[
  {
    "molid": "mol34869",
    "smiles": "COc1ccccc1/C=N/NC(=N)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccccc1/C=N/NC(=N)N[N+](=O)[O-]",
        "std_free_energy": -6.2588067054748535,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccccc1/C=N/NC(=N)[N-][N+](=O)[O-]",
        "std_free_energy": -7.242849349975586,
        "relative_population": 0.9916569613971552
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]