 | {
"selfies": [],
"smiles": []
} | CC(=O)N(C(C)=O)C(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 N-acetyl-N-tert-butylacetamide as the IUPAC name, what is the corresponding SMILES representation?",
"role": "user"
},
... |
123 | {
"selfies": [],
"smiles": []
} | CN(C)CC12CC3CC(CC(C3)C1Br)C2 | [
{
"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 1-(2-bromo-1-adamantyl)-N,N-dimethylmethanamine ?",
"role": "user"
},
{
"cont... |
124 | {
"selfies": [],
"smiles": []
} | OC1C=CC2=CC3=C4C=CC=CC4=C4C=CC=CC4=C3C=C2C1O | [
{
"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 (11S)-10,11-dihydrobenzo[b]triphenylene-10,11-diol ?",
"role": "user"
},
{
"content": "OC1C=CC2=CC3=C4C... |
125 | {
"selfies": [],
"smiles": []
} | CCCCC(CCCC)[NH2+]CC(C)OC(=O)C1=CC=C(N)C=C1;[Cl-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "2-(4-aminobenzoyl)oxypropyl-nonan-5-ylazanium;chloride is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
... |
126 | {
"selfies": [],
"smiles": []
} | CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(OC(F)F)C=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 [cyano-(3-phenoxyphenyl)methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate ?",
"role": "us... |
127 | {
"selfies": [],
"smiles": []
} | COC1=CC=CC(C[N+](C)(C)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 (3-methoxyphenyl)methyl-trimethylazanium .",
"role": "user"
},
{
"conten... |
128 | {
"selfies": [],
"smiles": []
} | C=CC1=CC(Cl)=C(Cl)C(Cl)=C1Cl | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "1,2,3,4-tetrachloro-5-ethenylbenzene is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
},
{
"cont... |
129 | {
"selfies": [],
"smiles": []
} | CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC(=O)C(O)=CO1;[I-] | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "(5-hydroxy-4-oxopyran-2-yl)methyl-dimethyl-octadecylazanium;iodide The above is the IUPAC name of a molecule. Write its SMILES notation.",
"role... |
130 | {
"selfies": [],
"smiles": []
} | COC1=CC(C=NO)=CC(I)=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-(hydroxyiminomethyl)-2-iodo-6-methoxyphenol ?",
"role": "user"
},
{
"content": "COC1=... |
131 | {
"selfies": [],
"smiles": []
} | CC(CC1=CC=CC(C(F)(F)F)=C1)NCCOC(=O)CCC1=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 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 3-phenylpropanoate ?",
"role": "user"
... |
132 | {
"selfies": [],
"smiles": []
} | CC(C)COC1=CC=C(CN(CCO)CCO)C=C1[N+](=O)[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-[2-hydroxyethyl-[[4-(2-methylpropoxy)-3-nitrophenyl]methyl]amino]ethanol ?",
"role": "user"
... |
133 | {
"selfies": [],
"smiles": []
} | CCC(C)OP(=O)(OC1=CC=CC([N+](C)(C)C)=C1)OC(C)CC | [
{
"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-di(butan-2-yloxy)phosphoryloxyphenyl]-trimethylazanium ?",
"role": "user"
... |
134 | {
"selfies": [],
"smiles": []
} | CN(C)CCOCCOC(=O)C1=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": "Please write the SMILES representation of the molecule 2-[2-(dimethylamino)ethoxy]ethyl 4-aminobenzoate .",
"role": "user"
},
{
"content... |
135 | {
"selfies": [],
"smiles": []
} | CN1CCOC1C1=CC=C(C#N)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 4-(3-methyl-1,3-oxazolidin-2-yl)benzonitrile ?",
"role": "user"
},
{
"... |
136 | {
"selfies": [],
"smiles": []
} | O=CC1=CC=C(OCCCN2CCN(C3=CC=CC=C3)CC2)C=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-[3-(4-phenylpiperazin-1-yl)propoxy]benzaldehyde ?",
"role": "user"
},
{
"content": "O... |
137 | {
"selfies": [],
"smiles": []
} | COC1=CC(C(=O)OC2CN3CCC2CC3)=CC(OC)=C1OC | [
{
