[
  {
    "molid": "mol38349",
    "smiles": "CC(CN1CCCC1)C(=O)c1cccc(F)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](CN1CCCC1)C(=O)c1cccc(F)c1",
        "std_free_energy": -2.963815927505493,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H](C[NH+]1CCCC1)C(=O)c1cccc(F)c1",
        "std_free_energy": -8.418906211853027,
        "relative_population": 0.9991405727117957
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.03999996185303,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]