[
  {
    "molid": "mol38538",
    "smiles": "O=C(O)C=C(Cl)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C=C(Cl)C(=O)O",
        "std_free_energy": 2.2679991722106934,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)C=C(Cl)C(=O)[O-]",
        "std_free_energy": -8.516022682189941,
        "relative_population": 0.6053145292153437
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C=C(Cl)C(=O)O",
        "std_free_energy": -8.088363647460938,
        "relative_population": 0.3946854707846564
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.77999997138977,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 1.72000002861023,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]