[
  {
    "molid": "mol13714",
    "smiles": "O=c1cc(O)c2ccc(O)cc2o1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1cc(O)c2ccc(O)cc2o1",
        "std_free_energy": -1.9654250144958496,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1cc(O)c2ccc([O-])cc2o1",
        "std_free_energy": -4.453952312469482,
        "relative_population": 0.10879724047924436
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1cc([O-])c2ccc(O)cc2o1",
        "std_free_energy": -6.557038307189941,
        "relative_population": 0.8912027595207556
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1cc([O-])c2ccc([O-])cc2o1",
        "std_free_energy": -5.660150051116943,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.5999999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.59999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.14,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]