molecules
dict | messages
listlengths 3
3
|
|---|---|
{
"smiles": [
"CC(=O)NC1C(OC2C(OCC3OC(OC4C(CO)OC(OC5C(CO)OC(O)C(NC(C)=O)C5OC5OC(C)C(O)C(O)C5O)C(NC(C)=O)C4O)C(OC4OC(CO)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4NC(C)=O)C3O)OC(CO)C(O)C2O)OC(CO)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> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(=O)NC1C(OC2C(OCC3OC(OC4C(CO)OC(OC5C(CO)OC(O)C(NC(C)=O)C5OC5OC(C)C(O)C(O)C5O)C(NC(C)=O)C4O)C(OC4OC(CO)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4NC(C)=O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=CCNC(=S)N1CCC(Cc2ccccc2)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=CCNC(=S)N1CCC(Cc2ccccc2)CC1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CCCC=CC(=O)c2c(O)cc(O)cc2CC(=O)O1"
]
} | [
{
"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": "CC1CCCC=CC(=O)c2c(O)cc(O)cc2CC(=O)O1",
"role": "assistant"
}
] |
{
"smiles": [
"COCC12C=NC3C4(C(OC)CC1)C1CC5C(OC)CC(O)(C1C5OC)C3(O)CC24"
]
} | [
{
"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": "COCC12C=NC3C4(C(OC)CC1)C1CC5C(OC)CC(O)(C1C5OC)C3(O)CC24",
"role": "assistant"
}
] |
{
"smiles": [
"COC1OC(O)C2C3CC4c5[nH]c6ccccc6c5CC(C13)N4C2C"
]
} | [
{
"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": "COC1OC(O)C2C3CC4c5[nH]c6ccccc6c5CC(C13)N4C2C",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(CCC(=O)O)cc1OS(=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": "COc1ccc(CCC(=O)O)cc1OS(=O)(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C)OC(=O)C=CC56CC46CCC23C)OC1=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": "CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C)OC(=O)C=CC56CC46CCC23C)OC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCCCCC(=O)OC12CC(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C1C2(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": "CCCCCCCCCCCCCCCC(=O)OC12CC(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C1C2(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"OCC1OC(c2c(O)cc(C3c4c(cc(O)c(C5OC(CO)C(O)C(O)C5O)c4O)C(=Cc4ccc(O)cc4)C3c3ccc(O)cc3)cc2O)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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "OCC1OC(c2c(O)cc(C3c4c(cc(O)c(C5OC(CO)C(O)C(O)C5O)c4O)C(=Cc4ccc(O)cc4)C3c3ccc(O)cc3)cc2O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(NCCC1CCC(NC(=O)c2ccccc2F)C(CO)O1)c1ccc2c(c1)OCO2"
]
} | [
{
"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": "O=C(NCCC1CCC(NC(=O)c2ccccc2F)C(CO)O1)c1ccc2c(c1)OCO2",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CC(O)C23COC(O)C1(C)C2CC(O)C1(C)C3C(=O)CC2(C)C(c3ccoc3)CC3OC321"
]
} | [
{
"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)OC1CC(O)C23COC(O)C1(C)C2CC(O)C1(C)C3C(=O)CC2(C)C(c3ccoc3)CC3OC321",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12C"
]
} | [
{
"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)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC(CO)C1CC(OC(=O)CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2=CC)C(C)C1COC(=O)CC1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CC"
]
} | [
{
"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=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC(CO)C1CC(OC(=O)CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2=CC)C(C)C1COC(=O)CC1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CC",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(C1CC1)N1CC2(C1)C(c1ccccc1)C(CO)N2Cc1nccs1"
]
} | [
{
"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": "O=C(C1CC1)N1CC2(C1)C(c1ccccc1)C(CO)N2Cc1nccs1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CC2C(C)(C)C(OC(=O)c3ccccc3)CC(OC(C)=O)C2(C)C2CCC3(C)C(=CCC3C3COC(=O)C3)C12C"
]
} | [
{
"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)OC1CC2C(C)(C)C(OC(=O)c3ccccc3)CC(OC(C)=O)C2(C)C2CCC3(C)C(=CCC3C3COC(=O)C3)C12C",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1ccc(C(C)CCC2OC2(C)C)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 give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "Cc1ccc(C(C)CCC2OC2(C)C)cc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCNC(=O)Nc1ccc2c(c1)OCC(C)N(C(C)=O)CC(C)C(OC)CN(C)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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCCNC(=O)Nc1ccc2c(c1)OCC(C)N(C(C)=O)CC(C)C(OC)CN(C)C2=O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C([O-])C=CC=CC(=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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "O=C([O-])C=CC=CC(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])OC1OC(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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])OC1OC(CO)C(O)C(O)C1O",
