[
  {
    "molid": "mol16580",
    "smiles": "CN1CCC(OC(c2ccccc2)c2ccccc2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCC(OC(c2ccccc2)c2ccccc2)CC1",
        "std_free_energy": -3.70241117477417,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1",
        "std_free_energy": -8.000276565551758,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]