[
  {
    "molid": "mol37029",
    "smiles": "Cc1cc[n+](CC(=NO)c2ccccc2)c2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc[n+](CC(=N[O-])c2ccccc2)c2ccccc12",
        "std_free_energy": -3.2009899616241455,
        "relative_population": 0.9987067776608833
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc[n+](CC(=NO)c2ccccc2)c2ccccc12",
        "std_free_energy": -6.2578535079956055,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.90999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]