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RCR_SP_70K_SMILES-MMChat

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OpenMol 3

{ "selfies": [ "[C][=C][O][C][C][C][Ring1][=Branch1]", "[O][C][C][C][C][C][C][C][C][C][C][C][C][Br]", "[Br][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][C][C][C][O][Ring1][=Branch1]" ], "smiles": [ "C1=COCCC1", "OCCCCCCCCCCCCBr", "BrCCCCCCCCCCCCOC1CCCCO1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: CCCCCC .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F]", "[O][=N+1][Branch1][C][O-1][O]", "[C][C][O][C][=Branch1][C][=O][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][O][F]" ], "smiles": [ "CCOC(=O)Oc1ccc(F)c(F)c1F", "O=[N+]([O-])O", "CCOC(=O)Oc1cc([N+](=O)[O-])c(F)c(F)c1F" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be O=S(=O)(O)O .", "role": "assistant" } ]

{ "selfies": [ "[Br][C][Branch1][C][Br][Branch1][C][Br][Br]", "[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][Ring2][C][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C]", "[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][Ring2][C][C][Br][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C]" ], "smiles": [ "BrC(Br)(Br)Br", "CCN(CC)C(=O)c1ccc(C(CCO)c2cccc(OC)c2)cc1", "CCN(CC)C(=O)c1ccc(C(CCBr)c2cccc(OC)c2)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CC#N .", "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][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S]", "[C][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S][C][=C][Ring2][Ring1][#Branch2]" ], "smiles": [ "Cc1ccc(S(=O)(=O)Cl)cc1", "OC1Cc2ccccc2C(C2CCCCC2)C1", "Cc1ccc(S(=O)(=O)OC2Cc3ccccc3C(C3CCCCC3)C2)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be c1ccncc1 .", "role": "assistant" } ]

{ "selfies": [ "[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=Branch1][C][=O][O][C][C][=C][Ring1][N]", "[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][C][=Branch1][C][=O][O][C][=C][Ring1][O]" ], "smiles": [ "CNC(=O)c1ccc(C=CC(=O)OC)cc1", "CNC(=O)c1ccc(C=CC(=O)O)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CO .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]", "[O][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]" ], "smiles": [ "COC(=O)C(O)c1cccc(Cl)c1", "OCC(O)c1cccc(Cl)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.", "role": "user" }, { "content": "CO .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][Cl]", "[N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][Cl]", "[C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][Cl]" ], "smiles": [ "Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Cl", "Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl", "Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "c1ccncc1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=C][C][Branch1][C][O][=C][C][C][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][N][Branch1][C][C][C][Ring2][Ring1][C][=Ring1][=N]", "[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]", "[C][C][=C][C][Branch2][Ring1][Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][C][C][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][N][Branch1][C][C][C][Ring2][Ring1][=N][=Ring1][=N]" ], "smiles": [ "Cc1cc(O)cc2c(C3CCN(C)CC3)cn(C)c12", "O=S(=O)(Cl)c1c(F)cccc1F", "Cc1cc(OS(=O)(=O)c2c(F)cccc2F)cc2c(C3CCN(C)CC3)cn(C)c12" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "C1CCOC1.O .", "role": "assistant" } ]

{ "selfies": [ "[C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C]", "[C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][O][=C][Ring1][Branch2]", "[C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Cl]" ], "smiles": [ "COS(=O)(=O)OC", "Cc1ccc(Cl)c(O)c1", "COc1cc(C)ccc1Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "C1CCOC1.O .", "role": "assistant" } ]

{ "selfies": [ "[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]", "[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl]", "[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring2]" ], "smiles": [ "O=C(O)c1cccc(O)c1", "O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl", "O=C(O)c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?", "role": "user" }, { "content": "A possible solvent can be CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Cl]", "[O][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O]", "[O][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O][Cl]" ], "smiles": [ "O=C1CCC(=O)N1Cl", "Oc1ccc2cc(Br)ccc2c1", "Oc1ccc2cc(Br)ccc2c1Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C]", "[C][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][C][C][Ring1][#Branch1]" ], "smiles": [ "CNC(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2", "CNC(=O)Nc1nc2c(s1)CNCC2" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: ClC(Cl)Cl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][P][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F]", "[C][C][Branch1][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F]" ], "smiles": [ "CC(C)(Oc1ccc([N+](=O)[O-])cc1)C(F)(F)F", "CC(C)(Oc1ccc(N)cc1)C(F)(F)F" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "CO .", "role": "assistant" } ]

{ "selfies": [ "[O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]", "[O][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]" ], "smiles": [ "OCc1cc2ccccc2[nH]1", "O=Cc1cc2ccccc2[nH]1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][N][C][C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][Ring1][N][=O]", "[C][N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Ring1][Branch2][=O]" ], "smiles": [ "CN1CC(C(=O)OC(C)(C)C)NC1=O", "CN1CC(C(=O)O)NC1=O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "ClCCl.O=C(O)C(F)(F)F .", "role": "assistant" } ]

