[
  {
    "molid": "mol37933",
    "smiles": "O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)O)c([N+](=O)[O-])c2)ccc1O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])c1cc(N=Nc2ccc(S(=O)(=O)[O-])c([N+](=O)[O-])c2)ccc1[O-]",
        "std_free_energy": -3.359574794769287,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cc(N=Nc2ccc(S(=O)(=O)[O-])c([N+](=O)[O-])c2)ccc1O",
        "std_free_energy": -13.646724700927734,
        "relative_population": 0.999815193227131
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1499996185303,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]