"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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"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": [
"Nc1cccc(S(=O)(=O)[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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "Nc1cccc(S(=O)(=O)[O-])c1",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)c3ccc(O)cc3)=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": "COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)c3ccc(O)cc3)=CCC12O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=CCCC(C)=CCCC(=CC(=O)c1cc(O)ccc1O)C(=O)C(CCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(C)(O)CO)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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC(=CCCC(C)=CCCC(=CC(=O)c1cc(O)ccc1O)C(=O)C(CCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(C)(O)CO)CO",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)c1cc(Br)c(O)c(Br)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 give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "O=C(O)c1cc(Br)c(O)c(Br)c1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CCC2(C)CC=CC(C)(C)C23CC13"
]
} | [
{
"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": "CC1=CCC2(C)CC=CC(C)(C)C23CC13",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)C(=O)c1c(O)c(C(CCCCC(C)C)c2c(O)c3c(c(C(=O)C(C)CC)c2O)OC(C)(C)CC3)c(O)c2c1OC(C)(C)CC2"
]
} | [
{
"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": "CCC(C)C(=O)c1c(O)c(C(CCCCC(C)C)c2c(O)c3c(c(C(=O)C(C)CC)c2O)OC(C)(C)CC3)c(O)c2c1OC(C)(C)CC2",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)OC2C=C(C)C(OC(C)=O)CC=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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C=C1C(=O)OC2C=C(C)C(OC(C)=O)CC=C(C)CCC12",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC(CCCC12OC(C(=O)O)C(O)(C(=O)O)C(C(=O)O)(O1)C(OC(=O)CCCCCCCCc1ccccc1)C2O)C(C)CC=Cc1ccccc1"
]
} | [
{
"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)OC(CCCC12OC(C(=O)O)C(O)(C(=O)O)C(C(=O)O)(O1)C(OC(=O)CCCCCCCCc1ccccc1)C2O)C(C)CC=Cc1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2C(Oc3cc4c(OC5OC(CO)C(O)C(O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)OC(COC(=O)C=Cc3ccc(O)c(O)c3)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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2C(Oc3cc4c(OC5OC(CO)C(O)C(O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C2O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)CCC=CCC=CCC=CC=CC(O)CC=CCC=CCCO"
]
} | [
{
"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(O)CCC=CCC=CCC=CC=CC(O)CC=CCC=CCCO",
"role": "assistant"
}
] |
{
"smiles": [
"O=c1cccc2n1CC1CC2CN2CCC(O)CC12"
]
} | [
{
"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=c1cccc2n1CC1CC2CN2CCC(O)CC12",
"role": "assistant"
}
] |
{
"smiles": [
"CC1(CO)CCC2(C)CCC3(C)C4=CC=C5C(C)(CCC(O)C5(C)C)C4=CCC3(C)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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC1(CO)CCC2(C)CCC3(C)C4=CC=C5C(C)(CCC(O)C5(C)C)C4=CCC3(C)C2C1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCCC(C)=CCCC(C)=CCCOC1(C)CCc2cc(O)cc(C)c2O1"
]
} | [
{
"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)=CCCC(C)=CCCC(C)=CCCOC1(C)CCc2cc(O)cc(C)c2O1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(C=CC(=O)N2CCCC2)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": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "COc1ccc(C=CC(=O)N2CCCC2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1C=CC(O)CN1"
]
} | [
{
"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=C1C=CC(O)CN1",
"role": "assistant"
}
] |
{
"smiles": [
"O=c1c(OC2OCC(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "O=c1c(OC2OCC(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(CO)C(=O)O)C4=O)C3=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": "CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(CO)C(=O)O)C4=O)C3=O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)CCCCCCCCCCCCCCCCCCCCO"
]
} | [
{
"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)CCCCCCCCCCCCCCCCCCCCO",
"role": "assistant"
}
] |
{
"smiles": [
"O=C[O-].O=C[O-].[Cu+2]"
]
} | [
{
