[
  {
    "molid": "mol717",
    "smiles": "COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O)n1",
        "std_free_energy": -3.2156941890716553,
        "relative_population": 0.9946993736642159
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)[O-])n1",
        "std_free_energy": -11.003068923950195,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.34,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]