Datasets:

OpenMol

/

MolInst_FS_125K_SMILES_1_8_MMChat

like 0

{ "selfies": [ "[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]", "[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][N][Branch1][Ring1][C][C][C][C]", "[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]" ], "smiles": [ "CN(C)C(=O)CC(C)(C)CC(=O)O", "CN(C)C(=O)Nc1cccc(N)c1", "C1CCOC1", "CCN(CC)CC", "CS(=O)(=O)Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "CN(C)C(=O)CC(C)(C)CC(=O)Nc1cccc(NC(=O)N(C)C)c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]", "[C][O][B][Branch1][Ring1][O][C][O][C]", "[C][C][C][O][C][Ring1][Branch1]", "[Cl]" ], "smiles": [ "CC(C)=CCCC(C)CCOc1ccc(Br)cc1", "COB(OC)OC", "C1CCOC1", "Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?", "role": "user" }, { "content": "CC(C)=CCCC(C)CCOc1ccc(B(O)O)cc1", "role": "assistant" } ]

{ "selfies": [ "[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F]", "[C][C][C][O][C][Ring1][Branch1]", "[Cl]", "[O]", "[Al+3]", "[H-1]", "[H-1]", "[H-1]", "[H-1]", "[Li+1]" ], "smiles": [ "O=C(O)Cc1ccccc1F", "C1CCOC1", "Cl", "O", "[Al+3]", "[H-]", "[H-]", "[H-]", "[H-]", "[Li+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?", "role": "user" }, { "content": "OCCc1ccccc1F", "role": "assistant" } ]

{ "selfies": [ "[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[C][S][C]" ], "smiles": [ "CN(C)C(=O)c1ccc(N)cc1C(F)(F)F", "C1CCOC1", "CO", "CSC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "CN(C)Cc1ccc(N)cc1C(F)(F)F", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]", "[C][C][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][O][C][Branch1][C][N][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]", "[O]", "[Cl-1]", "[Na+1]" ], "smiles": [ "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C", "CCOc1c(C(C)=O)cc(Cl)c(F)c1C(N)CO[Si](C)(C)C(C)(C)C", "C1CCOC1", "CCN(C(C)C)C(C)C", "O", "[Cl-]", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.", "role": "user" }, { "content": "CCOc1c(C(C)=O)cc(Cl)c(F)c1C(CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C", "role": "assistant" } ]

{ "selfies": [ "[N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O]", "[C][C][C][O][C][Ring1][Branch1]", "[BH4-1]" ], "smiles": [ "Nc1cc(Cl)c(Br)cc1C(=O)O", "C1CCOC1", "[BH4-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?", "role": "user" }, { "content": "Nc1cc(Cl)c(Br)cc1CO", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][#N]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][=Branch1][C][=O][O]", "[C][C][O][C][Branch1][C][C][=O]", "[Fe]" ], "smiles": [ "CC(C)COc1cccc([N+](=O)[O-])c1C#N", "C1CCOC1", "CC(=O)O", "CCOC(C)=O", "[Fe]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?", "role": "user" }, { "content": "CC(C)COc1cccc(N)c1C#N", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][N][Branch1][Ring1][C][C][C][C]", "[C][C][O][C][=Branch1][C][=O][Cl]", "[O]", "[BH4-1]", "[Na+1]" ], "smiles": [ "CC(C)(C)c1ccc(C(=O)O)cc1[N+](=O)[O-]", "C1CCOC1", "CCN(CC)CC", "CCOC(=O)Cl", "O", "[BH4-]", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?", "role": "user" }, { "content": "CC(C)(C)c1ccc(CO)cc1[N+](=O)[O-]", "role": "assistant" } ]

{ "selfies": [ "[N][#C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[O]", "[O][=C][=O]" ], "smiles": [ "N#CCc1ccc([N+](=O)[O-])cc1", "C1CCOC1", "CO", "O", "O=C=O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "N#CCc1ccc(N)cc1", "role": "assistant" } ]

{ "selfies": [ "[N][#C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][O]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[C][Si][Branch1][C][C][Branch1][C][C][Cl]", "[BH4-1]", "[Li+1]" ], "smiles": [ "N#CCc1ccc(C(F)(F)F)c(F)c1", "C1CCOC1", "CO", "C[Si](C)(C)Cl", "[BH4-]", "[Li+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?", "role": "user" }, { "content": "NCCc1ccc(C(F)(F)F)c(F)c1", "role": "assistant" } ]

{ "selfies": [ "[C][=C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[Cl]", "[Na+1]", "[OH1-1]" ], "smiles": [ "C=Cc1ccc(OC(C)=O)cc1", "C1CCOC1", "Cl", "[Na+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "C=Cc1ccc(O)cc1", "role": "assistant" } ]

{ "selfies": [ "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][Ring1][#Branch2]", "[O][C][C][N][C][C][O]", "[C][C][C][O][C][Ring1][Branch1]" ], "smiles": [ "O=[N+]([O-])c1cccc(S(=O)(=O)Cl)c1", "OCCNCCO", "C1CCOC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?", "role": "user" }, { "content": "O=[N+]([O-])c1cccc(S(=O)(=O)N(CCO)CCO)c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][Ring2][C][C][C][=C][Ring1][=N][C][=C][C][=Branch1][C][=O][O][C]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[Li+1]", "[OH1-1]" ], "smiles": [ "CCCc1cc(C(F)(F)F)cc(CCC)c1C=CC(=O)OC", "C1CCOC1", "CO", "[Li+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "CCCc1cc(C(F)(F)F)cc(CCC)c1C=CC(=O)O", "role": "assistant" } ]

