[
  {
    "molid": "mol37359",
    "smiles": "O/N=C1C(=N\\O)\\C=Cc2nsnc2\\1",
    "microspecies": [
      {
        "id": "0_7",
        "charge": 0,
        "smiles": "O/N=C1C(=N\\O)\\C=Cc2nsnc2\\1",
        "std_free_energy": -6.286529541015625,
        "relative_population": 0.999993029268009
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]/N=C1C(=N\\O)\\C=Cc2nsnc2\\1",
        "std_free_energy": -5.4159722328186035,
        "relative_population": 0.9311452859601012
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]/N=C1\\C=Cc2nsnc2\\C1=N\\O",
        "std_free_energy": -2.8115479946136475,
        "relative_population": 0.06885419002076086
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.53000020980835,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]