[
  {
    "molid": "mol37864",
    "smiles": "C[n+]1cn(-c2ccccc2)cc1/C=N\\O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1cn(-c2ccccc2)cc1/C=N\\[O-]",
        "std_free_energy": -3.1324923038482666,
        "relative_population": 0.9985724039140814
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1cn(-c2ccccc2)cc1/C=N\\O",
        "std_free_energy": -5.429098606109619,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.48999977111816,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]