[
  {
    "molid": "mol36849",
    "smiles": "CN(C)c1cc[n+](CC(=O)O)cc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1cc[n+](CC(=O)O)cc1",
        "std_free_energy": -3.6065361499786377,
        "relative_population": 0.9995177483462605
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)c1cc[n+](CC(=O)O)cc1",
        "std_free_energy": 15.142385482788086,
        "relative_population": 0.9955737468388282
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.09999990463257,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]