[
  {
    "molid": "mol34706",
    "smiles": "CC(=O)CC(O)(c1ccccc1)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C[C@](O)(c1ccccc1)C(F)(F)F",
        "std_free_energy": -5.945008277893066,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)C[C@]([O-])(c1ccccc1)C(F)(F)F",
        "std_free_energy": 2.743333101272583,
        "relative_population": 0.05531882693883001
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)[CH-][C@](O)(c1ccccc1)C(F)(F)F",
        "std_free_energy": -0.09438987076282501,
        "relative_population": 0.9446705794976278
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.1899995803833,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]