[
  {
    "molid": "mol35292",
    "smiles": "NS(=O)(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "NS(=O)(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1",
        "std_free_energy": -5.3214430809021,
        "relative_population": 0.9999970578172156
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH-]S(=O)(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1",
        "std_free_energy": -0.955862283706665,
        "relative_population": 0.08110894157746606
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NS(=O)(=O)c1ccc(/N=N/c2ccc([O-])cc2)cc1",
        "std_free_energy": -3.3832366466522217,
        "relative_population": 0.9188910584225338
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.22999954223633,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]