molecules
dict | messages
listlengths 3
3
|
|---|---|
{
"smiles": [
"COC1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OCC(C)N(CCC(F)(F)F)CC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "COC1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OCC(C)N(CCC(F)(F)F)CC1C",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)CCCC#CC(Br)C(O)CCCCC=C(Br)C=CBr"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "COC(=O)CCCC#CC(Br)C(O)CCCCC=C(Br)C=CBr",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCOc1cc(O)c(C(=O)C(C)C)c(O)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC(C)=CCOc1cc(O)c(C(=O)C(C)C)c(O)c1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C2c3cc4c(cc3CC3COC(=O)C32)OCO4)cc(OC)c1OC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COc1cc(C2c3cc4c(cc3CC3COC(=O)C32)OCO4)cc(OC)c1OC",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1cc(O)c2c(=O)c(C)c(-c3ccc(O)c(C)c3)oc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "Cc1cc(O)c2c(=O)c(C)c(-c3ccc(O)c(C)c3)oc2c1",
"role": "assistant"
}
] |
{
"smiles": [
"COCC(=O)N1CC(C)C(OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OCC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "COCC(=O)N1CC(C)C(OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OCC1C",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OCC(C)N(C)CC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "COC1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OCC(C)N(C)CC1C",
"role": "assistant"
}
] |
{
"smiles": [
"NCCCOc1c(Br)cc(C(O)CN)cc1Br"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "NCCCOc1c(Br)cc(C(O)CN)cc1Br",
"role": "assistant"
}
] |
{
"smiles": [
"C=CC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2CCN1C(C)=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C=CC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2CCN1C(C)=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)C(C)C=CC(C)C1CC2C3=CC=C4CC(OC5OCC(O)C6OC(=O)C(=O)OC56)CCC4(C)C3CCC2(C)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(C)C(C)C=CC(C)C1CC2C3=CC=C4CC(OC5OCC(O)C6OC(=O)C(=O)OC56)CCC4(C)C3CCC2(C)C1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O",
"role": "assistant"
}
] |
{
"smiles": [
"C#CC=CCC1OC(C(Br)CC)CC(OC(C)=O)C(Cl)CC1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "C#CC=CCC1OC(C(Br)CC)CC(OC(C)=O)C(Cl)CC1Cl",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC(=O)C2=C(C)CC(=O)C3C(C)C(=O)OC3C12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1=CC(=O)C2=C(C)CC(=O)C3C(C)C(=O)OC3C12",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CCCC2=CC(OC2=O)C(C)(C)C=CC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1=CCCC2=CC(OC2=O)C(C)(C)C=CC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC(CO)C(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1NC(C)=O)C(O)C(O)COC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1NC(C)=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(=O)NC(CO)C(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1NC(C)=O)C(O)C(O)COC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1NC(C)=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O",
"role": "assistant"
}
] |
{
"smiles": [
"C=CCn1c(=O)c(C(=O)Nc2nccs2)c(O)c2ccccc21"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "C=CCn1c(=O)c(C(=O)Nc2nccs2)c(O)c2ccccc21",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c(O)c1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "COc1cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c(O)c1C",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "O=C(O)C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OCC(C)N(Cc2cccnc2)CC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COC1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OCC(C)N(Cc2cccnc2)CC1C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)c1cc(C(=O)CC(C)C)c(O)cc1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(=O)c1cc(C(=O)CC(C)C)c(O)cc1O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(c1cnccn1)N1CC(=O)N2C(CO)C(c3ccc(-c4cccc(F)c4)cc3)C2C1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "O=C(c1cnccn1)N1CC(=O)N2C(CO)C(c3ccc(-c4cccc(F)c4)cc3)C2C1",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)OC2C=C(C)CCC=C(C)CCC=C(C)CCC12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=C1C(=O)OC2C=C(C)CCC=C(C)CCC=C(C)CCC12",