{ "selfies": [ "[C][N][C][=C][C][Branch2][Ring1][Ring1][N][C][=N][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1][=N][Ring1][P]", "[F][C][=N][C][=C][Branch1][O][O][C][C][C][O][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][Cl]", "[C][N][C][=C][C][Branch2][Ring2][O][N][C][=N][C][=N][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][O][O][C][C][C][O][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][Cl][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][S]" ], "smiles": [ "Cn1ccc(Nc2ncnc3ccc(O)cc23)n1", "Fc1ncc(OCCC2OCCO2)cc1Cl", "Cn1ccc(Nc2ncnc3ccc(Oc4ncc(OCCC5OCCO5)cc4Cl)cc23)n1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "CC(=O)N(C)C .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Branch1][C][F][C][=N][N][Ring1][=Branch1][C]", "[C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Branch1][C][F][C][=N][N][Ring1][=Branch1][C]" ], "smiles": [ "COc1ccc([N+](=O)[O-])cc1-c1c(F)cnn1C", "COc1ccc(N)cc1-c1c(F)cnn1C" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CCO .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1]", "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1]" ], "smiles": [ "COc1ccccc1N1CCN(CCC(C(=O)C2CCCCC2)c2ccccc2)CC1", "COc1ccccc1N1CCN(CCC(c2ccccc2)C(O)C2CCCCC2)CC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be Cc1ccccc1.ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][O]", "[N][#C][C][=C][N][=C][C][Branch1][=C][S][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][=C][Ring1][#C]", "[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][=C][C][=C][C][Branch1][=C][S][C][=C][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][Branch2][O]" ], "smiles": [ "CC(=O)c1ccc(O)c(C)c1O", "N#Cc1cncc(Sc2cccc(CO)c2)c1", "CC(=O)c1ccc(OCc2cccc(Sc3cncc(C#N)c3)c2)c(C)c1O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be C1CCOC1 .", "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][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][=C][C][C][Ring1][=Branch1][Branch1][C][N][C][Ring1][#Branch2]", "[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][=C][C][C][Ring1][=Branch1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][P]" ], "smiles": [ "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C", "CC(c1ccccc1)N1CC2CC=CCC2(N)C1", "CC(c1ccccc1)N1CC2CC=CCC2(NC(=O)OC(C)(C)C)C1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][S][C][C][=C][C][=C][C][Branch2][Branch1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][Ring1][S][=C][Ring2][Ring2][Branch2]", "[O][=C][Branch1][C][O][C][C][S][C][C][=C][C][=C][C][Branch2][Branch1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][Ring1][S][=C][Ring2][Ring2][Branch2]" ], "smiles": [ "CC(C)(C)OC(=O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Nc2ncc(-c3cccc(C(F)(F)F)c3)cn2)c1", "O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Nc2ncc(-c3cccc(C(F)(F)F)c3)cn2)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[N][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][=O][S][Ring1][Branch2]", "[O][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[O][=C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][=C][Cl]" ], "smiles": [ "Nc1nc(Cl)c(C=O)s1", "O=C(Cl)c1ccccc1", "O=Cc1sc(NC(=O)c2ccccc2)nc1Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][C][N][Ring1][=Branch1]", "[Cl][C][=N][C][=C][N][=C][Ring1][=Branch1][Cl]", "[Cl][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1]" ], "smiles": [ "C1COCCN1", "Clc1nccnc1Cl", "Clc1nccnc1N1CCOCC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CS(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][C][C][C][C][C][C][C][C][C][C][C][Br]", "[C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C]", "[C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C]" ], "smiles": [ "CCCCCCCCCCCCCCBr", "Cc1cccc(O)c1C", "CCCCCCCCCCCCCCOc1cccc(C)c1C" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CC#N .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][C][=C][Branch1][N][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][S][Ring2][Ring1][=C]", "[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N]", "[C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=N][C][Branch1][N][N][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring1][=N][S][Ring2][Ring2][Ring2]" ], "smiles": [ "CC(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Cl)n2)s1", "CS(=O)(=O)CCN", "CC(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(NCCS(C)(=O)=O)n2)s1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "Cl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][C][C][Ring1][=Branch1][C][C][C][C][Ring1][S][C][C][Ring2][Ring1][=Branch2]", "[C][C][O][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][Ring1][S][C][C][Ring2][Ring1][=Branch2]" ], "smiles": [ "CCOC(=O)C1CCC(NC(=O)C2(CC(C(=O)O)C3C=CCCC3)CCCC2)CC1", "CCOC(=O)C1CCC(NC(=O)C2(CC(C(=O)O)C3CCCCC3)CCCC2)CC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CCO .", "role": "assistant" } ]

