[
  {
    "molid": "mol30302",
    "smiles": "O=C1ON=C(c2ccccc2)C1C(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1ON=C(c2ccccc2)[C@@H]1C(=O)c1ccccc1",
        "std_free_energy": -3.572310447692871,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(c1ccccc1)[c-]1c(-c2ccccc2)noc1=O",
        "std_free_energy": -5.694620132446289,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]