[
  {
    "molid": "mol24670",
    "smiles": "CCCCCCCCN1CCN(c2ccccc2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCN1CCN(c2ccccc2)CC1",
        "std_free_energy": -5.450356483459473,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCCCCC[NH+]1CCN(c2ccccc2)CC1",
        "std_free_energy": -8.349563598632812,
        "relative_population": 0.9923542037739922
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.07999992370606,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]