[
  {
    "molid": "mol16159",
    "smiles": "CCN(CC)CCN1C(=O)Nc2ccccc2C1c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CC)CCN1C(=O)Nc2ccccc2[C@@H]1c1ccccc1",
        "std_free_energy": -3.9507975578308105,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH+](CC)CCN1C(=O)Nc2ccccc2[C@@H]1c1ccccc1",
        "std_free_energy": -9.065899848937988,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.23,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]