[
  {
    "molid": "mol38318",
    "smiles": "O=C(O)CN1CCOCCN(CC(=O)O)CC1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CN1CCOCC[NH+](CC(=O)[O-])CC1",
        "std_free_energy": -14.622251510620117,
        "relative_population": 0.999274372880457
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CN1CCOCCN(CC(=O)[O-])CC1",
        "std_free_energy": -6.84688663482666,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8000001907349,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]