input_data.json

{
    "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}
        ]
    }
]
}