{ "selfies": [ "[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]", "[O][=C][Branch1][C][Cl][C][Cl]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][N][Branch1][Ring1][C][C][C][C]" ], "smiles": [ "Cc1ccc(N)cc1[N+](=O)[O-]", "O=C(Cl)CCl", "C1CCOC1", "CCN(CC)CC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "Cc1ccc(NC(=O)CCl)cc1[N+](=O)[O-]", "role": "assistant" } ]

{ "selfies": [ "[C][N][C]", "[C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][C][=C][Ring1][#Branch2][Br]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]" ], "smiles": [ "CNC", "Cc1cc(S(=O)(=O)Cl)ccc1Br", "C1CCOC1", "CCN(C(C)C)C(C)C" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "Cc1cc(S(=O)(=O)N(C)C)ccc1Br", "role": "assistant" } ]

{ "selfies": [ "[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]", "[B]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[C][S][C]", "[Cl][C][Cl]" ], "smiles": [ "CC(=O)Nc1cccc(O)c1", "B", "C1CCOC1", "CO", "CSC", "ClCCl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?", "role": "user" }, { "content": "CCNc1cccc(O)c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[O]", "[Na+1]", "[OH1-1]" ], "smiles": [ "CCN(CC)C(=O)C(C)Nc1ccc(Cl)c(Cl)c1", "C1CCOC1", "O", "[Na+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.", "role": "user" }, { "content": "CCN(CC)CC(C)Nc1ccc(Cl)c(Cl)c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]", "[F][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]", "[C][C][C][O][C][Ring1][Branch1]", "[Li][C][C][C][C]" ], "smiles": [ "CC(C)OB(OC(C)C)OC(C)C", "Fc1ccccc1Br", "C1CCOC1", "[Li]CCCC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "OB(O)c1ccccc1F", "role": "assistant" } ]

{ "selfies": [ "[C][O][B][Branch1][Ring1][O][C][O][C]", "[C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][F]", "[C][C][C][O][C][Ring1][Branch1]", "[Li][C][C][C][C]" ], "smiles": [ "COB(OC)OC", "COc1cc(Br)ccc1F", "C1CCOC1", "[Li]CCCC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?", "role": "user" }, { "content": "COc1cc(B(O)O)ccc1F", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][#N]", "[C][C][C][O][C][Ring1][Branch1]", "[Pd]" ], "smiles": [ "CC(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N", "C1CCOC1", "[Pd]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "CC(C)S(=O)(=O)c1ccc(N)cc1C#N", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][C][O][C][O][C][=C][C][=C][Branch1][=Branch2][C][C][O][C][Branch1][C][C][=O][C][=C][Ring1][N][O][C]", "[C][C][C][O][C][Ring1][Branch1]", "[BH4-1]", "[Cl-1]", "[Li+1]", "[NH4+1]" ], "smiles": [ "COCCOCOc1ccc(CCOC(C)=O)cc1OC", "C1CCOC1", "[BH4-]", "[Cl-]", "[Li+]", "[NH4+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "COCCOCOc1ccc(CCO)cc1OC", "role": "assistant" } ]

{ "selfies": [ "[C][O][B][Branch1][Ring1][O][C][O][C]", "[N][#C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[Cl]", "[Li][C][C][C][C]" ], "smiles": [ "COB(OC)OC", "N#Cc1ccc(Br)cc1", "C1CCOC1", "Cl", "[Li]CCCC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?", "role": "user" }, { "content": "N#Cc1ccc(B(O)O)cc1", "role": "assistant" } ]

{ "selfies": [ "[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O]", "[C][C][C][O][C][Ring1][Branch1]", "[O]" ], "smiles": [ "O=C(O)c1ccc(C(F)(F)F)cc1O", "C1CCOC1", "O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.", "role": "user" }, { "content": "OCc1ccc(C(F)(F)F)cc1O", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]", "[C][C][=C][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][N][=C][Ring1][=Branch2]", "[C][C][C][O][C][Ring1][Branch1]" ], "smiles": [ "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C", "Cc1cc(C)c(O)c(N)c1", "C1CCOC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?", "role": "user" }, { "content": "Cc1cc(C)c(O)c(NC(=O)OC(C)(C)C)c1", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][O][C][Branch1][C][C][=O]", "[O]", "[Li+1]", "[OH1-1]" ], "smiles": [ "COC(=O)CS(=O)(=O)N(C(=O)OC(C)(C)C)c1ccc(OC)c(OC)c1", "C1CCOC1", "CCOC(C)=O", "O", "[Li+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "COc1ccc(N(C(=O)OC(C)(C)C)S(=O)(=O)CC(=O)O)cc1OC", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]", "[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][N][Branch1][Ring1][C][C][C][C]", "[Cl]", "[Cl-1]", "[NH4+1]" ], "smiles": [ "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C", "COC(=O)c1ccccc1CN", "C1CCOC1", "CCN(CC)CC", "Cl", "[Cl-]", "[NH4+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "COC(=O)c1ccccc1CNC(=O)OC(C)(C)C", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=C][C][=C][Branch1][Branch1][C][C][C][=O][C][Branch1][C][F][=C][Ring1][O][F]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][O][C][Branch1][C][C][=O]", "[N]", "[Al+3]", "[H-1]", "[H-1]", "[H-1]", "[H-1]", "[Li+1]" ], "smiles": [ "CCOc1ccc(CCC=O)c(F)c1F", "C1CCOC1", "CCOC(C)=O", "N", "[Al+3]", "[H-]", "[H-]", "[H-]", "[H-]", "[Li+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?", "role": "user" }, { "content": "CCOc1ccc(CCCO)c(F)c1F", "role": "assistant" } ]

