[
  {
    "molid": "mol38280",
    "smiles": "CN1CCCN1C(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCCN1C(=O)c1ccccc1",
        "std_free_energy": -6.064438343048096,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1CCCN1C(=O)c1ccccc1",
        "std_free_energy": 0.15795648097991943,
        "relative_population": 0.87625584339687
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1CCCN1C(=[OH+])c1ccccc1",
        "std_free_energy": 2.115398406982422,
        "relative_population": 0.12374415660312994
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]