[
  {
    "molid": "mol37001",
    "smiles": "CN(C)CC[N+](C)(C)C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)CC[N+](C)(C)C",
        "std_free_energy": -7.288181304931641,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)CC[N+](C)(C)C",
        "std_free_energy": -6.664617538452148,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.98000001907349,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]