[
  {
    "molid": "mol38316",
    "smiles": "O=C(O)CN1CCCN(CC(=O)O)CCOCC1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CN1CCC[NH+](CC(=O)[O-])CCOCC1",
        "std_free_energy": -13.810080528259277,
        "relative_population": 0.999914424252886
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CN1CCCN(CC(=O)[O-])CCOCC1",
        "std_free_energy": -4.264469623565674,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]