[
  {
    "molid": "mol37030",
    "smiles": "Cc1ccc2c(ccc[n+]2CC(=NO)c2ccccc2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2c(ccc[n+]2CC(=N[O-])c2ccccc2)c1",
        "std_free_energy": -2.6736538410186768,
        "relative_population": 0.9985296283633843
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc2c(ccc[n+]2CC(=NO)c2ccccc2)c1",
        "std_free_energy": -6.048876762390137,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.85999965667725,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]