[
  {
    "molid": "mol24682",
    "smiles": "CCCCCCCCN1CCN(c2ccccc2OC)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCN1CCN(c2ccccc2OC)CC1",
        "std_free_energy": -4.926316261291504,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCCCCC[NH+]1CCN(c2ccccc2OC)CC1",
        "std_free_energy": -8.107335090637207,
        "relative_population": 0.9881045123576495
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.40999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]