[
  {
    "molid": "mol16573",
    "smiles": "CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1",
        "std_free_energy": -3.087935447692871,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1",
        "std_free_energy": -7.923016548156738,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.87,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]