[
  {
    "molid": "mol35694",
    "smiles": "Cc1ccc([N+](=O)[O-])cc1/N=N/C(O)=NNc1cc([N+](=O)[O-])ccc1C",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc([N+](=O)[O-])cc1/N=N/C([O-])=N\\Nc1cc([N+](=O)[O-])ccc1C",
        "std_free_energy": -5.204839706420898,
        "relative_population": 0.3452704992792158
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc([N+](=O)[O-])cc1/N=N/C(O)=N\\[N-]c1cc([N+](=O)[O-])ccc1C",
        "std_free_energy": -5.844733715057373,
        "relative_population": 0.6547295007207842
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccc([N+](=O)[O-])cc1/N=N/C([O-])=N\\[N-]c1cc([N+](=O)[O-])ccc1C",
        "std_free_energy": 6.114984512329102,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]