[
  {
    "molid": "mol21788",
    "smiles": "O=C(O)C=Cc1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C=Cc1ccc(O)cc1",
        "std_free_energy": -4.2401604652404785,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C=Cc1ccc(O)cc1",
        "std_free_energy": -8.896883964538574,
        "relative_population": 0.9995202156040229
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C=Cc1ccc([O-])cc1",
        "std_free_energy": -1.2915773391723633,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.64,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      },
      {
        "pka_value": 4.3600001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.6399998664856,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.44999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]