[
  {
    "molid": "mol33076",
    "smiles": "O=C(O)C=Cc1ccc(O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C=Cc1ccc(O)cc1O",
        "std_free_energy": -3.93192720413208,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C=Cc1ccc(O)cc1O",
        "std_free_energy": -8.858031272888184,
        "relative_population": 0.9978476818496834
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.09999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]