{ "selfies": [ "[C][=C][C][=Branch1][C][=O][Cl]", "[N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]", "[C][C][O][C][Branch1][C][C][=O]", "[Cl][C][Cl]" ], "smiles": [ "C=CC(=O)Cl", "Nc1ccc(CO)cc1", "C1CCOC1", "CCN(C(C)C)C(C)C", "CCOC(C)=O", "ClCCl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?", "role": "user" }, { "content": "C=CC(=O)Nc1ccc(CO)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][=C][Ring1][=C]", "[C][C][C][O][C][Ring1][Branch1]", "[Al+3]", "[H-1]", "[H-1]", "[H-1]", "[H-1]", "[Li+1]" ], "smiles": [ "COC(=O)c1ccc(NC(=O)N(C)CCO)cc1", "C1CCOC1", "[Al+3]", "[H-]", "[H-]", "[H-]", "[H-]", "[Li+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?", "role": "user" }, { "content": "CN(CCO)C(=O)Nc1ccc(CO)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]", "[N][C][=C][C][=C][C][=C][Ring1][=Branch1][O]", "[C][C][C][O][C][Ring1][Branch1]" ], "smiles": [ "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C", "Nc1ccccc1O", "C1CCOC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?", "role": "user" }, { "content": "CC(C)(C)OC(=O)Nc1ccccc1O", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]", "[N][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]", "[C][C][C][O][C][Ring1][Branch1]" ], "smiles": [ "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C", "NCCc1ccc(N)cc1", "C1CCOC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d> .", "role": "user" }, { "content": "CC(C)(C)OC(=O)NCCc1ccc(N)cc1", "role": "assistant" } ]

{ "selfies": [ "[O][=C][Branch1][C][O][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][Branch1][C][F][=C][Ring1][#Branch2][F]", "[C][C][C][O][C][Ring1][Branch1]", "[Cl][C][Cl]", "[O]", "[O][=C][Branch1][C][O-1][O]", "[BH4-1]", "[Na+1]", "[Na+1]" ], "smiles": [ "O=C(O)Cc1c([N+](=O)[O-])ccc(F)c1F", "C1CCOC1", "ClCCl", "O", "O=C([O-])O", "[BH4-]", "[Na+]", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?", "role": "user" }, { "content": "O=[N+]([O-])c1ccc(F)c(F)c1CCO", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][O][C][Branch1][C][C][=O]", "[BH4-1]", "[Li+1]" ], "smiles": [ "CCOC(=O)Cc1cccc(CCN(CCOC)C(=O)OC(C)(C)C)c1", "C1CCOC1", "CCOC(C)=O", "[BH4-]", "[Li+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.", "role": "user" }, { "content": "COCCN(CCc1cccc(CCO)c1)C(=O)OC(C)(C)C", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][O][C][C][=C][Ring1][O]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[O]", "[O]", "[Li+1]", "[OH1-1]" ], "smiles": [ "COC(=O)c1ccc(C(C)(C)OC)cc1", "C1CCOC1", "CO", "O", "O", "[Li+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?", "role": "user" }, { "content": "COC(C)(C)c1ccc(C(=O)O)cc1", "role": "assistant" } ]

{ "selfies": [ "[N][#C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[B]", "[C][C][C][O][C][Ring1][Branch1]" ], "smiles": [ "N#CCC(O)c1ccccc1", "B", "C1CCOC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "NCCC(O)c1ccccc1", "role": "assistant" } ]

{ "selfies": [ "[C][=C][Branch1][C][C][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[Al+3]", "[H-1]", "[H-1]", "[H-1]", "[H-1]", "[Li+1]" ], "smiles": [ "C=C(C)C(CC(=O)OC)c1ccccc1", "C1CCOC1", "[Al+3]", "[H-]", "[H-]", "[H-]", "[H-]", "[Li+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?", "role": "user" }, { "content": "C=C(C)C(CCO)c1ccccc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]", "[C][C][C][O][C][Ring1][Branch1]", "[Pd]" ], "smiles": [ "Cc1cccc(C(=O)O)c1[N+](=O)[O-]", "C1CCOC1", "[Pd]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?", "role": "user" }, { "content": "Cc1cccc(C(=O)O)c1N", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]", "[C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[Cl]", "[Mg]" ], "smiles": [ "CC(C)OB(OC(C)C)OC(C)C", "COc1ccc(Br)cc1", "C1CCOC1", "Cl", "[Mg]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?", "role": "user" }, { "content": "COc1ccc(B(O)O)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][C][O][C][Cl]", "[C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=O]", "[C][C][C][O][C][Ring1][Branch1]", "[C][N][Branch1][C][C][C][=O]", "[O]", "[H-1]", "[Na+1]" ], "smiles": [ "COCCOCCl", "COc1cc(O)ccc1C=O", "C1CCOC1", "CN(C)C=O", "O", "[H-]", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.", "role": "user" }, { "content": "COCCOCOc1ccc(C=O)c(OC)c1", "role": "assistant" } ]

