[
  {
    "molid": "mol37371",
    "smiles": "O=[N+]([O-])c1cc(C=Nc2nnc(-c3ccccc3)s2)c(O)c([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1cc(C=Nc2nnc(-c3ccccc3)s2)c(O)c([N+](=O)[O-])c1",
        "std_free_energy": -2.4957761764526367,
        "relative_population": 0.9940710602458884
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cc(C=Nc2nnc(-c3ccccc3)s2)c([O-])c([N+](=O)[O-])c1",
        "std_free_energy": -7.576551914215088,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.44999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]