{ "selfies": [ "[C][I]", "[C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][O][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Branch1][=Branch2][C][O][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][=C]" ], "smiles": [ "CI", "Cc1ccc(C(=O)O)cc1C1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1", "COC(=O)c1ccc(C)c(C2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1]", "[O][=C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1]" ], "smiles": [ "Cc1c(N)ccc2c1cnn2C1CCCCO1", "O=C1CC2CCC(C1)N2Cc1ccccc1", "Cc1c(NC2CC3CCC(C2)N3Cc2ccccc2)ccc2c1cnn2C1CCCCO1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be ClCCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]", "[C][N][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][N][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][=Branch2][C][C][=Branch1][C][=O][N][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]" ], "smiles": [ "CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)CC(NC(=O)OC(C)(C)C)C(=O)O", "CN(CCNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)C(N)CCc1ccccc1", "CN(CCNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)C(CCc1ccccc1)NC(=O)C(CC(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?", "role": "user" }, { "content": "A possible solvent can be ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[O][=C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=N][C][=N][C][Branch2][Ring1][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][F][=C][Ring1][P][S][Ring2][Ring1][Ring2]", "[N][C][=C][C][=C][Branch2][Ring1][P][O][C][=N][C][=N][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][S][C][Ring2][Ring1][Ring2][=Ring1][S][C][Branch1][C][F][=C][Ring2][Ring1][N]" ], "smiles": [ "O=C(NCCN1CCOCC1)c1cc2ncnc(Oc3ccc([N+](=O)[O-])cc3F)c2s1", "Nc1ccc(Oc2ncnc3cc(C(=O)NCCN4CCOCC4)sc23)c(F)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be CO .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=C][C][=C][N][=C][Ring1][=Branch1][C]", "[O][=C][Branch1][Ring1][O][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]", "[C][C][=C][C][=C][N+1][Branch1][C][O-1][=C][Ring1][#Branch1][C]" ], "smiles": [ "Cc1cccnc1C", "O=C(OO)c1cccc(Cl)c1", "Cc1ccc[n+]([O-])c1C" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "ClC(Cl)Cl .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=N][C][=N][C][Branch1][#C][O][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring1][S][C][=C][Ring2][Ring1][Ring2][O]", "[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Branch1][C][C][C][O][C][C][Ring1][#Branch2]", "[C][O][C][=C][C][=N][C][=N][C][Branch1][#C][O][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring1][S][C][=C][Ring2][Ring1][Ring2][O][C][C][C][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2]" ], "smiles": [ "COc1cc2ncnc(Oc3cnc4[nH]ccc4c3)c2cc1O", "CS(=O)(=O)N1CCN(CCCO)CC1", "COc1cc2ncnc(Oc3cnc4[nH]ccc4c3)c2cc1OCCCN1CCN(S(C)(=O)=O)CC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][O][B][Branch2][Ring1][=C][C][=C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C][O][C][Ring2][Ring1][Branch2][Branch1][C][C][C]", "[C][C][=N][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1]", "[C][C][=N][NH1][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O][Ring2][Ring1][Branch2]" ], "smiles": [ "CC1(C)OB(c2ccc3cc(NC(=O)c4ccsc4)ccc3c2)OC1(C)C", "Cc1n[nH]c2ccc(Br)cc12", "Cc1n[nH]c2ccc(-c3ccc4cc(NC(=O)c5ccsc5)ccc4c3)cc12" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][Ring1][Ring1]", "[C][C][Branch1][C][C][Branch1][C][C][C][N]", "[C][C][Branch1][C][C][Branch1][C][C][C][N][C][C][O]" ], "smiles": [ "C1CO1", "CC(C)(C)CN", "CC(C)(C)CNCCO" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "CO .", "role": "assistant" } ]

{ "selfies": [ "[O][C][C][C][=C][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2]", "[O][C][=C][C][=C][Branch1][O][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][=C]", "[C][=C][S][C][Branch2][Ring2][Ring1][C][=N][C][Branch2][Ring1][Branch2][C][C][O][C][=C][C][=C][Branch1][O][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][=C][=C][O][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][O]" ], "smiles": [ "OCCc1coc(-c2cccs2)n1", "Oc1ccc(CCCn2ccnc2)cc1", "c1csc(-c2nc(CCOc3ccc(CCCn4ccnc4)cc3)co2)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][I]", "[N][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]", "[C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring1][#C][N]" ], "smiles": [ "CCI", "Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1", "CCOC(=O)Cc1cccc(C(=O)c2ccc(Br)cc2)c1N" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "CN(C)C=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][O][C][C][Branch1][C][F][F]", "[C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][O][C][C][Branch1][C][F][F][C][=C][Ring1][P]" ], "smiles": [ "Cc1ccc(S(=O)(=O)Cl)cc1", "OCCOCC(F)F", "Cc1ccc(S(=O)(=O)OCCOCC(F)F)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "C1CCOC1.O .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Branch1][O][C][C][Cl][C][=C][Ring1][N][NH1][Ring1][#C]", "[C][O][C][=C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][NH1][C][=Ring1][Branch2][C][=C][Ring1][N][O][C][C][Cl]" ], "smiles": [ "COC(=O)c1cc2cc(OC)c(OCCCl)cc2[nH]1", "COc1cc2cc(C(=O)O)[nH]c2cc1OCCCl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "O .", "role": "assistant" } ]

{ "selfies": [ "[N-1][=N+1][=N][C][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch2][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]", "[N][C][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch2][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]" ], "smiles": [ "[N-]=[N+]=NCCOc1ccc(C(=C(c2ccc(F)cc2)C(F)(F)F)c2ccccc2)cc1", "NCCOc1ccc(C(=C(c2ccc(F)cc2)C(F)(F)F)c2ccccc2)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CO .", "role": "assistant" } ]

