[
  {
    "molid": "mol36390",
    "smiles": "CN(C)c1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1",
        "std_free_energy": -6.528781890869141,
        "relative_population": 1.0
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C[NH+](C)c1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1",
        "std_free_energy": -3.1644928455352783,
        "relative_population": 0.9796096892800528
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.03999996185303,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]