[
  {
    "molid": "mol38281",
    "smiles": "CN1CCN(C(=O)COC(=O)c2ccccc2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCN(C(=O)COC(=O)c2ccccc2)CC1",
        "std_free_energy": -5.666228294372559,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+]1CCN(C(=O)COC(=O)c2ccccc2)CC1",
        "std_free_energy": -6.094311714172363,
        "relative_population": 0.9947615261000705
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.80000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]