[
  {
    "molid": "mol15320",
    "smiles": "O=C(O)C(c1ccc(-c2ccccc2)cc1)C(O)Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@H](c1ccc(-c2ccccc2)cc1)[C@@H](O)Cc1ccccc1",
        "std_free_energy": -4.129850387573242,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@H](c1ccc(-c2ccccc2)cc1)[C@@H](O)Cc1ccccc1",
        "std_free_energy": -9.293863296508789,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.29,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.28999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]