"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": "O=C[O-].O=C[O-].[Cu+2]",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C(=O)O)C1CCC2(C)CC(O)CC(O)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": "C=C(C(=O)O)C1CCC2(C)CC(O)CC(O)C2C1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1NC2c3nc4ccccc4c(=O)n3C1CC1(O)c3ccccc3N3C(=O)C4(CC4)N2C31"
]
} | [
{
"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": "O=C1NC2c3nc4ccccc4c(=O)n3C1CC1(O)c3ccccc3N3C(=O)C4(CC4)N2C31",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(C)CCC2(C)C1CCC(O)(CO)C2CO"
]
} | [
{
"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=C1C(C)CCC2(C)C1CCC(O)(CO)C2CO",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1CC23CC1CCC2C1(C=O)CCC(O)C(C)(C(=O)O)C1C3C(=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. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "C=C1CC23CC1CCC2C1(C=O)CCC(O)C(C)(C(=O)O)C1C3C(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"Nc1ncnc2c1C(I)NN2C1OC(CO)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> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "Nc1ncnc2c1C(I)NN2C1OC(CO)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(CN(C)CC2OCCCCC(C)Oc3ccc(NS(C)(=O)=O)cc3C(=O)N(C(C)CO)CC2C)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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COc1ccc(CN(C)CC2OCCCCC(C)Oc3ccc(NS(C)(=O)=O)cc3C(=O)N(C(C)CO)CC2C)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C"
]
} | [
{
"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(NC1)OC1CC3C4CC=C5CC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C=CC(=O)OCC2OC(OC3C(Oc4c(-c5ccc(O)c(O)c5)oc5cc(OC6OC(C)C(O)C(O)C6O)cc(O)c5c4=O)OCC(O)C3O)C(O)C(O)C2O)ccc1O"
]
} | [
{
"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": "COc1cc(C=CC(=O)OCC2OC(OC3C(Oc4c(-c5ccc(O)c(O)c5)oc5cc(OC6OC(C)C(O)C(O)C6O)cc(O)c5c4=O)OCC(O)C3O)C(O)C(O)C2O)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CS(=O)(=O)c1ccc(-n2cc(Cl)c(OC3CCN(c4ncc(Cl)cn4)CC3)cc2=O)c(F)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CS(=O)(=O)c1ccc(-n2cc(Cl)c(OC3CCN(c4ncc(Cl)cn4)CC3)cc2=O)c(F)c1",
"role": "assistant"
}
] |
{
"smiles": [
"Oc1ccc(N2CCN(C(c3ccncc3)c3nnnn3C3CCCC3)CC2)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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "Oc1ccc(N2CCN(C(c3ccncc3)c3nnnn3C3CCCC3)CC2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CN(C(C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2COC1CN(C)C(=O)Nc1ccc(F)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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC1CN(C(C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2COC1CN(C)C(=O)Nc1ccc(F)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3cnc[nH]3)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": "CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3cnc[nH]3)CCC12",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CN(C)C(=O)c2ccc(NC(C)=O)cc2OCC(C)N(C(=O)CN(C)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COC1CN(C)C(=O)c2ccc(NC(C)=O)cc2OCC(C)N(C(=O)CN(C)C)CC1C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C"
]
} | [
{
"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(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CC1C(=O)CC2C1CC(C(C)(C)OC1OC(CO)C(O)C(O)C1O)CCC2(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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1C(=O)CC2C1CC(C(C)(C)OC1OC(CO)C(O)C(O)C1O)CCC2(O)CO",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1CC23CC1CCC2C1(C)CCC(O)C(C)(COC(C)=O)C1CC3O"
]
} | [
{
"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": "C=C1CC23CC1CCC2C1(C)CCC(O)C(C)(COC(C)=O)C1CC3O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=C2CC(C(C)(C)O)CCC2(C)CCC1"
]
} | [
{
"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": "CC1=C2CC(C(C)(C)O)CCC2(C)CCC1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC(CO)C(OC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C(O)COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(=O)NC(CO)C(OC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C(O)COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1NC(C)=O",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)CC(=O)OC1OC=C(CO)C2CC(O)C(O)(COC(=O)C=Cc3ccc(O)cc3)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": "CCC(C)CC(=O)OC1OC=C(CO)C2CC(O)C(O)(COC(=O)C=Cc3ccc(O)cc3)C12",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1C(O)C23CC(C)(O)C(CCC2C(C)(O)C2CC(O)C(C)(C)C12O)C3O"
]
} | [
{