{ "selfies": [ "[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]", "[O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]", "[O][C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][=C][Ring1][P]" ], "smiles": [ "FC(F)(F)c1ccc(Cl)nc1", "OCc1cccc(O)c1", "OCc1cccc(Oc2ccc(C(F)(F)F)cn2)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][N][C][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]", "[O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][C][Ring1][N]", "[C][N][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][C][C][Branch2][Ring1][Branch2][C][C][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]" ], "smiles": [ "CN(C(=O)CC(CCOS(C)(=O)=O)c1ccccc1)c1ccc(Cl)cc1", "OC1(c2ccccc2)CCNCC1", "CN(C(=O)CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccccc1)c1ccc(Cl)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][Ring2][C][C][Br][C][=C][Ring1][=Branch2]", "[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][N][C][C][C][Ring1][O][Ring1][=Branch1]", "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1]" ], "smiles": [ "O=[N+]([O-])c1ccc(CCBr)cc1", "c1ccc2c(c1)CCC1CNCCC21", "O=[N+]([O-])c1ccc(CCN2CCC3c4ccccc4CCC3C2)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.", "role": "user" }, { "content": "CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][O][N]", "[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]" ], "smiles": [ "CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1N", "O=S(=O)(Cl)c1ccccc1", "CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1NS(=O)(=O)c1ccccc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "c1ccncc1 .", "role": "assistant" } ]

{ "selfies": [ "[N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]", "[O][=C][Branch1][C][Cl][C][C][Cl]", "[O][=C][Branch1][Ring2][C][C][Cl][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]" ], "smiles": [ "Nc1cccc(F)c1", "O=C(Cl)CCCl", "O=C(CCCl)Nc1cccc(F)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be ClCCl.O .", "role": "assistant" } ]

{ "selfies": [ "[C][N][C][Branch1][C][Cl][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Ring1][=N][=O]", "[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][C][Ring1][=Branch1]", "[C][N][C][Branch2][Ring1][Branch2][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Ring2][Ring1][O][=O]" ], "smiles": [ "Cn1c(Cl)nc(-c2ccncc2)cc1=O", "O=C(Nc1ccccc1)C1CCCNC1", "Cn1c(N2CCCC(C(=O)Nc3ccccc3)C2)nc(-c2ccncc2)cc1=O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][N][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2]", "[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][C][=C][Ring1][P][N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2]" ], "smiles": [ "CCOC(=O)c1cc2c([N+](=O)[O-])c(-c3ccc(OC(C)C)cc3)ccc2n1-c1ccc(OC(C)C)cc1", "CCOC(=O)c1cc2c(N)c(-c3ccc(OC(C)C)cc3)ccc2n1-c1ccc(OC(C)C)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CCOC(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][Ring1][P]", "[C][C][C][N][C][C][N][Ring1][=Branch1]", "[C][C][C][N][Branch2][Ring2][Branch1][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=N][=C][Ring2][Ring1][C][F][C][C][N][Ring2][Ring1][=Branch2]" ], "smiles": [ "CC(C)n1cc(C(=O)O)c(=O)c2cc(F)c(F)c(F)c21", "CC1CNCCN1", "CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C(C)C)c3c2F)CCN1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.", "role": "user" }, { "content": "c1ccncc1 .", "role": "assistant" } ]

{ "selfies": [ "[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch1][C][N][=C][Ring1][#Branch2]", "[C][O][C][=C][C][=N][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][O][O][C]", "[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch2][Ring1][Branch2][N][C][=N][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch2]" ], "smiles": [ "CNS(=O)(=O)c1ccc(N(C)C)c(N)c1", "COc1cc2ncnc(Cl)c2cc1OC", "CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OC)c(OC)cc23)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CC(C)O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Cl][=C][Ring1][Branch2]", "[N][#C][Cu]", "[C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2]" ], "smiles": [ "Cc1ccc(Br)c(Cl)c1", "N#C[Cu]", "Cc1ccc(C#N)c(Cl)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]", "[C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]" ], "smiles": [ "CC(=O)CC(=O)CCc1ccc(OCc2ccccc2)cc1", "CC(=O)CC(=O)CCc1ccc(O)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]", "[O][=C][Branch1][C][O][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]" ], "smiles": [ "CCOC(=O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(Cl)nc1", "O=C(O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(Cl)nc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CO .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][N][C][Ring1][Branch1]", "[N][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=N][C][Branch1][C][Br][=C][Ring1][Branch2][C][=C][Ring1][P]", "[N][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1]" ], "smiles": [ "C1CCNC1", "Nc1ccc(S(=O)(=O)c2cc(Br)nc(Br)c2)cc1", "Nc1ccc(S(=O)(=O)c2cc(Br)nc(N3CCCC3)c2)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "C1COCCO1 .", "role": "assistant" } ]

