[
  {
    "molid": "mol11916",
    "smiles": "O=C(O)c1ccc(NS(=O)(=O)c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2)cc1",
        "std_free_energy": -9.07943058013916,
        "relative_population": 0.9819933041413851
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2)cc1",
        "std_free_energy": -6.099855422973633,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.75,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]