"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(=O)OC1C(O)C23CC(C)(O)C(CCC2C(C)(O)C2CC(O)C(C)(C)C12O)C3O",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1ccc(Cn2nnc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "Cc1ccc(Cn2nnc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1C2=CC(=O)OC2(O)CC2C1CCC1C(C)(C(=O)O)CCCC21C"
]
} | [
{
"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": "CC1C2=CC(=O)OC2(O)CC2C1CCC1C(C)(C(=O)O)CCCC21C",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CC(=O)c2ncc(O)cc21"
]
} | [
{
"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": "CC1CC(=O)c2ncc(O)cc21",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C"
]
} | [
{
"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)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(C)C(=O)OC1CC(C)C2(C)CC3=C(C)C(=O)OC3CC2C1"
]
} | [
{
"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)C(=O)OC1CC(C)C2(C)CC3=C(C)C(=O)OC3CC2C1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCCC(C)=CC(O)CC(C)=CCCC(C)=CCC1=CC(=O)C=C(C)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": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC(C)=CCCC(C)=CC(O)CC(C)=CCCC(C)=CCC1=CC(=O)C=C(C)C1=O",
"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(OC7OC(CO)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)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": "<molecule_2d> What is the SMILES of this molecule?",
"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(OC7OC(CO)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C1CC(C)C(C)(O)C(=O)OCC2CCN(C)CCC(OC1=O)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": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC=C1CC(C)C(C)(O)C(=O)OCC2CCN(C)CCC(OC1=O)C2=O",
"role": "assistant"
}
] |
{
"smiles": [
"O=c1cc(-c2ccc(O)c(O)c2)oc2c(C3OC(CO)C(O)C(O)C3O)cc(O)c(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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "O=c1cc(-c2ccc(O)c(O)c2)oc2c(C3OC(CO)C(O)C(O)C3O)cc(O)c(O)c12",
"role": "assistant"
}
] |
{
"smiles": [
"NCCS"
]
} | [
{
"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": "NCCS",
"role": "assistant"
}
] |
{
"smiles": [
"OCC1OC(OC2C(OCC3OC(OCC4OC(O)C(O)C4O)C(O)C3OC3OC(CO)C(O)C3OC3OC(CO)C(O)C3O)OC(CO)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": "OCC1OC(OC2C(OCC3OC(OCC4OC(O)C(O)C4O)C(O)C3OC3OC(CO)C(O)C3OC3OC(CO)C(O)C3O)OC(CO)C2O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C(C)C=CC1CC(C)C(=O)O1"
]
} | [
{
"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=C(C)C=CC1CC(C)C(=O)O1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)OC2C1CCC1(C)OC13C=CC(=O)OC23C"
]
} | [
{
"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=C1C(=O)OC2C1CCC1(C)OC13C=CC(=O)OC23C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(F)(F)Cl"
]
} | [
{
"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(F)(F)Cl",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(=O)N1CC2(CCN(C(=O)Cc3ccccc3)CC2)c2c(n(C)c3cc(OC)ccc23)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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CCC(=O)N1CC2(CCN(C(=O)Cc3ccccc3)CC2)c2c(n(C)c3cc(OC)ccc23)C1CO",
"role": "assistant"
}
] |
{
"smiles": [
"OCC1OC(OC(CCc2ccc(O)c(O)c2)CC(O)CCc2ccc(O)c(O)c2)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "OCC1OC(OC(CCc2ccc(O)c(O)c2)CC(O)CCc2ccc(O)c(O)c2)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(C)C(=O)OC1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C(O)C(C)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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC=C(C)C(=O)OC1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C(O)C(C)C1C",
"role": "assistant"
}
] |
{
"smiles": [
"CNC(=O)C=CC(C)=CC(C)C(=O)c1ccc(N(C)C)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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CNC(=O)C=CC(C)=CC(C)C(=O)c1ccc(N(C)C)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CN2CC3CCC4CCC(O)C4C45CCC(=O)OCC34CCC1C25O"
]
} | [
{
"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": "CC1CN2CC3CCC4CCC(O)C4C45CCC(=O)OCC34CCC1C25O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CC(O)CC2=CC(O)C(C(CO)C(=O)O)CC21C"
]
} | [
{
"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": "CC1CC(O)CC2=CC(O)C(C(CO)C(=O)O)CC21C",
"role": "assistant"
}
] |
{
"smiles": [
"COc1c(Cl)cc(C=C(O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)N2C(C(=O)NC(CC(C)C)C(=O)N(O)C(C(=O)N3CCCC3C(=O)O)C(C)C)CC(O)C2C)C(C)O)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": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "COc1c(Cl)cc(C=C(O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)N2C(C(=O)NC(CC(C)C)C(=O)N(O)C(C(=O)N3CCCC3C(=O)O)C(C)C)CC(O)C2C)C(C)O)cc1Cl",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=C2C=C3CCC4C(C)(C)CCCC4(C)C3CC2OC1=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": "CC1=C2C=C3CCC4C(C)(C)CCCC4(C)C3CC2OC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CN(C(C)CO)C(=O)CCCn2nncc2COC1CN(C)CC1CCCCC1"
