[
  {
    "molid": "mol37940",
    "smiles": "O=S(=O)(O)c1c(F)c(F)c(O)c(F)c1F",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1c(F)c(F)c(O)c(F)c1F",
        "std_free_energy": -5.70505952835083,
        "relative_population": 0.9350735923561263
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)(O)c1c(F)c(F)c([O-])c(F)c1F",
        "std_free_energy": -3.037688732147217,
        "relative_population": 0.06492640764387378
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1c(F)c(F)c([O-])c(F)c1F",
        "std_free_energy": -7.669124603271484,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]