[
  {
    "molid": "mol38430",
    "smiles": "O=C(O)CN1CCOCCOCCN(CC(=O)O)CCOCCOCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+]1CCOCCOCC[NH+](CC(=O)[O-])CCOCCOCC1",
        "std_free_energy": -13.748771667480469,
        "relative_population": 0.9951857587382519
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=C([O-])C[NH+]1CCOCCOCC[NH+](CC(=O)O)CCOCCOCC1",
        "std_free_energy": -3.6542439460754395,
        "relative_population": 0.9986444351568959
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]