[
  {
    "molid": "mol31357",
    "smiles": "O=C(O)C(Cl)OO",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H](Cl)OO",
        "std_free_energy": -11.452067375183105,
        "relative_population": 0.9997340257814771
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C(O)[C-](Cl)O[O-]",
        "std_free_energy": 1.665445327758789,
        "relative_population": 0.34699023942140633
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])[C-](Cl)OO",
        "std_free_energy": 2.9532713890075684,
        "relative_population": 0.09572414733053997
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])[C@@H](Cl)O[O-]",
        "std_free_energy": 1.1916640996932983,
        "relative_population": 0.5572856132480537
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.8,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]