"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-azabicyclo[2.2.2]octan-3-yl 3,4,5-trimethoxybenzoate . Can you provide its SMILES representation?",
"r... |
138 | {
"selfies": [],
"smiles": []
} | CC(NCCN(C)C)C(=O)O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "2-[2-(dimethylamino)ethylamino]propanoic acid The above is the IUPAC name of a molecule. Write its SMILES notation.",
"role": "user"
},
{
... |
139 | {
"selfies": [],
"smiles": []
} | CC1=C(COC(=O)C(O)(C2=CC=CC=C2)C2CCCC2)CN(C)CC1 | [
{
"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 (1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate ?",
"role": "user"
}... |
140 | {
"selfies": [],
"smiles": []
} | CCCC(=O)N(C)C(=O)ON=C1CSCCS1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "(1,4-dithian-2-ylideneamino) N-butanoyl-N-methylcarbamate is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "use... |
141 | {
"selfies": [],
"smiles": []
} | COC1=CC=C(C(=O)NC2=CC=C(C(=O)NN=CC3=CC=C(OC)C(OC)=C3)C=C2)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 N-[(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide ?",
"role": "user"
},
{
"... |
142 | {
"selfies": [],
"smiles": []
} | CCCCNC1=CC=C(C(=O)OCC(O)C[NH+]2CCCC2)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 representation for (2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl) 4-(butylamino)benzoate;chloride ?",
"role": "user"
},
{
... |
143 | {
"selfies": [],
"smiles": []
} | C=CCOC1=C(CC=C)C=C(C(=O)O)C=C1CC=C | [
{
"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 4-prop-2-enoxy-3,5-bis(prop-2-enyl)benzoic acid ?",
"role": "user"
},
{
"content": "C=CCOC1=C(CC=C)C=C(... |
144 | {
"selfies": [],
"smiles": []
} | CCCCN1C=C(C(=O)C(=O)N(C)C)C2=CC=CC=C21 | [
{
"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-(1-butylindol-3-yl)-N,N-dimethyl-2-oxoacetamide ?",
"role": "user"
},
{
... |
145 | {
"selfies": [],
"smiles": []
} | O=C1N=CCN1C1=NC=C([N+](=O)[O-])S1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "3-(5-nitro-1,3-thiazol-2-yl)-4H-imidazol-2-one is the IUPAC name of a molecule. Please give its SMILES representation.",
"role": "user"
},
{... |
146 | {
"selfies": [],
"smiles": []
} | CC1(C)CCC[NH+]1CCOC(=O)C(O)(C1=CC=CC=C1)C1CCCC1;[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-(2,2-dimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate;c... |
147 | {
"selfies": [],
"smiles": []
} | C=C(C)C(O)(C(=O)OC1CC(C)N(C)C(C)(C)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": "Could you provide the SMILES for (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-3-methyl-2-phenylbut-3-enoate ?",
"role": "user"
},
{
"co... |
148 | {
"selfies": [],
"smiles": []
} | CC#CC(O)(C(=O)OC1CN2CCC1CC2)C1=CC=CC=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 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-ynoate ?",
"role": "user"
},
{
"content": "CC#CC... |
149 | {
"selfies": [],
"smiles": []
} | CCOC(=O)C(CN(CCCl)CCCl)(C(=O)OCC)[N+](=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 diethyl 2-[bis(2-chloroethyl)aminomethyl]-2-nitropropanedioate ?",
"role": "user"
},
{
"content": "CCOC(... |
150 | {
"selfies": [],
"smiles": []
} | CCN(CC)CCSCC(=O)NC1=CC=CC=C1C | [
{
"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-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide ?",
"role": "user"
},
{
"content": "... |
151 | {
"selfies": [],
"smiles": []
} | C[N+](C)(C)CCCN1CC2CCCC(C1)[N+]2(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 representation of the molecule with IUPAC name 3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl-trimethylazanium ?",... |
152 | {
"selfies": [],
"smiles": []
} | CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N1N=C(C(C)(C)C)SC1C(=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 representation for 5-tert-butyl-3-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid ... |
153 | {
"selfies": [],
"smiles": []
} | CC(C)(C)NC(=O)C1CN(CC2=CC=CN=C2)CCN1CC(O)CC(CC1=CC=CC=C1)C(=O)NC1C2=CC=CC=C2CC1O;O=S(=O)(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 (2S)-1-[(2S)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-buty... |
154 | {
"selfies": [],
"smiles": []
} | O=C(O)CNCC(O)NCC(=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-[[2-(carboxymethylamino)-2-hydroxyethyl]amino]acetic acid into SMILES representation.",
"role": "user"
... |
155 | {
"selfies": [],
"smiles": []
} | CC1=CC=C(N)C=C1Cl;Cl | [
{
"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-chloro-4-methylaniline;hydrochloride into SMILES representation.",
"role": "user"
},
{
"content":... |
156 | {
"selfies": [],
"smiles": []
} | CCCCOCCOC(C)CO | [
{
"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-(2-butoxyethoxy)propan-1-ol ?",
"role": "user"
},
{
"content": "CCCCOCCOC(C)CO",
"role": "assistan... |
157 | {
"selfies": [],
"smiles": []
} | CC1=NC2=CC=CC=C2C(=O)N1CCCN1CCCCC1 | [
{
"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-methyl-3-(3-piperidin-1-ylpropyl)quinazolin-4-one ?",
"role": "user"
},
... |
158 | {
"selfies": [],
"smiles": []
} | CC1=C(O)C=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": "The IUPAC name of a certain molecule is 6-amino-2-(fluoromethyl)-3-(3-hydroxy-2-methylphenyl)quinazolin-4-one . Can you provide its SMILES represent... |
159 | {
"selfies": [],
"smiles": []
} | O=C(NCCC12CC3CC(CC(C3)C1)C2)C1=CC=CC=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 N-[2-(1-adamantyl)ethyl]pyridine-2-carboxamide ?",
"role": "user"
},
{
"content": "O=C(NCCC12CC3CC(CC(C3... |
160 | {
"selfies": [],
"smiles": []
} | COC1=CC=C(CCN(C)CCCN2CCC3=CC(OC)=C(OC)C=C3CC2=O)C=C1OC | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one is the IUPAC name of a molecule. Please give ... |
161 | {
"selfies": [],
"smiles": []
} | NC(=O)C1=C(C(N)=O)NC=N1 | [
{
"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 1H-imidazole-4,5-dicarboxamide ?",
"role": "user"
},
{
"content": "NC(=O)C1=C... |
162 | {
"selfies": [],
"smiles": []
} | CC(C)C1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "4-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide The above is the IUPAC name of a molecule. Write its SMILES notation.",
"role"... |
163 | {
"selfies": [],
"smiles": []
} | O=C(O)C1=NC=CN=C1C(=O)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 pyrazine-2,3-dicarboxylic acid ?",
"role": "user"
},
{
"content": "O=C(O)C1=N... |
164 | {
"selfies": [],
"smiles": []
} | CC(C)OCCC#N | [
{
"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-propan-2-yloxypropanenitrile into SMILES representation.",
"role": "user"
},
{
"content": "CC(C)O... |
165 | {
"selfies": [],
"smiles": []
} | O=C(NC1=CC=C2C(O)=CC(S(=O)(=O)O)=CC2=C1)C1=CC=C([N+](=O)[O-])C=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 4-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid ?",
"role": "user"
}... |
166 | {
"selfies": [],
"smiles": []
} | O=C(NC1=CC=CC([N+](=O)[O-])=C1)C1=CC=C([N+](=O)[O-])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 4-nitro-N-(3-nitrophenyl)benzamide ?",
"role": "user"
},
{
"content": "O=C(NC1=CC=CC([N+](=O)[O-])=C1)C1... |
167 | {
"selfies": [],
"smiles": []
} | N#CC(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 2,2,3,3,3-pentafluoropropanenitrile ?",
"role": "user"
},
{
"content": "N#CC(F)(F)C(F)(... |
168 | {
"selfies": [],
"smiles": []
} | CCOC1=CC=CC(C=O)=C1O | [
{
