[
  {
    "molid": "mol36742",
    "smiles": "O=C(O)C(c1ccc(-c2ccccc2)cc1)C(O)c1ccc(F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H](c1ccc(-c2ccccc2)cc1)[C@@H](O)c1ccc(F)cc1",
        "std_free_energy": -3.961817979812622,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H](c1ccc(-c2ccccc2)cc1)[C@@H](O)c1ccc(F)cc1",
        "std_free_energy": -9.714067459106445,
        "relative_population": 0.9999998060445036
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.01999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]