[
  {
    "molid": "mol28492",
    "smiles": "O=S(=O)(Nc1ccc(F)cc1F)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)(Nc1ccc(F)cc1F)C(F)(F)F",
        "std_free_energy": -2.601245880126953,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([N-]c1ccc(F)cc1F)C(F)(F)F",
        "std_free_energy": -9.836931228637695,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.44,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]