[
  {
    "molid": "mol30507",
    "smiles": "Cc1cc(O)cc(C)c1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc([O-])cc(C)c1O",
        "std_free_energy": 0.9087613224983215,
        "relative_population": 0.6428945172159667
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(O)cc(C)c1[O-]",
        "std_free_energy": 1.4967107772827148,
        "relative_population": 0.3571054827840333
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc([O-])cc(C)c1[O-]",
        "std_free_energy": 13.848783493041992,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 11.125,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]