[
  {
    "molid": "mol36310",
    "smiles": "O=C(O)Cc1ccc(S(=O)(=O)C(F)(F)F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)Cc1ccc(S(=O)(=O)C(F)(F)F)cc1",
        "std_free_energy": -2.8445205688476562,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])Cc1ccc(S(=O)(=O)C(F)(F)F)cc1",
        "std_free_energy": -9.860113143920898,
        "relative_population": 0.9999309541898621
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.8600001335144,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]