{ "selfies": [ "[O][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]", "[B]", "[C][C][C][O][C][Ring1][Branch1]", "[Cl]" ], "smiles": [ "O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]", "B", "C1CCOC1", "Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?", "role": "user" }, { "content": "O=[N+]([O-])c1ccc(Cl)cc1CO", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]", "[C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][N][Branch1][Ring1][C][C][C][C]" ], "smiles": [ "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C", "CC(O)c1cccc(N)c1", "C1CCOC1", "CCN(CC)CC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .", "role": "user" }, { "content": "CC(O)c1cccc(NC(=O)OC(C)(C)C)c1", "role": "assistant" } ]

{ "selfies": [ "[C][Si][Branch1][C][C][Branch1][C][C][C][#C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][Br][=C][Ring1][O][N]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][C][C][N+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C]", "[O]", "[F-1]" ], "smiles": [ "C[Si](C)(C)C#Cc1cc(C(F)(F)F)cc(Br)c1N", "C1CCOC1", "CCCC[N+](CCCC)(CCCC)CCCC", "O", "[F-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.", "role": "user" }, { "content": "C#Cc1cc(C(F)(F)F)cc(Br)c1N", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][Cl]", "[O][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[C][N][Branch1][C][C][C][=O]", "[H-1]", "[Na+1]" ], "smiles": [ "COCCl", "O=Cc1ccc(O)c(O)c1", "C1CCOC1", "CN(C)C=O", "[H-]", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "COCOc1ccc(C=O)cc1O", "role": "assistant" } ]

{ "selfies": [ "[C][N]", "[N][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]", "[C][C][C][O][C][Ring1][Branch1]" ], "smiles": [ "CN", "N#Cc1ccc(F)c([N+](=O)[O-])c1", "C1CCOC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "CNc1ccc(C#N)cc1[N+](=O)[O-]", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][C][=Branch1][C][=O][O]", "[C][C][C][O][C][Ring1][Branch1]", "[Al+3]", "[H-1]", "[H-1]", "[H-1]", "[H-1]", "[Li+1]" ], "smiles": [ "COc1ccc(F)c(F)c1CC(=O)O", "C1CCOC1", "[Al+3]", "[H-]", "[H-]", "[H-]", "[H-]", "[Li+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "COc1ccc(F)c(F)c1CCO", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][O][C][C]", "[Al+3]", "[H-1]", "[H-1]", "[H-1]", "[H-1]", "[Li+1]" ], "smiles": [ "CC(C(=O)O)c1ccc(F)cc1", "C1CCOC1", "CCOCC", "[Al+3]", "[H-]", "[H-]", "[H-]", "[H-]", "[Li+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.", "role": "user" }, { "content": "CC(CO)c1ccc(F)cc1", "role": "assistant" } ]

{ "selfies": [ "[Br][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][O][C][=Branch1][C][=O][N][C][C][N]", "[C][C][C][O][C][Ring1][Branch1]", "[O][=C][Branch1][C][O-1][O-1]", "[K+1]", "[K+1]" ], "smiles": [ "BrCCCc1ccccc1", "CCOC(=O)NCCN", "C1CCOC1", "O=C([O-])[O-]", "[K+]", "[K+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "CCOC(=O)NCCNCCCc1ccccc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][C][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][#N]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[Cl]", "[Cl][C][Cl]", "[O]", "[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]", "[BH4-1]", "[Na+1]" ], "smiles": [ "CCOC(=O)CCNCCc1cc(OC)c(OC)cc1CC#N", "C1CCOC1", "CO", "Cl", "ClCCl", "O", "O=C(O)C(=O)O", "[BH4-]", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.", "role": "user" }, { "content": "COc1cc(CC#N)c(CCNCCCO)cc1OC", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]", "[C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][F]", "[C][C][C][O][C][Ring1][Branch1]" ], "smiles": [ "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C", "Cc1c(N)cccc1F", "C1CCOC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?", "role": "user" }, { "content": "Cc1c(F)cccc1NC(=O)OC(C)(C)C", "role": "assistant" } ]

