[
  {
    "molid": "mol37560",
    "smiles": "O=[N+]([O-])c1ccc(OS(=O)(=O)/C=C/c2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(OS(=O)(=O)/C=C/c2ccc(O)cc2)cc1",
        "std_free_energy": -5.6267828941345215,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(OS(=O)(=O)/C=C/c2ccc([O-])cc2)cc1",
        "std_free_energy": -2.023023843765259,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.82000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]