{ "molecules": [ { "name": "sulfur dioxide", "number_of_atoms": 3, "smiles": "O=S=O" }, { "name": "Nitrogen Dioxide", "number_of_atoms": 3, "smiles": "N(=O)[O]" }, { "name": "water", "number_of_atoms": 3, "smiles": "O" }, { "name": "carbon dioxide", "number_of_atoms": 3, "smiles": "O=C=O" }, { "name": "carbon monoxide", "number_of_atoms": 2, "smiles": "[C-]#[O+]" }, { "name": "nitrogen", "number_of_atoms": 2, "smiles": "N#N" }, { "name": "methane", "number_of_atoms": 5, "smiles": "C" }, { "name": "hydrogen gas", "number_of_atoms": 2, "smiles": "[H][H]" }, { "name": "oxygen", "number_of_atoms": 2, "smiles": "O=O" }, { "name": "ammonia", "number_of_atoms": 4, "smiles": "N" }, { "name": "ethene", "number_of_atoms": 6, "smiles": "C=C" }, { "name": "ethane", "number_of_atoms": 8, "smiles": "CC" }, { "name": "ethanol", "number_of_atoms": 9, "smiles": "CCO" }, { "name": "hydrogen peroxide", "number_of_atoms": 4, "smiles": "OO" }, { "name": "carbonic acid", "number_of_atoms": 6, "smiles": "OC(=O)O" }, { "name": "propane", "number_of_atoms": 11, "smiles": "CCC" }, { "name": "formic acid", "number_of_atoms": 5, "smiles": "O=CO" }, { "name": "sulfur trioxide", "number_of_atoms": 4, "smiles": "O=S(=O)=O" }, { "name": "acetic acid", "number_of_atoms": 8, "smiles": "CC(=O)O" }, { "name": "acetamide", "number_of_atoms": 9, "smiles": "CC(=O)N" } ], "reactions": [ { "reaction_index": 1, "reaction_name": "Methane Combustion", "reactants": [ {"name": "Methane", "smiles": "C", "coefficient": 1}, {"name": "Oxygen", "smiles": "O=O", "coefficient": 2} ], "products": [ {"name": "Carbon dioxide", "smiles": "O=C=O", "coefficient": 1}, {"name": "Water", "smiles": "O", "coefficient": 2} ] }, { "reaction_index": 2, "reaction_name": "Ammonia Synthesis", "reactants": [ {"name": "Nitrogen gas", "smiles": "N#N", "coefficient": 1}, {"name": "Hydrogen gas", "smiles": "[H][H]", "coefficient": 3} ], "products": [ {"name": "Ammonia", "smiles": "N", "coefficient": 2} ] }, { "reaction_index": 3, "reaction_name": "Water Gas Shift Reaction", "reactants": [ {"name": "Carbon monoxide", "smiles": "[C-]#[O+]", "coefficient": 1}, {"name": "Water", "smiles": "O", "coefficient": 1} ], "products": [ {"name": "Carbon dioxide", "smiles": "O=C=O", "coefficient": 1}, {"name": "Hydrogen gas", "smiles": "[H][H]", "coefficient": 1} ] }, { "reaction_index": 4, "reaction_name": "Ethene Hydrogenation", "reactants": [ {"name": "Ethene", "smiles": "C=C", "coefficient": 1}, {"name": "Hydrogen gas", "smiles": "[H][H]", "coefficient": 1} ], "products": [ {"name": "Ethane", "smiles": "CC", "coefficient": 1} ] }, { "reaction_index": 5, "reaction_name": "Ethanol Combustion", "reactants": [ {"name": "Ethanol", "smiles": "CCO", "coefficient": 1}, {"name": "Oxygen", "smiles": "O=O", "coefficient": 3} ], "products": [ {"name": "Carbon dioxide", "smiles": "O=C=O", "coefficient": 2}, {"name": "Water", "smiles": "O", "coefficient": 3} ] }, { "reaction_index": 6, "reaction_name": "Hydration of Alkene", "reactants": [ {"name": "Ethene", "smiles": "C=C", "coefficient": 1}, {"name": "Water", "smiles": "O", "coefficient": 1} ], "products": [ {"name": "Ethanol", "smiles": "CCO", "coefficient": 1} ] }, { "reaction_index": 7, "reaction_name": "Hydrogen Peroxide Decomposition", "reactants": [ {"name": "Hydrogen peroxide", "smiles": "OO", "coefficient": 2} ], "products": [ {"name": "Water", "smiles": "O", "coefficient": 2}, {"name": "Oxygen", "smiles": "O=O", "coefficient": 1} ] }, { "reaction_index": 8, "reaction_name": "Carbonic Acid Formation", "reactants": [ {"name": "Carbon dioxide", "smiles": "O=C=O", "coefficient": 1}, {"name": "Water", "smiles": "O", "coefficient": 1} ], "products": [ {"name": "Carbonic acid", "smiles": "OC(=O)O", "coefficient": 1} ] }, { "reaction_index": 9, "reaction_name": "Propane Combustion", "reactants": [ {"name": "Propane", "smiles": "CCC", "coefficient": 1}, {"name": "Oxygen", "smiles": "O=O", "coefficient": 5} ], "products": [ {"name": "Carbon dioxide", "smiles": "O=C=O", "coefficient": 3}, {"name": "Water", "smiles": "O", "coefficient": 4} ] }, { "reaction_index": 10, "reaction_name": "Formic Acid Decomposition", "reactants": [ {"name": "Formic acid", "smiles": "O=CO", "coefficient": 1} ], "products": [ {"name": "Carbon dioxide", "smiles": "O=C=O", "coefficient": 1}, {"name": "Hydrogen gas", "smiles": "[H][H]", "coefficient": 1} ] } ] }