[
  {
    "molid": "mol35472",
    "smiles": "Cc1cc([N+](=O)[O-])ccc1/N=N/C(O)=NNc1ccc([N+](=O)[O-])cc1C",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc([N+](=O)[O-])ccc1/N=N/C([O-])=N/Nc1ccc([N+](=O)[O-])cc1C",
        "std_free_energy": -5.234981536865234,
        "relative_population": 0.455303969014706
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc([N+](=O)[O-])ccc1/N=N/C(O)=N/[N-]c1ccc([N+](=O)[O-])cc1C",
        "std_free_energy": -5.414244174957275,
        "relative_population": 0.5446960309852941
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc([N+](=O)[O-])ccc1/N=N/C([O-])=N/[N-]c1ccc([N+](=O)[O-])cc1C",
        "std_free_energy": 5.723121643066406,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.09999990463257,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]