[
  {
    "molid": "mol38099",
    "smiles": "O=C(CCN1CCCC1)CN1C(=O)C2CC=CCC2C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CCN1CCCC1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O",
        "std_free_energy": -2.9055514335632324,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=C(CC[NH+]1CCCC1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O",
        "std_free_energy": -7.834925651550293,
        "relative_population": 0.9938022446402396
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.96000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]