"role": "assistant"
}
] |
{
"smiles": [
"COc1c(OCC(O)C(C)(C)O)cc2oc(=O)ccc2c1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COc1c(OCC(O)C(C)(C)O)cc2oc(=O)ccc2c1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(C)C(O)C(OC6OC(C)C(O)C(O)C6OC6OC(C)C(OC7OCC(O)C(O)C7O)C(O)C6O)C5O)C(O)CC34C)C2(C)CO)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(C)C(O)C(OC6OC(C)C(O)C(O)C6OC6OC(C)C(OC7OCC(O)C(O)C7O)C(O)C6O)C5O)C(O)CC34C)C2(C)CO)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1OC(OC2C(O)C(OCCc3ccc(O)cc3)OC(CO)C2OC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1OC(OC2C(O)C(OCCc3ccc(O)cc3)OC(CO)C2OC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"[NH3+]CC(=O)NC(Cc1ccccc1)C(=O)[O-]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "[NH3+]CC(=O)NC(Cc1ccccc1)C(=O)[O-]",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(N)Cc2ccc3ccccc3c2)CSSCC(C(=O)NC(C(N)=O)C(C)O)NC1=O.CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(N)Cc2ccc3ccccc3c2)CSSCC(C(=O)NC(C(N)=O)C(C)O)NC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(N)Cc2ccc3ccccc3c2)CSSCC(C(=O)NC(C(N)=O)C(C)O)NC1=O.CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(N)Cc2ccc3ccccc3c2)CSSCC(C(=O)NC(C(N)=O)C(C)O)NC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(C)cc1OC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COc1ccc(C)cc1OC",
"role": "assistant"
}
] |
{
"smiles": [
"Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC2C(COP(=O)(O)O)OC(n3cnc4c(N)ncnc43)C2O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC2C(COP(=O)(O)O)OC(n3cnc4c(N)ncnc43)C2O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC=C1C(=O)OCC1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC=C1C(=O)OCC1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1CC23CC4C5C6(C)CC(O)CC57C2C(O)C1C(O)C3(O)C7N4C6"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "C=C1CC23CC4C5C6(C)CC(O)CC57C2C(O)C1C(O)C3(O)C7N4C6",
"role": "assistant"
}
] |
{
"smiles": [
"COc1c(O)ccc2c1Oc1c3c(cc(O)c1C(=O)O2)OC(C)(C)C=C3"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COc1c(O)ccc2c1Oc1c3c(cc(O)c1C(=O)O2)OC(C)(C)C=C3",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(C)C(=O)OC1C(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC=C(C)C(=O)OC1C(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1CCCC23OC4=C(CC2(C)C(C)CCC13C)C(=O)OC4(CC(=O)OC)OC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C=C1CCCC23OC4=C(CC2(C)C(C)CCC13C)C(=O)OC4(CC(=O)OC)OC",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C2C(=O)C3(C)C(OC14CC(=O)OC(c1ccoc1)C4(C)C2O)C(O)C(OC(C)=O)C(C)(C)C3CC(=O)OC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "C=C1C2C(=O)C3(C)C(OC14CC(=O)OC(c1ccoc1)C4(C)C2O)C(O)C(OC(C)=O)C(C)(C)C3CC(=O)OC",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)CO)CC(C)C(CN(C)C(=O)CCC(F)(F)F)OCCCCC(C)O2"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)CO)CC(C)C(CN(C)C(=O)CCC(F)(F)F)OCCCCC(C)O2",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(NC(=O)c1cccc(NC=O)c1O)C(=O)OC(C)C(=O)OC1C(Cc2ccccc2)OC(=O)C1(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC=C(NC(=O)c1cccc(NC=O)c1O)C(=O)OC(C)C(=O)OC1C(Cc2ccccc2)OC(=O)C1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=CCO)CCC1C(C)=CCC2C(C)(C)C(OC(=O)CC(=O)O)CCC12C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC(=CCO)CCC1C(C)=CCC2C(C)(C)C(OC(=O)CC(=O)O)CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"COC(CN(C)Cc1ccc2c(c1)OCO2)C(C)CN(C(=O)Nc1ccc(F)cc1)C(C)CO"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COC(CN(C)Cc1ccc2c(c1)OCO2)C(C)CN(C(=O)Nc1ccc(F)cc1)C(C)CO",