"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 3-ethoxy-2-hydroxybenzaldehyde ?",
"role": "user"
},
{
"content": "CCOC1=CC=CC(C=O)=C1O",
"rol... |
169 | {
"selfies": [],
"smiles": []
} | CCN(CC)CCOC(=O)C1N2C(=O)C(NC(=O)C3=C(OC)C=CC=C3OC)C2SC1(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 representation for 2-(diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]... |
170 | {
"selfies": [],
"smiles": []
} | O=C1C=C(O)C(=O)C=C1O | [
{
"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 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione ?",
"role": "user"
},
{
"co... |
171 | {
"selfies": [],
"smiles": []
} | C1=CC=C2CCC2=C1 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "bicyclo[4.2.0]octa-1,3,5-triene The above is the IUPAC name of a molecule. Write its SMILES notation.",
"role": "user"
},
{
"content": "... |
172 | {
"selfies": [],
"smiles": []
} | O=S(=O)(Cl)CCF | [
{
"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-fluoroethanesulfonyl chloride into SMILES representation.",
"role": "user"
},
{
"content": "O=S(=... |
173 | {
"selfies": [],
"smiles": []
} | C[SiH2]C1=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 notation for methyl(phenyl)silane ?",
"role": "user"
},
{
"content": "C[SiH2]C1=CC=CC=C1",
"role": "assistant"
... |
174 | {
"selfies": [],
"smiles": []
} | CC(C)(C)OC(=O)NN | [
{
"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 tert-butyl N-aminocarbamate ?",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)NN",
"role": "as... |
175 | {
"selfies": [],
"smiles": []
} | NNC(=O)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 notation for 2-phenylacetohydrazide ?",
"role": "user"
},
{
"content": "NNC(=O)CC1=CC=CC=C1",
"role": "assistant"... |
176 | {
"selfies": [],
"smiles": []
} | C[Si](C1=CC=CC=C1)(C1=CC=CC=C1)[Si](C)(C1=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": "Please identify the SMILES representation of the molecule named methyl-[methyl(diphenyl)silyl]-diphenylsilane .",
"role": "user"
},
{
"c... |
177 | {
"selfies": [],
"smiles": []
} | CC1(C)SC2C(NC(=O)C(OC3=CC=CC=C3)C3=CC=CC=C3)C(=O)N2C1C(=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 (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxy-2-phenylacetyl)amino]-4-thia-1-azabicycl... |
178 | {
"selfies": [],
"smiles": []
} | CC(C)NCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2 | [
{
"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 1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol ?",
"role": "user"
},
{
"content": "CC(C)N... |
179 | {
"selfies": [],
"smiles": []
} | CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is the IUPAC name of a molecule. Please give its SMILES represent... |
180 | {
"selfies": [],
"smiles": []
} | CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O)C(=O)NC(C=O)CC1=CC=CC=C1 | [
{
"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 (2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]buta... |
181 | {
"selfies": [],
"smiles": []
} | O=C1NC(=O)N(COCCO)C=C1F | [
{
"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-fluoro-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione .",
"role": "user"
},
... |
182 | {
"selfies": [],
"smiles": []
} | CN(C)C1C(=O)C(C(N)=O)=C([O-])C2(O)C(=O)C3=C([O-])C4=C(O)C=CC=C4C(C)(O)C3C(O)C12;[Ca+2] | [
{
"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 calcium;(4S,4aR,5S,6S,12aR)-2-carbamoyl-4-(dimethylamino)-5,6,10,12a-tetrahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a... |
183 | {
"selfies": [],
"smiles": []
} | C=C1C(=O)OC2CC3(C)CCCC(C)C3=CC12 | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one is the IUPAC name of a molecule. Please give its... |
184 | {