{ "selfies": [ "[C][O]", "[N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N]", "[C][C][C][O][C][Ring1][Branch1]", "[C][Si][Branch1][C][C][Branch1][C][C][C][=N+1][=N-1]" ], "smiles": [ "CO", "Nc1ccc(C(=O)O)c(C(F)(F)F)c1", "C1CCOC1", "C[Si](C)(C)C=[N+]=[N-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?", "role": "user" }, { "content": "COC(=O)c1ccc(N)cc1C(F)(F)F", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][C][N][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][P]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][C][C][N+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C]", "[Cl-1]", "[F-1]", "[NH4+1]" ], "smiles": [ "COc1ccc(OC)c(NCCCCCCCCCCCCCCCCO[Si](C)(C)C(C)(C)C)c1", "C1CCOC1", "CCCC[N+](CCCC)(CCCC)CCCC", "[Cl-]", "[F-]", "[NH4+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?", "role": "user" }, { "content": "COc1ccc(OC)c(NCCCCCCCCCCCCCCCCO)c1", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][O][C][C][=C][Ring1][O]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][O][C][C]", "[C][O]", "[Li+1]", "[OH1-1]" ], "smiles": [ "COC(=O)c1ccc(C(C)(C)OC)cc1", "C1CCOC1", "CCOCC", "CO", "[Li+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?", "role": "user" }, { "content": "COC(C)(C)c1ccc(C(=O)O)cc1", "role": "assistant" } ]

{ "selfies": [ "[N][#C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]", "[B]", "[C][C][C][O][C][Ring1][Branch1]" ], "smiles": [ "N#CCc1c(F)cccc1F", "B", "C1CCOC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "NCCc1c(F)cccc1F", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][N]", "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][Cl]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][N][Branch1][Ring1][C][C][C][C]" ], "smiles": [ "CCCN", "O=[N+]([O-])c1ccccc1S(=O)(=O)Cl", "C1CCOC1", "CCN(CC)CC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]", "role": "assistant" } ]

{ "selfies": [ "[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]", "[O][C][C][C][O][C][Ring1][Branch1]", "[Cl]" ], "smiles": [ "Cc1ccc(S(=O)(=O)Cl)cc1", "OC1CCOC1", "Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?", "role": "user" }, { "content": "Cc1ccc(S(=O)(=O)OC2CCOC2)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][N]", "[O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][C][Branch1][C][F][=C][Ring1][O][F]", "[C][C][C][O][C][Ring1][Branch1]", "[Cl]", "[Na+1]", "[OH1-1]" ], "smiles": [ "CCN", "O=C(O)c1cc(S(=O)(=O)Cl)cc(F)c1F", "C1CCOC1", "Cl", "[Na+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.", "role": "user" }, { "content": "CCNS(=O)(=O)c1cc(F)c(F)c(C(=O)O)c1", "role": "assistant" } ]

{ "selfies": [ "[C][O]", "[O][=C][Branch1][C][O][C][C][C][O][C][Ring1][Branch1]", "[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]" ], "smiles": [ "CO", "O=C(O)C1CCOC1", "Cc1ccc(S(=O)(=O)O)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?", "role": "user" }, { "content": "COC(=O)C1CCOC1", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[Cl]", "[O]", "[BH4-1]", "[Na+1]" ], "smiles": [ "CCCC(O)c1ccc(C=O)cc1", "C1CCOC1", "CO", "Cl", "O", "[BH4-]", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?", "role": "user" }, { "content": "CCCC(O)c1ccc(CO)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]", "[C][C][C][O][C][Ring1][Branch1]" ], "smiles": [ "CC(O)CCCc1ccccc1", "CS(=O)(=O)Cl", "C1CCOC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.", "role": "user" }, { "content": "CC(CCCc1ccccc1)OS(C)(=O)=O", "role": "assistant" } ]

{ "selfies": [ "[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][I][=C][Ring1][Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]" ], "smiles": [ "O=C(O)c1ccc(Cl)c(I)c1", "C1CCOC1", "CO" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "OCc1ccc(Cl)c(I)c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][N]", "[O][=C][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][N][Branch1][Ring1][C][C][C][C]", "[O]" ], "smiles": [ "CC(C)(C)N", "O=C(Cl)c1ccc(Br)cc1", "C1CCOC1", "CCN(CC)CC", "O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?", "role": "user" }, { "content": "CC(C)(C)NC(=O)c1ccc(Br)cc1", "role": "assistant" } ]

{ "selfies": [ "[N][#C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][O]", "[O][=S][Branch1][C][Cl][Cl]", "[BH4-1]", "[Na+1]" ], "smiles": [ "N#CCCC(C(=O)O)c1ccccc1C(F)(F)F", "C1CCOC1", "CCO", "O=S(Cl)Cl", "[BH4-]", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?", "role": "user" }, { "content": "N#CCCC(CO)c1ccccc1C(F)(F)F", "role": "assistant" } ]

{ "selfies": [ "[C][C][O]", "[N][#C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][Branch1][C][C][Branch1][C][C][O-1]", "[Cl][C][Branch1][C][Cl][Cl]", "[O]", "[Na+1]" ], "smiles": [ "CCO", "N#Cc1c(F)cccc1Cl", "C1CCOC1", "CC(C)(C)[O-]", "ClC(Cl)Cl", "O", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "CCOc1cccc(Cl)c1C#N", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][O][C]", "[C][C][C][O][C][Ring1][Branch1]", "[O]" ], "smiles": [ "COc1ccc(CC(=O)O)cc1OC", "C1CCOC1", "O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?", "role": "user" }, { "content": "COc1ccc(CCO)cc1OC", "role": "assistant" } ]

