[
  {
    "molid": "mol30538",
    "smiles": "COc1cc(O)cc(C)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(O)cc(C)c1O",
        "std_free_energy": -7.56290340423584,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(O)cc(C)c1[O-]",
        "std_free_energy": 0.961056649684906,
        "relative_population": 0.4096960628656056
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cc([O-])cc(C)c1O",
        "std_free_energy": 0.5958346724510193,
        "relative_population": 0.5903039371343943
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]