{ "selfies": [ "[N][C][=C][C][=C][Branch2][Ring2][Branch1][N][N][=C][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][=C][Ring1][=C][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#Branch2]", "[O][=C][Branch1][C][Cl][O][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[O][=C][Branch2][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][Branch1][N][N][=C][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][=C][Ring1][=C][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1]" ], "smiles": [ "Nc1ccc(-n2ncn(-c3ccc(OCC(F)(F)C(F)F)cc3)c2=O)cc1", "O=C(Cl)Oc1ccccc1", "O=C(Nc1ccc(-n2ncn(-c3ccc(OCC(F)(F)C(F)F)cc3)c2=O)cc1)Oc1ccccc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: C1CCOC1.CCOC(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][O]", "[N]", "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][O][C][C][Branch1][C][N][C][Branch1][C][N][=O][=C][C][=C][Ring1][N][O]" ], "smiles": [ "COC(=O)C(N)Cc1ccc(O)c(C(C)(C)C)c1", "N", "CC(C)(C)c1cc(CC(N)C(N)=O)ccc1O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: CO .", "role": "assistant" } ]

{ "selfies": [ "[N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][O][F]", "[N][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][=Branch2][N]" ], "smiles": [ "Nc1c([N+](=O)[O-])cc(F)c(Cl)c1F", "Nc1cc(F)c(Cl)c(F)c1N" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "CCO .", "role": "assistant" } ]

{ "selfies": [ "[Cl][C][=C][C][=C][C][Branch1][=C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring1][#C]", "[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][Ring1][S]" ], "smiles": [ "Clc1cccc(-c2ccc3[nH]ccc3c2)c1", "O=S(=O)(Cl)c1ccccc1", "O=S(=O)(c1ccccc1)n1ccc2cc(-c3cccc(Cl)c3)ccc21" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][N][C]", "[C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Branch2][Ring1][=C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][Ring1][#Branch2][=N][Ring1][S][=N][Ring2][Ring1][S]", "[C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][N][=N][Ring2][Ring1][C][=N][Ring2][Ring2][C]" ], "smiles": [ "CNC", "Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)Cl)c3)n2)n1", "Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)N(C)C)c3)n2)n1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be C1CCOC1.CCOC(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][=N]", "[O][C][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][=N]" ], "smiles": [ "CCOC(=O)C(F)(F)c1ccc(-c2ccc(Br)cc2)cc1", "OCC(F)(F)c1ccc(-c2ccc(Br)cc2)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "CO .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][O][Ring2][Ring1][=Branch1]", "[C][C][C][C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][Branch2][C][C][N][C][C][Ring1][=Branch1][O][Ring1][#C]" ], "smiles": [ "CCC1CN(C(C)(C)C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1", "CCC1CN(C(C)(C)C)CC2(CCNCC2)O1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[N][O]", "[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]", "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O]" ], "smiles": [ "NO", "O=Cc1ccccc1[N+](=O)[O-]", "O=[N+]([O-])c1ccccc1C=NO" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: CO.O .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][C][=C][Ring1][O][O][C][C][C][N][C][C][C][C][Ring1][Branch1]", "[C][N][C][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]", "[C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][=C][C][=C][C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][=C][Ring1][#Branch2][N][=C][N][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C][C][C][N][C][C][C][C][Ring1][Branch1]" ], "smiles": [ "COc1cc2c(Cl)ncnc2cc1OCCCN1CCCC1", "Cn1ccc2cc(O)ccc21", "COc1cc2c(Oc3ccc4c(ccn4C)c3)ncnc2cc1OCCCN1CCCC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "CC(=O)N(C)C .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][N][C][=C][C][Branch1][C][N][=N][Ring1][=Branch1]", "[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][S][Cl]", "[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][N][C][=C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][Cl][=C][Ring1][O][=N][Ring2][Ring1][#Branch2]" ], "smiles": [ "CC(C)(C)[Si](C)(C)OCCn1ccc(N)n1", "CS(=O)(=O)c1ccc(C(CC2CCOC2)C(=O)O)cc1Cl", "CC(C)(C)[Si](C)(C)OCCn1ccc(NC(=O)C(CC2CCOC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]", "[C][C][Branch1][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1]" ], "smiles": [ "CC(c1cc2c(Cl)cccc2nc1-c1ccccn1)N1C(=O)c2ccccc2C1=O", "CC(N)c1cc2c(Cl)cccc2nc1-c1ccccn1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "CCO .", "role": "assistant" } ]

