[
  {
    "molid": "mol3038",
    "smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1",
        "std_free_energy": -4.024088382720947,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)[O-])cc1",
        "std_free_energy": -9.023616790771484,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.44,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.45,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]