[
  {
    "molid": "mol31598",
    "smiles": "C/C(=N\\O)c1cc(Cl)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(=N\\O)c1cc(Cl)ccc1O",
        "std_free_energy": -6.705509662628174,
        "relative_population": 0.9999804884848911
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C/C(=N\\O)c1cc(Cl)ccc1[O-]",
        "std_free_energy": -1.3444023132324219,
        "relative_population": 0.8962223277356868
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C/C(=N\\[O-])c1cc(Cl)ccc1O",
        "std_free_energy": 0.8115353584289551,
        "relative_population": 0.10377767226431331
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]