[
  {
    "molid": "mol32085",
    "smiles": "O=C(CN1CCCC1)NCc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CN1CCCC1)NCc1ccccc1",
        "std_free_energy": -5.365513801574707,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(C[NH+]1CCCC1)NCc1ccccc1",
        "std_free_energy": -7.882251739501953,
        "relative_population": 0.9996304217127767
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.27,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.27000045776367,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]