[
  {
    "molid": "mol36222",
    "smiles": "CN(C)CC#CCCCCCN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CC#CCCCCCN",
        "std_free_energy": -0.31509214639663696,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)CC#CCCCCC[NH3+]",
        "std_free_energy": -9.115041732788086,
        "relative_population": 0.96838762703147
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1199998855591,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]