[
  {
    "molid": "mol35230",
    "smiles": "NC(=N[N+](=O)[O-])NN=C/C=C/c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=N[N+](=O)[O-])N/N=C\\C=C\\c1ccccc1",
        "std_free_energy": -6.448209762573242,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC(=N[N+](=O)[O-])[N-]/N=C\\C=C\\c1ccccc1",
        "std_free_energy": 0.6445877552032471,
        "relative_population": 0.9907489308905403
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.27999973297119,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]