[
  {
    "molid": "mol38514",
    "smiles": "OCC1OC(O)C(O)C(O)C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -7.2045392990112305,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-][C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": 3.2250871658325195,
        "relative_population": 0.8620614270520923
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.460000038147,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 12.1999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 12.0799999237061,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]