[
  {
    "molid": "mol34626",
    "smiles": "COc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1OC",
        "std_free_energy": -6.675198554992676,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc([C@H]2Oc3cc([O-])cc(O)c3C[C@@H]2O)cc1OC",
        "std_free_energy": -0.9806166887283325,
        "relative_population": 0.6791291706798237
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc([C@H]2Oc3cc(O)cc([O-])c3C[C@@H]2O)cc1OC",
        "std_free_energy": -0.2292022407054901,
        "relative_population": 0.3203444740101582
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.84000015258789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]