[
  {
    "molid": "mol16099",
    "smiles": "CN(CC#CCN1CCCC1=O)CCBr",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(CC#CCN1CCCC1=O)CCBr",
        "std_free_energy": -6.3538923263549805,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](CC#CCN1CCCC1=O)CCBr",
        "std_free_energy": -5.91927433013916,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]