[
  {
    "molid": "mol15324",
    "smiles": "Cc1cccc(C(O)C(C(=O)O)c2ccc(-c3ccccc3)cc2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc([C@H](O)[C@@H](C(=O)O)c2ccc(-c3ccccc3)cc2)c1",
        "std_free_energy": -4.028902053833008,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cccc([C@H](O)[C@@H](C(=O)[O-])c2ccc(-c3ccccc3)cc2)c1",
        "std_free_energy": -9.63421630859375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.17,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.1700001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.17000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]