[
  {
    "molid": "mol26193",
    "smiles": "C[n+]1ncc2ccccc2c1O",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1[nH+]cc2ccccc2c1[O-]",
        "std_free_energy": 6.816684722900391,
        "relative_population": 0.9759223015844035
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[n+]1ncc2ccccc2c1[OH2+]",
        "std_free_energy": 18.804899215698242,
        "relative_population": 0.06312485819564725
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C[n+]1[nH+]cc2ccccc2c1O",
        "std_free_energy": 16.107463836669922,
        "relative_population": 0.9368751418043528
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -4.3,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]