[
  {
    "molid": "mol33804",
    "smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O",
        "std_free_energy": -5.080380439758301,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1[O-]",
        "std_free_energy": -0.9392459988594055,
        "relative_population": 0.06347588420251273
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc(-c2cc(=O)c3c(O)cc([O-])cc3o2)cc1O",
        "std_free_energy": -3.1842126846313477,
        "relative_population": 0.599218761842467
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "COc1ccc(-c2cc(=O)c3c([O-])cc(O)cc3o2)cc1O",
        "std_free_energy": -2.609574556350708,
        "relative_population": 0.33730535395502026
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]