"selfies": [],
"smiles": []
} | NC1=CC=C2C(=O)NC(=O)C2=C1 | [
{
"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 SMILES representation.",
"role": "user"
},
{
"content": "NC1=CC=C2C... |
185 | {
"selfies": [],
"smiles": []
} | COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O | [
{
"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 (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydrox... |
186 | {
"selfies": [],
"smiles": []
} | N#CN1CCOCC1 | [
{
"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 morpholine-4-carbonitrile ?",
"role": "user"
},
{
"content": "N#CN1CCOCC1",
"role":... |
187 | {
"selfies": [],
"smiles": []
} | ClC(Cl)[Si](Cl)(Cl)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 trichloro(dichloromethyl)silane ?",
"role": "user"
},
{
"content": "ClC(Cl)[Si](Cl)(Cl)Cl",
"role":... |
188 | {
"selfies": [],
"smiles": []
} | COC(=O)CCCC(=O)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 methyl 5-chloro-5-oxopentanoate ?",
"role": "user"
},
{
"content": "COC(=O)CCCC(=O)Cl",
"role"... |
189 | {
"selfies": [],
"smiles": []
} | C1=CC=C(C2=CC=C(C3=CC=CC=C3)S2)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 2,5-diphenylthiophene ?",
"role": "user"
},
{
"content": "C1=CC=C(C2=C... |
190 | {
"selfies": [],
"smiles": []
} | OCCN1C=CN=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 2-imidazol-1-ylethanol ?",
"role": "user"
},
{
"content": "OCCN1C=CN=C1",
... |
191 | {
"selfies": [],
"smiles": []
} | C[Si]1(C)O[Si](C)(C)O[Si](C2=CC=CC=C2)(C2=CC=CC=C2)O[Si](C)(C)O1 | [
{
"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 2,2,4,4,6,6-hexamethyl-8,8-diphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane .",
"role": "us... |
192 | {
"selfies": [],
"smiles": []
} | C=C(C)O[Si](C)(C)C | [
{
"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 trimethyl(prop-1-en-2-yloxy)silane into SMILES representation.",
"role": "user"
},
{
"content": "C=... |
193 | {
"selfies": [],
"smiles": []
} | C[N+](C)(C)CCO;[Br-] | [
{
"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-hydroxyethyl(trimethyl)azanium;bromide .",
"role": "user"
},
{
"content": "C[N+... |
194 | {
"selfies": [],
"smiles": []
} | CC1=CC=CC(N=NC2=CC=C(N=NC3=CC(C)=CC=C3O)C=C2C)=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 4-methyl-2-[[3-methyl-4-[(3-methylphenyl)diazenyl]phenyl]diazenyl]phenol ?",
"role": "user"
},
{
"... |
195 | {
"selfies": [],
"smiles": []
} | CC(=O)NC1=CC=C(C(=O)OCCN(C)C)C=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 2-(dimethylamino)ethyl 4-acetamidobenzoate .",
"role": "user"
},
{
"content": "CC... |
196 | {
"selfies": [],
"smiles": []
} | NC1=CC=C2C(=C1)C=CC1=CC=CC=C12 | [
{
"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 phenanthren-2-amine ?",
"role": "user"
},
{
"content": "NC1=CC=C2C(=C1)C=CC1=CC=CC=C12",
"role": "a... |
197 | {
"selfies": [],
"smiles": []
} | CC1=CC(C)=[N+]([O-])C(C)=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 2,4,6-trimethyl-1-oxidopyridin-1-ium ?",
"role": "user"
},
{
"content": "CC1=CC(C)=[N+]([O-])C(C)=C1",
... |
198 | {
"selfies": [],
"smiles": []
} | O=C(CS(=O)(=O)C1=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": "For the molecule with 2-(benzenesulfonyl)-1-phenylethanone as the IUPAC name, what is the corresponding SMILES representation?",
"role": "user"
... |
199 | {
"selfies": [],
"smiles": []
} | NC1=C(S(=O)(=O)[O-])C=C(NC2=CC=C(S(=O)(=O)[O-])C(NC3=NC(Cl)=NC(Cl)=N3)=C2)C2=C1C(=O)C1=CC=CC=C1C2=O;[Na+];[Na+] | [
{
"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 disodium;1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-2-su... |
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