"role": "assistant"
}
] |
{
"smiles": [
"CC1C(O)C(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC1C(O)C(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12",
"role": "assistant"
}
] |
{
"smiles": [
"CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12",
"role": "assistant"
}
] |
{
"smiles": [
"Brc1ccccc1C1Nc2cccc3cccc(c23)N1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "Brc1ccccc1C1Nc2cccc3cccc(c23)N1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C12",
"role": "assistant"
}
] |
{
"smiles": [
"COc1c(O)cc2c(c1O)C(=O)c1c(cn(-c3ccccc3C(N)=O)c1C)C2=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COc1c(O)cc2c(c1O)C(=O)c1c(cn(-c3ccccc3C(N)=O)c1C)C2=O",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(=O)NC1C=CC(CC(=O)NCC2CCCCC2)OC1CO"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCC(=O)NC1C=CC(CC(=O)NCC2CCCCC2)OC1CO",
"role": "assistant"
}
] |
{
"smiles": [
"CCc1nccs1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCc1nccs1",
"role": "assistant"
}
] |
{
"smiles": [
"CCC1Oc2c(-c3ccc(O)cc3)c[nH]c(=O)c2C2C(C)CC(C)CC12C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCC1Oc2c(-c3ccc(O)cc3)c[nH]c(=O)c2C2C(C)CC(C)CC12C",
"role": "assistant"
}
] |
{
"smiles": [
"NC(CC(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "NC(CC(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"O=CC1(C=COC2OC(CO)C(O)C(O)C2O)CCC(COC(=O)C(=Cc2ccc(O)cc2)C(=Cc2ccc(O)c(O)c2)C(=O)OCC2CCC(C=O)(CCOC3OC(CO)C(O)C(O)C3O)C(O)C2)CC1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "O=CC1(C=COC2OC(CO)C(O)C(O)C2O)CCC(COC(=O)C(=Cc2ccc(O)cc2)C(=Cc2ccc(O)c(O)c2)C(=O)OCC2CCC(C=O)(CCOC3OC(CO)C(O)C(O)C3O)C(O)C2)CC1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCC1CCCCC(C)C(OC(C)=O)c2cc(O)c(c(O)c2)C(CCCC)CCCCC(C)C(OC2OCC(O)C(O)C2O)c2cc(O)c1c(O)c2"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCCC1CCCCC(C)C(OC(C)=O)c2cc(O)c(c(O)c2)C(CCCC)CCCCC(C)C(OC2OCC(O)C(O)C2O)c2cc(O)c1c(O)c2",
"role": "assistant"
}
] |
{
"smiles": [
"CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC12CCC(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC12CCC(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(C)c1cc(O)c(C)c(O)c1Oc1cc(C)cc(O)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC=C(C)c1cc(O)c(C)c(O)c1Oc1cc(C)cc(O)c1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(=O)CCCCCCCCCCCCCC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(=O)CCCCCCCCCCCCCC",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(COC5OC(C)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(OC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)C(O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(COC5OC(C)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(OC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)C(O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)CCCC(C)CCCC(C)C(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CCC(C)CCCC(C)CCCC(C)C(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"C.CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "C.CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CCC2(O)C13CC(OC(=O)C3O)C(C)(O)C21COC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC1CCC2(O)C13CC(OC(=O)C3O)C(C)(O)C21COC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OCC1=C2CC(C)(C)CC2C(C)CC(O)C1CO"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(=O)OCC1=C2CC(C)(C)CC2C(C)CC(O)C1CO",
"role": "assistant"
}
] |
{
"smiles": [
"OP(O)(=S)OP(O)(O)=S"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "OP(O)(=S)OP(O)(O)=S",
"role": "assistant"
}
] |
{
"smiles": [
"O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC(C1=C(O)C(C)=C2C(=COC(C)C2C)C1=O)C1=C(O)C(C)=C2C(=COC(C)C2C)C1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CCCC(C1=C(O)C(C)=C2C(=COC(C)C2C)C1=O)C1=C(O)C(C)=C2C(=COC(C)C2C)C1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCOc1ccc([N+](=O)[O-])cc1NC(C)=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CCCOc1ccc([N+](=O)[O-])cc1NC(C)=O",
