[
  {
    "molid": "mol35389",
    "smiles": "CCCCN1CCN(c2cccc3ccoc23)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCN1CCN(c2cccc3ccoc23)CC1",
        "std_free_energy": -4.185180187225342,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCC[NH+]1CCN(c2cccc3ccoc23)CC1",
        "std_free_energy": -8.783916473388672,
        "relative_population": 0.9752810756366365
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.76999998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]