[
  {
    "molid": "mol34691",
    "smiles": "CC(=O)C=C(O)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C=C(O)C(F)(F)F",
        "std_free_energy": -2.261613130569458,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)C=C([O-])C(F)(F)F",
        "std_free_energy": -4.340448379516602,
        "relative_population": 0.9526033775468716
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.85999989509583,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.92811989784241,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]