[
  {
    "molid": "mol23384",
    "smiles": "CC(C)c1ccc(C(C)C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)c1ccc([C@@H](C)C(=O)O)cc1",
        "std_free_energy": -4.042081832885742,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)c1ccc([C@@H](C)C(=O)[O-])cc1",
        "std_free_energy": -9.100263595581055,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.94999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]