[
  {
    "molid": "mol36388",
    "smiles": "CN(C)c1ccc(NC(=O)CN2CCCCC2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(NC(=O)CN2CCCCC2)cc1",
        "std_free_energy": -5.497829437255859,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(NC(=O)CN2CCCCC2)cc1",
        "std_free_energy": -6.3770365715026855,
        "relative_population": 0.10676508246746629
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1ccc(NC(=O)C[NH+]2CCCCC2)cc1",
        "std_free_energy": -8.494854927062988,
        "relative_population": 0.8875361788679191
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.80000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]