[
  {
    "molid": "mol31717",
    "smiles": "O=C(O)[C@@H](O)C(Cl)(Cl)Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H](O)C(Cl)(Cl)Cl",
        "std_free_energy": -2.0250539779663086,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H](O)C(Cl)(Cl)Cl",
        "std_free_energy": -11.176502227783203,
        "relative_population": 0.9998221627223463
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.34,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]