[
  {
    "molid": "mol34689",
    "smiles": "CC(=O)C1=C(O)CCC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C1=C(O)CCC1=O",
        "std_free_energy": -1.8735077381134033,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)C1=C([O-])CCC1=O",
        "std_free_energy": -9.969551086425781,
        "relative_population": 0.9995033789294078
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.66958999633789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]