{ "selfies": [ "[C][C][N][Branch1][#Branch1][C][C][O][C][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]", "[C][N][Branch1][C][C][C][=O]", "[C][C][C][O][C][Ring1][Branch1]", "[O]", "[Li][C][C][C][C]" ], "smiles": [ "CCN(CCOCOC)c1ccc(Br)cc1", "CN(C)C=O", "C1CCOC1", "O", "[Li]CCCC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?", "role": "user" }, { "content": "CCN(CCOCOC)c1ccc(C=O)cc1", "role": "assistant" } ]

{ "selfies": [ "[O][=C][Branch1][C][O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][Cl]", "[C][C][C][O][C][Ring1][Branch1]", "[Cl-1]", "[NH4+1]", "[Zn]" ], "smiles": [ "O=C(O)c1c(Cl)ccc([N+](=O)[O-])c1Cl", "C1CCOC1", "[Cl-]", "[NH4+]", "[Zn]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "Nc1ccc(Cl)c(C(=O)O)c1Cl", "role": "assistant" } ]

{ "selfies": [ "[N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[C][O][B][Branch1][Ring1][O][C][O][C]" ], "smiles": [ "Nc1cc(C(F)(F)F)ccc1C(=O)O", "C1CCOC1", "CO", "COB(OC)OC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "Nc1cc(C(F)(F)F)ccc1CO", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]", "[C][O][C][C][C][N][C][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[Na+1]", "[OH1-1]" ], "smiles": [ "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C", "COCCCNCCCc1ccc(Br)cc1", "C1CCOC1", "[Na+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?", "role": "user" }, { "content": "COCCCN(CCCc1ccc(Br)cc1)C(=O)OC(C)(C)C", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]", "[C][C][C][O][C][Ring1][Branch1]" ], "smiles": [ "CC(C)(C)OC(=O)NCCc1ccc(C(=O)O)cc1", "C1CCOC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?", "role": "user" }, { "content": "CC(C)(C)OC(=O)NCCc1ccc(CO)cc1", "role": "assistant" } ]

{ "selfies": [ "[N-1][=N+1][=N][C][C][Branch1][C][O][C][O][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[Al+3]", "[H-1]", "[H-1]", "[H-1]", "[H-1]", "[Li+1]" ], "smiles": [ "[N-]=[N+]=NCC(O)COCCCCCCCc1ccccc1", "C1CCOC1", "[Al+3]", "[H-]", "[H-]", "[H-]", "[H-]", "[Li+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "NCC(O)COCCCCCCCc1ccccc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][Branch1][C][C][C][Al+1][C][C][Branch1][C][C][C]", "[Cl]", "[H-1]" ], "smiles": [ "CCOC(=O)CCc1ccc(NC(=O)OC(C)(C)C)cc1", "C1CCOC1", "CC(C)C[Al+]CC(C)C", "Cl", "[H-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "CC(C)(C)OC(=O)Nc1ccc(CCCO)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C]", "[I][I]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][C][C][C]", "[C][N][Branch1][C][C][C][C][N][Branch1][C][C][C]", "[O][=S][=Branch1][C][=O][Branch1][C][O][O]", "[Li][C][C][C][C]" ], "smiles": [ "Cc1ccc(CO)cc1C", "II", "C1CCOC1", "CCCCC", "CN(C)CCN(C)C", "O=S(=O)(O)O", "[Li]CCCC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?", "role": "user" }, { "content": "Cc1cc(I)c(CO)cc1C", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]", "[C][C][Branch1][C][C][Si][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]", "[C][C][C][O][C][Ring1][Branch1]", "[Li][C][C][C][C]" ], "smiles": [ "CC(C)OB(OC(C)C)OC(C)C", "CC(C)[Si](Oc1ccc(Br)cc1)(C(C)C)C(C)C", "C1CCOC1", "[Li]CCCC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "CC(C)[Si](Oc1ccc(B(O)O)cc1)(C(C)C)C(C)C", "role": "assistant" } ]

{ "selfies": [ "[O][=C][Branch1][C][O][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F]", "[C][C][C][O][C][Ring1][Branch1]", "[O]" ], "smiles": [ "O=C(O)c1c(F)cc(F)cc1F", "C1CCOC1", "O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "OCc1c(F)cc(F)cc1F", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C]", "[C][C][C][O][C][Ring1][Branch1]", "[O]", "[Al+3]", "[H-1]", "[H-1]", "[H-1]", "[H-1]", "[Li+1]", "[Na+1]", "[OH1-1]" ], "smiles": [ "CCc1cc(C)ccc1C(=O)OC", "C1CCOC1", "O", "[Al+3]", "[H-]", "[H-]", "[H-]", "[H-]", "[Li+]", "[Na+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?", "role": "user" }, { "content": "CCc1cc(C)ccc1CO", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][O][C]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[Li+1]", "[OH1-1]" ], "smiles": [ "CCCOc1cc(C(F)(F)F)ccc1C=CC(=O)OC", "C1CCOC1", "CO", "[Li+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?", "role": "user" }, { "content": "CCCOc1cc(C(F)(F)F)ccc1C=CC(=O)O", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[Al+3]", "[H-1]", "[H-1]", "[H-1]", "[H-1]", "[Li+1]" ], "smiles": [ "COC(=O)C(F)(F)c1ccccc1", "C1CCOC1", "[Al+3]", "[H-]", "[H-]", "[H-]", "[H-]", "[Li+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "OCC(F)(F)c1ccccc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][I]", "[O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Cl][=C][Ring1][Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[C][N][Branch1][C][C][C][=O]", "[H-1]", "[Na+1]" ], "smiles": [ "CCI", "Oc1ccc(Br)c(Cl)c1", "C1CCOC1", "CN(C)C=O", "[H-]", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?", "role": "user" }, { "content": "CCOc1ccc(Br)c(Cl)c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][N]", "[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F]", "[C][C][C][O][C][Ring1][Branch1]" ], "smiles": [ "CC(C)(C)N", "O=S(=O)(Cl)c1cc(Cl)ccc1F", "C1CCOC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.", "role": "user" }, { "content": "CC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1F", "role": "assistant" } ]