{ "selfies": [ "[O][=C][Branch1][C][Cl][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[O][C][C][N][C][Ring1][Ring2]", "[O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][Ring1][Branch1]" ], "smiles": [ "O=C(Cl)OCc1ccccc1", "OC1CNC1", "O=C(OCc1ccccc1)N1CC(O)C1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "C1CCOC1.O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]", "[O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]" ], "smiles": [ "CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)O", "OCc1ccccc1", "CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]", "[O][=C][Branch2][Ring1][C][N][C][C][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][N][N][=C][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]" ], "smiles": [ "CS(=O)(=O)Cl", "O=C(NC1CCCc2c1cnn2CCO)OCc1ccccc1", "CS(=O)(=O)OCCn1ncc2c1CCCC2NC(=O)OCc1ccccc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=Branch1][C][=O][O][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][S][C][Branch2][Ring1][#C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2]", "[C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][Ring1][=Branch1][S][C][Ring2][Ring1][#Branch2]", "[C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][=Branch1][Branch2][=N][O][C][Branch1][C][C][=O][C][=C][S][C][Branch2][Ring1][#C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2][C][Ring2][Ring2][#Branch1][S][C][Ring2][Branch1][O]" ], "smiles": [ "CC(=O)ON=C(C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1", "CC(=O)OCC=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(N)C2SC1", "CC(=O)OCC=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)C(=NOC(C)=O)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)C2SC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?", "role": "user" }, { "content": "A possible solvent can be C1CCOC1.CCOC(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[N][C][C][=C][C][=C][C][=N][Ring1][=Branch1]", "[O][=C][=N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[O][=C][Branch1][=N][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1]" ], "smiles": [ "NCc1ccccn1", "O=C=NCCCc1ccccc1", "O=C(NCCCc1ccccc1)NCc1ccccn1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?", "role": "user" }, { "content": "A possible solvent can be C1CCOC1.c1ccccc1 .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][C][Ring1][=Branch1]", "[O][=C][Branch1][C][O][C][=C][C][=C][C][C][Ring1][=Branch1]" ], "smiles": [ "COC(=O)C1=CC=CCC1", "O=C(O)C1=CC=CCC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.", "role": "user" }, { "content": "CO .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][O][N][=C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][S][C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1][C][=C][S][C][Branch1][Ring2][N][C][=O][=N][Ring1][Branch2]", "[O][=C][N][C][=N][C][Branch2][Branch1][#Branch2][C][=Branch1][=Branch2][=N][O][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][S][C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1][=C][S][Ring2][Ring2][Branch1]" ], "smiles": [ "CC(C)(C)OC(=O)CON=C(C(=O)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CCSC12)c1csc(NC=O)n1", "O=CNc1nc(C(=NOCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)OCc4ccc([N+](=O)[O-])cc4)=CCSC23)cs1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "COc1ccccc1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][O][C][C][C][N][C][C][Ring1][=Branch1]", "[C][C][Branch1][Ring1][C][I][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]", "[C][C][C][O][C][C][C][N][Branch2][Ring1][Branch2][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][Branch1]" ], "smiles": [ "CCCOC1CCNCC1", "CC(CI)CN1C(=O)CCc2ccccc21", "CCCOC1CCN(CC(C)CN2C(=O)CCc3ccccc32)CC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "CC#N .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][Branch1][O][O][S][N][C][=C][Ring1][#Branch2][C][=C][Ring1][#C][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][=N]", "[C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][Branch1][O][O][S][N][C][=C][Ring1][#Branch2][C][=C][Ring1][#C][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Ring1][O]" ], "smiles": [ "CCOC(=O)c1nn(-c2ccc(OOSN)cc2)c2c1CCc1ccc([N+](=O)[O-])cc1-2", "CCOC(=O)c1nn(-c2ccc(OOSN)cc2)c2c1CCc1ccc(N)cc1-2" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=C][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][=N][NH1][Ring1][S]", "[C][C][Branch1][C][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1]", "[C][C][O][C][=C][C][Branch2][Ring1][P][N][C][=N][C][Branch1][P][N][C][Branch1][C][C][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][=C][C][=C][Ring1][S][N+1][=Branch1][C][=O][O-1][=N][NH1][Ring2][Ring1][=Branch2]" ], "smiles": [ "CCOc1cc(Nc2nc(Cl)ccc2[N+](=O)[O-])n[nH]1", "CC(N)c1ncc(F)cn1", "CCOc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ccc2[N+](=O)[O-])n[nH]1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CCCCO.CCOC(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[C][N][Branch1][Ring2][C][C][N][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]", "[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]", "[C][N][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]" ], "smiles": [ "CN(CCN)CCNC(=O)OC(C)(C)C", "O=C(O)c1ccccc1O", "CN(CCNC(=O)OC(C)(C)C)CCNC(=O)c1ccccc1O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CC#N.CCOC(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2]", "[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]", "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][O][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][N]" ], "smiles": [ "CC(C)(C)OC(=O)N1CCC(CO)CC1", "CS(=O)(=O)Cl", "CC(C)(C)OC(=O)N1CCC(COS(C)(=O)=O)CC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[N-1][=N+1][=N][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][=N]", "[N][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][=N]" ], "smiles": [ "[N-]=[N+]=NCC1CN(c2ccc(Cl)cn2)C(=O)O1", "NCC1CN(c2ccc(Cl)cn2)C(=O)O1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.", "role": "user" }, { "content": "C1CCOC1.O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]", "[C][O][C][=Branch1][C][=O][C][C][N]", "[C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][#Branch1][C][C][Branch1][C][C][C][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1]" ], "smiles": [ "CC(C)CC(Sc1ccc(Br)cc1)c1ccc(C(=O)O)cc1", "COC(=O)CCN", "COC(=O)CCNC(=O)c1ccc(C(CC(C)C)Sc2ccc(Br)cc2)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][C][C][Branch2][Ring2][#Branch1][C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][C][C][C][=C][C][Ring2][Ring1][=Branch2][S][Ring2][Ring1][=C]", "[C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][Branch1][#C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][Ring1][Branch2][C][C][=C][C][Ring1][=N][=C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]" ], "smiles": [ "COC(=O)c1ccc(C2(COc3cc(C)c(-c4ccc(C(F)(F)F)cc4)c(C)c3)CC=CC2)s1", "Cc1cc(OCC2(c3ccc(C(=O)O)s3)CC=CC2)cc(C)c1-c1ccc(C(F)(F)F)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][O][C][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][C][=Ring1][=C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][=N]", "[N][C][=Branch1][C][=O][C][N][=C][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][O][C][=Ring1][=C][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N]" ], "smiles": [ "CC(C)(C)OC(=O)N1CCN(c2ccc(-c3oc(-c4cccc5[nH]ccc45)nc3C(N)=O)cc2)CC1", "NC(=O)c1nc(-c2cccc3[nH]ccc23)oc1-c1ccc(N2CCNCC2)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CO.ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[Br][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][N][C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]", "[C][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][O][C][=C][Ring2][Ring1][P]" ], "smiles": [ "BrCCc1ccccc1", "Cc1ccc(-c2cc(C(=O)CC3CCNCC3)c3ccccc3n2)cc1", "Cc1ccc(-c2cc(C(=O)CC3CCN(CCc4ccccc4)CC3)c3ccccc3n2)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][C][C][=C][Branch2][Ring1][N][N][Branch1][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][Ring1][=C][C][Ring2][Ring1][Branch1]", "[C][N][C][=C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring1][P][C][C][Branch1][Ring1][C][O][C][Ring2][Ring1][Branch1]" ], "smiles": [ "CCOC(=O)C1Cc2c(n(C)c3ccc(OCc4ccccc4)cc23)C1", "Cn1c2c(c3cc(OCc4ccccc4)ccc31)CC(CO)C2" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]", "[O][=C][Branch1][C][Cl][C][=Branch1][C][=O][Cl]", "[C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]" ], "smiles": [ "CCC(C(=O)O)c1ccc(OC)cc1", "O=C(Cl)C(=O)Cl", "CCC(C(=O)Cl)c1ccc(OC)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][C][=Branch1][C][=O][O][C][Branch1][C][C][=O]", "[O][=C][C][=C][C][=C][Branch2][Ring2][N][O][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][=N][S][Ring1][O][C][Branch1][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][P]", "[C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][=C][C][=N][S][C][Branch2][Ring2][Ring1][N][C][=N][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][C][=C][Ring1][#C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][=N][C][C][Ring2][Ring2][Ring1]" ], "smiles": [ "CC(=O)OC(C)=O", "O=Cc1ccc(Oc2cnc(Nc3nc(C4CCNCC4)ns3)c(Sc3ccccc3Cl)c2)cc1", "CC(=O)N1CCC(c2nsc(Nc3ncc(Oc4ccc(C=O)cc4)cc3Sc3ccccc3Cl)n2)CC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch2][Ring1][O][C][C][N][=C][N][Branch1][C][C][C][=Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][O]", "[C][C][=C][Branch2][Ring1][O][C][C][N][=C][N][Branch1][C][C][C][=Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][#Branch2][C][C][=Branch1][C][=O][O]" ], "smiles": [ "COC(=O)Cn1c(C)c(Cc2ncn(C)c2S(=O)(=O)c2ccccc2)c2cc(F)ccc21", "Cc1c(Cc2ncn(C)c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(=O)O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][=C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring1][N][S][Branch1][C][C][=Branch1][C][=O][=O]", "[C][=C][C][=C][C][Branch1][Ring1][C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][N][S][Branch1][C][C][=Branch1][C][=O][=O]" ], "smiles": [ "C=Cc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1NS(C)(=O)=O", "C=Cc1cc(CN)cc(C(F)(F)F)c1NS(C)(=O)=O" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "A probable solvent could be ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[O][=C][Branch1][C][O-1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]", "[O][=C][Branch1][C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]" ], "smiles": [ "O=C([O-])CCS(=O)(=O)NC1C=Nc2ccccc2N1OC(c1cccnc1)C(F)(F)F", "O=C(O)CCS(=O)(=O)NC1C=Nc2ccccc2N1OC(c1cccnc1)C(F)(F)F" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.", "role": "user" }, { "content": "Sure. A potential answer could be: CO .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][#Branch2][C][Branch1][Ring1][O][C][C][C][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1]", "[C][O][C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][#C][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch1]" ], "smiles": [ "COC(=O)Cc1ccc(C#Cc2ccc(C3(OC)CC3)cc2)cc1", "COC1(c2ccc(C#Cc3ccc(CC(=O)O)cc3)cc2)CC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?", "role": "user" }, { "content": "A possible solvent can be CCO .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][C][C][Ring1][=Branch1]", "[Cl][C][C][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1]", "[C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][C][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][C][Ring1][=C]" ], "smiles": [ "CC(O)(c1ccc(F)cc1)C1CCNCC1", "ClCCc1ccc(Cl)s1", "CC(O)(c1ccc(F)cc1)C1CCN(CCc2ccc(Cl)s2)CC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CC#N .", "role": "assistant" } ]