"role": "assistant"
}
] |
{
"smiles": [
"NC1CC(O)(C(=O)O)CC(=O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "NC1CC(O)(C(=O)O)CC(=O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CC2C3CC(F)C4=CC(=O)C(Cl)=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC1CC2C3CC(F)C4=CC(=O)C(Cl)=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1ccccc1C=CC(=O)NC1C(=O)NC(Cc2ccccc2)C(=O)NC(CC(C)C)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCCCN)C(=O)NC(C(O)C(C)C)C(=O)NC(CO)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(C(O)C(C)C)C(=O)OC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "Cc1ccccc1C=CC(=O)NC1C(=O)NC(Cc2ccccc2)C(=O)NC(CC(C)C)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCCCN)C(=O)NC(C(O)C(C)C)C(=O)NC(CO)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(C(O)C(C)C)C(=O)OC1C",
"role": "assistant"
}
] |
{
"smiles": [
"COCC(=O)N(C)CC1C(c2ccccc2)C(CO)N1C(=O)Cc1cccnc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COCC(=O)N(C)CC1C(c2ccccc2)C(CO)N1C(=O)Cc1cccnc1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2)C(OC(=O)C=Cc2ccc(O)cc2)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2)C(OC(=O)C=Cc2ccc(O)cc2)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCC(CCNC(=O)c2ccc(F)cc2)OC1CO"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCC(CCNC(=O)c2ccc(F)cc2)OC1CO",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)C(=O)OC1CC2(C)C(=C(C)C(=O)CC2O)C2OC(=O)C(=C)C12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C=C(C)C(=O)OC1CC2(C)C(=C(C)C(=O)CC2O)C2OC(=O)C(=C)C12",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(O)(C(C)CCC(O)C(C)(O)COS(=O)(=O)O)C1(C)CC3"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(O)(C(C)CCC(O)C(C)(O)COS(=O)(=O)O)C1(C)CC3",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(OC(=O)C=Cc2ccccc2)CC(O)C2(C)C(OC(C)=O)C(OC(C)=O)C3(O)C(C)=C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "C=C1C(OC(=O)C=Cc2ccccc2)CC(O)C2(C)C(OC(C)=O)C(OC(C)=O)C3(O)C(C)=C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)CC(C)C(=O)OC1(C)C(=O)c2cnc(C(=O)O)cc2C=C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CCC(C)CC(C)C(=O)OC1(C)C(=O)c2cnc(C(=O)O)cc2C=C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(=O)NC1C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"[NH3+]C1C(O)C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "[NH3+]C1C(O)C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"NNc1ccc([N+](=O)[O-])cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "NNc1ccc([N+](=O)[O-])cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(O)(C(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2.[H-].[Na+]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CCC(O)(C(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2.[H-].[Na+]",
"role": "assistant"
}
] |
{
"smiles": [
"CN1C(=O)CCC1c1cccnc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CN1C(=O)CCC1c1cccnc1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5NC(C)=O)C(OC5(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O5)C4O)C(O)C3NC(C)=O)C2O)C(O)C1O)NC=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5NC(C)=O)C(OC5(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O5)C4O)C(O)C3NC(C)=O)C2O)C(O)C1O)NC=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CC2(C)C(C(C)C)CCC2C23CC2C(C)(O)CCC13C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(=O)OC1CC2(C)C(C(C)C)CCC2C23CC2C(C)(O)CCC13C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)CC1NC(=O)C(C)NC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC(C)CC1NC(=O)C(C)NC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC2(CC1O)C(C)CCC1C(C)C(=O)OC12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC1=CC2(CC1O)C(C)CCC1C(C)C(=O)OC12",
"role": "assistant"
}
] |
{
"smiles": [
"c1ccc2c(c1)c1ccccc1c1ccccc21"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "c1ccc2c(c1)c1ccccc1c1ccccc21",
"role": "assistant"
}
] |