{ "selfies": [ "[C][N][C][Branch1][C][C][C]", "[N][#C][C][=C][C][=C][Branch1][Ring1][C][Br][C][=C][Ring1][Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][N][Branch1][Ring1][C][C][C][C]", "[C][C][O][C][Branch1][C][C][=O]", "[O]" ], "smiles": [ "CNC(C)C", "N#Cc1ccc(CBr)cc1", "C1CCOC1", "CCN(CC)CC", "CCOC(C)=O", "O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "CC(C)N(C)Cc1ccc(C#N)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][F][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][F]", "[C][N][Branch1][C][C][C][=O]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][Branch1][C][C][N][C][Branch1][C][C][C]", "[C][C][Branch1][C][C][N-1][C][Branch1][C][C][C]", "[Li+1]", "[Li][C][C][C][C]" ], "smiles": [ "CC(C)(C)C(=O)Oc1c(F)cc(Br)cc1F", "CN(C)C=O", "C1CCOC1", "CC(C)NC(C)C", "CC(C)[N-]C(C)C", "[Li+]", "[Li]CCCC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "CC(C)(C)C(=O)Oc1c(F)cc(Br)c(C=O)c1F", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[Cl]", "[Al+3]", "[H-1]", "[H-1]", "[H-1]", "[H-1]", "[Li+1]" ], "smiles": [ "CCOC(=O)C(C)Cc1cccc(C)c1", "C1CCOC1", "Cl", "[Al+3]", "[H-]", "[H-]", "[H-]", "[H-]", "[Li+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "Cc1cccc(CC(C)CO)c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][P]", "[C][C][C][O][C][Ring1][Branch1]", "[O]" ], "smiles": [ "CC(C)(C)OC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(=O)O)c1", "C1CCOC1", "O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "CC(C)(C)OC(=O)Nc1cc(CO)cc(NC(=O)OC(C)(C)C)c1", "role": "assistant" } ]

{ "selfies": [ "[C][N]", "[O][=C][Branch1][C][Cl][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[O]" ], "smiles": [ "CN", "O=C(Cl)Cc1ccc(F)cc1", "C1CCOC1", "O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "CNC(=O)Cc1ccc(F)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch1][Ring2][O][C][C][=C][Ring1][O][O][C]", "[C][C][C][O][C][Ring1][Branch1]", "[O][=Mn][=O]" ], "smiles": [ "CCOc1cc(CO)cc(OCC)c1OC", "C1CCOC1", "O=[Mn]=O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.", "role": "user" }, { "content": "CCOc1cc(C=O)cc(OCC)c1OC", "role": "assistant" } ]

{ "selfies": [ "[C][S][=Branch1][C][=O][=Branch1][=C][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][Branch1][C][C][O][C][Branch1][C][C][C]", "[C][C][O]", "[Pd]" ], "smiles": [ "CS(=O)(=NC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1", "C1CCOC1", "CC(C)OC(C)C", "CCO", "[Pd]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?", "role": "user" }, { "content": "CS(=O)(=NC(=O)C(F)(F)F)c1ccc(N)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[Cl]" ], "smiles": [ "CC(C)Oc1ccc(C(=O)O)cc1C(F)(F)F", "C1CCOC1", "CO", "Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?", "role": "user" }, { "content": "CC(C)Oc1ccc(CO)cc1C(F)(F)F", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]", "[C][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C]", "[C][C][C][O][C][Ring1][Branch1]", "[Cl-1]", "[Li][C][C][C][C]", "[NH4+1]" ], "smiles": [ "CC(C)OB(OC(C)C)OC(C)C", "COc1ccc(Br)c(NC(=O)C(C)(C)C)c1", "C1CCOC1", "[Cl-]", "[Li]CCCC", "[NH4+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?", "role": "user" }, { "content": "COc1ccc(B(O)O)c(NC(=O)C(C)(C)C)c1", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch1][C][F][Branch1][C][F][F]", "[C][C][C][O][C][Ring1][Branch1]", "[BH4-1]", "[Li+1]" ], "smiles": [ "COC(=O)C(NS(=O)(=O)c1ccc(Cl)cc1)C(CC(F)(F)F)CC(F)(F)F", "C1CCOC1", "[BH4-]", "[Li+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?", "role": "user" }, { "content": "O=S(=O)(NC(CO)C(CC(F)(F)F)CC(F)(F)F)c1ccc(Cl)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][N][Branch1][C][C][C][=O]", "[C][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[Cl-1]", "[Li][C][C][C][C]", "[NH4+1]" ], "smiles": [ "CN(C)C=O", "COc1ccc(Br)c(F)c1", "C1CCOC1", "[Cl-]", "[Li]CCCC", "[NH4+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .", "role": "user" }, { "content": "COc1ccc(C=O)c(F)c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]", "[C][C][C][Branch1][C][O][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][C][C][C][C]", "[Li][C][C][C][C]" ], "smiles": [ "CC(C)OB(OC(C)C)OC(C)C", "CCC(O)(CC)c1ccc(Br)c(C)c1", "C1CCOC1", "CCCCCC", "[Li]CCCC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>", "role": "user" }, { "content": "CCC(O)(CC)c1ccc(B(O)O)c(C)c1", "role": "assistant" } ]

