[
  {
    "molid": "mol30673",
    "smiles": "Cc1cc(O)ccc1N=C1C=CC(=O)C=C1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(O)ccc1N=C1C=CC(=O)C=C1",
        "std_free_energy": -6.066612243652344,
        "relative_population": 0.9980928887661928
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc([O-])ccc1N=C1C=CC(=O)C=C1",
        "std_free_energy": -2.019519329071045,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]