{ "selfies": [ "[F][C][Branch1][C][F][Branch1][C][F][C][C][O][Ring1][Ring1]", "[O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring1][Ring1][C][C][=N][N][Branch1][#Branch2][C][C][C][C][N][C][C][Ring1][=Branch1][C][=Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1]", "[O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring2][Ring2][C][C][=N][N][Branch2][Ring1][=Branch2][C][C][C][C][N][Branch1][=C][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=N][C][=Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][=N]" ], "smiles": [ "FC(F)(F)C1CO1", "O=S(=O)(c1ccccc1)n1cc(-c2cnn(CC3CCNCC3)c2)c2ccc(F)cc21", "O=S(=O)(c1ccccc1)n1cc(-c2cnn(CC3CCN(CC(O)C(F)(F)F)CC3)c2)c2ccc(F)cc21" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=N][N][Branch2][Ring1][S][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][=C][Ring2][Ring1][O][Cl]", "[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Cl]" ], "smiles": [ "CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(=O)OCc3ccccc3)cc2C(=O)OCC)c(C)c1Cl", "CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(=O)O)cc2C(=O)OCC)c(C)c1Cl" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be CO .", "role": "assistant" } ]

{ "selfies": [ "[O][=S][=Branch1][C][=O][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]", "[O][C][=C][C][=C][C][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2]", "[O][=S][=Branch1][C][=O][Branch1][#C][O][C][=C][C][=C][C][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F]" ], "smiles": [ "O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F", "Oc1ccc2ccoc2c1", "O=S(=O)(Oc1ccc2ccoc2c1)C(F)(F)F" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "ClCCl.O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][O][C][O][C]", "[C][O][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][O]" ], "smiles": [ "CCOC(=O)c1cc(Br)c(Cl)cc1OCOC", "COCOc1cc(Cl)c(Br)cc1CO" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?", "role": "user" }, { "content": "C1CCOC1 .", "role": "assistant" } ]

{ "selfies": [ "[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=N]", "[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O]" ], "smiles": [ "COc1ccc(C=Cc2nc(N3CCOCC3)c([N+](=O)[O-])c(N3CCOCC3)n2)cc1", "COc1ccc(C=Cc2nc(N3CCOCC3)c(N)c(N3CCOCC3)n2)cc1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "CC#N.O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][O][C][C][N][Ring1][=Branch1]", "[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][O][C][C][C][C][Cl]", "[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][O][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]" ], "smiles": [ "C1COCCN1", "COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCCCCCl", "COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCCCCN1CCOCC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "CN(C)C=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]", "[C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Br]", "[C][O][C][=C][C][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=C][Br]" ], "smiles": [ "CC(C)(C)[Si](C)(C)Cl", "COc1cc(O)ccc1Br", "COc1cc(O[Si](C)(C)C(C)(C)C)ccc1Br" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?", "role": "user" }, { "content": "A possible solvent can be ClCCl.O .", "role": "assistant" } ]

{ "selfies": [ "[N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1]", "[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]", "[N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1][Br]" ], "smiles": [ "Nc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)cc1", "O=C1CCC(=O)N1Br", "Nc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)cc1Br" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?", "role": "user" }, { "content": "A possible solvent can be ClCCl .", "role": "assistant" } ]

{ "selfies": [ "[C][N][Branch1][#C][C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "[C][N][C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]" ], "smiles": [ "CN(Cc1nc2cccnc2[nH]1)C(=O)OCc1ccccc1", "CNCc1nc2cccnc2[nH]1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>", "role": "user" }, { "content": "CO .", "role": "assistant" } ]

{ "selfies": [ "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1][C][C][C][Ring2][Ring1][O]", "[N][C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1][C][C][C][Ring2][Ring1][O]" ], "smiles": [ "CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4c(cc3-c3ccccc3)C(=O)COC4)cc2)CCC1", "NC1(c2ccc(-c3nc4c(cc3-c3ccccc3)C(=O)COC4)cc2)CCC1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.", "role": "user" }, { "content": "The solvent can be O=C(O)C(F)(F)F .", "role": "assistant" } ]

{ "selfies": [ "[C][=C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C]", "[C][C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C]" ], "smiles": [ "C=CCc1c(O)cc(O)c(C)c1C(=O)OC", "CCCc1c(O)cc(O)c(C)c1C(=O)OC" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?", "role": "user" }, { "content": "CCOC(C)=O .", "role": "assistant" } ]

{ "selfies": [ "[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch2][Ring2][#Branch1][C][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][=N][C][=C][Ring2][Ring1][Branch1][C][N][Branch1][C][C][C][=Ring2][Ring1][N]", "[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][=C][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=N][C][=C][Ring1][P][C][N][Branch1][C][C][C][=Ring2][Ring1][Branch2]" ], "smiles": [ "CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(C(=O)OC(C)(C)C)cc3C)ncc2C)n(C)c1", "CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(C(=O)O)cc3C)ncc2C)n(C)c1" ] }

[ { "content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents 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 solvents. We provide the SMILES of the reactions.", "role": "system" }, { "content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?", "role": "user" }, { "content": "ClCCl.O=C(O)C(F)(F)F .", "role": "assistant" } ]