[
  {
    "molid": "mol31282",
    "smiles": "O=C1c2ccc(S(=O)O)cc2-c2ccccc2C1(O)O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C1c2ccc([S@](=O)[O-])cc2-c2ccccc2C1([O-])[O-]",
        "std_free_energy": 5.76142692565918,
        "relative_population": 1.0
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C1c2ccc([S@](=O)[O-])cc2-c2ccccc2C1([O-])O",
        "std_free_energy": -3.1106295585632324,
        "relative_population": 0.9998202707808982
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.65,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]