[
  {
    "molid": "mol38566",
    "smiles": "O=C(O)C1OC(Oc2ccccc2)C(O)C(O)C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H]1O[C@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O",
        "std_free_energy": -2.9203827381134033,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1O[C@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O",
        "std_free_energy": -10.68906307220459,
        "relative_population": 0.9999970224759548
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.98000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]