[
  {
    "molid": "mol30674",
    "smiles": "Cc1cc(N=C2C=CC(=O)C=C2)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(N=C2C=CC(=O)C=C2)ccc1O",
        "std_free_energy": -6.0254998207092285,
        "relative_population": 0.9996253291967885
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(N=C2C=CC(=O)C=C2)ccc1[O-]",
        "std_free_energy": -1.9423840045928955,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]