[
  {
    "molid": "mol36832",
    "smiles": "CCCCCCCCCCCCCCCCCC[N+](C)(C)CCNC(=O)c1ccccc1C(=O)OO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCCCCCCCCCCC[N+](C)(C)CCNC(=O)c1ccccc1C(=O)O[O-]",
        "std_free_energy": -4.603120803833008,
        "relative_population": 0.9844532826459066
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCCCCCCCCCCCCCC[N+](C)(C)CCNC(=O)c1ccccc1C(=O)OO",
        "std_free_energy": -4.025792598724365,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]