{ "selfies": [ "[C][N][C]", "[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][N][Branch1][Ring1][C][C][C][C]", "[Cl]", "[O][=C][Branch1][C][O-1][O]", "[Na+1]" ], "smiles": [ "CNC", "O=S(=O)(Cl)c1cccc(Br)c1", "C1CCOC1", "CCN(CC)CC", "Cl", "O=C([O-])O", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?", "role": "user" }, { "content": "CN(C)S(=O)(=O)c1cccc(Br)c1", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][=C][Ring1][O]", "[C][C][C][O][C][Ring1][Branch1]", "[O]", "[O]", "[Li+1]", "[OH1-1]" ], "smiles": [ "COC(=O)c1cc(F)cc(CN(C)C)c1", "C1CCOC1", "O", "O", "[Li+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.", "role": "user" }, { "content": "CN(C)Cc1cc(F)cc(C(=O)O)c1", "role": "assistant" } ]

{ "selfies": [ "[N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[H][H]", "[Pd]" ], "smiles": [ "Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O", "C1CCOC1", "CO", "[H][H]", "[Pd]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?", "role": "user" }, { "content": "Nc1ccc(N)c(S(N)(=O)=O)c1", "role": "assistant" } ]

{ "selfies": [ "[F][C][=C][C][=C][Branch1][Ring1][C][Br][C][=C][Ring1][Branch2][F]", "[O][C][C][C][C][C][C][C][C][O]", "[C][C][C][O][C][Ring1][Branch1]", "[C][N][Branch1][C][C][C][=O]", "[C][N][Branch1][C][C][C][=O]", "[H-1]", "[Na+1]" ], "smiles": [ "Fc1ccc(CBr)cc1F", "OCCCCCCCCO", "C1CCOC1", "CN(C)C=O", "CN(C)C=O", "[H-]", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.", "role": "user" }, { "content": "OCCCCCCCCOCc1ccc(F)c(F)c1", "role": "assistant" } ]

{ "selfies": [ "[C][C][=Branch1][C][=O][C][C][N]", "[O][=C][Branch1][C][Cl][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][=Branch1][C][=O][N][Branch1][C][C][C]", "[C][C][N][Branch1][Ring1][C][C][C][C]", "[C][C][O][C][Branch1][C][C][=O]", "[Cl]", "[O][=C][Branch1][C][O-1][O]", "[Na+1]" ], "smiles": [ "CC(=O)CCN", "O=C(Cl)Cc1ccc(F)cc1", "C1CCOC1", "CC(=O)N(C)C", "CCN(CC)CC", "CCOC(C)=O", "Cl", "O=C([O-])O", "[Na+]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .", "role": "user" }, { "content": "CC(=O)CCNC(=O)Cc1ccc(F)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][=C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][O][C][C]", "[O]", "[Na+1]", "[OH1-1]" ], "smiles": [ "C=Cc1ccc(C(=O)OC)cc1", "C1CCOC1", "CCOCC", "O", "[Na+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?", "role": "user" }, { "content": "C=Cc1ccc(C(=O)O)cc1", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]", "[C][C][C][O][C][Ring1][Branch1]", "[O]", "[O]", "[Li][O]" ], "smiles": [ "COC(=O)C(CNC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1", "C1CCOC1", "O", "O", "[Li]O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .", "role": "user" }, { "content": "CC(C)(C)OC(=O)NCC(Cc1ccc(Cl)cc1)C(=O)O", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][=Branch1][C][=O][N][=S][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]", "[B]", "[C][C][C][O][C][Ring1][Branch1]", "[C][O]", "[Cl][C][Cl]", "[O]" ], "smiles": [ "CCC(=O)N=S(C)(=O)c1ccc([N+](=O)[O-])cc1", "B", "C1CCOC1", "CO", "ClCCl", "O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .", "role": "user" }, { "content": "CCCN=S(C)(=O)c1ccc([N+](=O)[O-])cc1", "role": "assistant" } ]

{ "selfies": [ "[C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C]", "[C][C][C][O][C][Ring1][Branch1]", "[C][C][O][C][C]", "[C][O]", "[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]", "[Li+1]", "[OH1-1]" ], "smiles": [ "CC(=O)Oc1cc(I)ccc1OC(C)C", "C1CCOC1", "CCOCC", "CO", "O=C(O)CC(O)(CC(=O)O)C(=O)O", "[Li+]", "[OH-]" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.", "role": "system" }, { "content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.", "role": "user" }, { "content": "CC(C)Oc1ccc(I)cc1O", "role": "assistant" } ]