[
  {
    "molid": "mol33931",
    "smiles": "O=[N+]([O-])c1ccc(NS(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(NS(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1",
        "std_free_energy": -4.000946044921875,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc([N-]S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1",
        "std_free_energy": -5.342053413391113,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.3899998664856,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]