]
} | [
{
"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": "CC1CN(C(C)CO)C(=O)CCCn2nncc2COC1CN(C)CC1CCCCC1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(C(=O)O)cc1CC1C(C)(O)C=CC(=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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COc1ccc(C(=O)O)cc1CC1C(C)(O)C=CC(=O)C1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1OC(C2OC2(C)C)CC1C1CC=C2C1(C)CCC1C3(C)C=CC(=O)C(C)(C)C3CC(O)C21C"
]
} | [
{
"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)OC1OC(C2OC2(C)C)CC1C1CC=C2C1(C)CCC1C3(C)C=CC(=O)C(C)(C)C3CC(O)C21C",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1ccc(-c2nn(CCC(=O)O)cc2C=CC(=O)c2ccc(Br)cc2)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": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "Cc1ccc(-c2nn(CCC(=O)O)cc2C=CC(=O)c2ccc(Br)cc2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C)COC3C2C12COC(OC)(C(=O)OC)C2C1(C)C3OC2(C)C3CC(OC4OC=CC43OC(C)=O)C21O"
]
} | [
{
"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)OC1CC(OC(C)=O)C2(C)COC3C2C12COC(OC)(C(=O)OC)C2C1(C)C3OC2(C)C3CC(OC4OC=CC43OC(C)=O)C21O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CN(C(C)CO)C(=O)CCCn2nncc2COC1CN(C)Cc1cccc(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": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC1CN(C(C)CO)C(=O)CCCn2nncc2COC1CN(C)Cc1cccc(O)c1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(N)=O)C(=O)N2CCCC2C(=O)NC(CCC(=O)OC)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)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": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCCCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(N)=O)C(=O)N2CCCC2C(=O)NC(CCC(=O)OC)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)N1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CCC2C(C)(COC(=O)C(C)C)CCCC2(C)C12CCC(C)(CC(=O)O)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": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC1=CCC2C(C)(COC(=O)C(C)C)CCCC2(C)C12CCC(C)(CC(=O)O)O2",
"role": "assistant"
}
] |
{
"smiles": [
"CC=Cc1ccc(C2C(CO)N3C(=O)CN(C(=O)c4ccncc4)CC23)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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC=Cc1ccc(C2C(CO)N3C(=O)CN(C(=O)c4ccncc4)CC23)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"c1cn[nH]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": "c1cn[nH]n1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CN(C(C)CO)C(=O)c2cccc(N(C)C)c2OC1CN(C)Cc1ccc(Oc2ccccc2)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": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC1CN(C(C)CO)C(=O)c2cccc(N(C)C)c2OC1CN(C)Cc1ccc(Oc2ccccc2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)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": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1NC(Cc2ccccc2)C(=O)N2CCCC2C(=O)Nc2ccccc2C(=O)NC(Cc2ccccc2)C(=O)N2CCCC2C(=O)Nc2ccccc21"
]
} | [
{
"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": "O=C1NC(Cc2ccccc2)C(=O)N2CCCC2C(=O)Nc2ccccc2C(=O)NC(Cc2ccccc2)C(=O)N2CCCC2C(=O)Nc2ccccc21",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCC=CCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC"
]
} | [
{
"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": "CCCCCCC=CCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)SSC=CCOC(=O)CC(C)(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": "CCC(C)SSC=CCOC(=O)CC(C)(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)C1OC(Oc2ccccc2O)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": "O=C(O)C1OC(Oc2ccccc2O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"Nc1cc(S(N)(=O)=O)ccc1[As](=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": "Nc1cc(S(N)(=O)=O)ccc1[As](=O)(O)O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)COCC[N+]1([O-])CCN(C(c2ccccc2)c2ccc(Cl)cc2)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": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "O=C(O)COCC[N+]1([O-])CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)CC(=O)c1oc2c(c1CO)CCC(C)(O)C2O"
]
} | [
{
"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(C)CC(=O)c1oc2c(c1CO)CCC(C)(O)C2O",
"role": "assistant"
}
] |