[
  {
    "molid": "mol37000",
    "smiles": "CN(C)CCC[N+](C)(C)C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)CCC[N+](C)(C)C",
        "std_free_energy": -6.746562957763672,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)CCC[N+](C)(C)C",
        "std_free_energy": -9.563846588134766,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.67000007629395,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]