[
  {
    "molid": "mol38132",
    "smiles": "O=C(O)CCN1CCOCCOCCN(CCC(=O)O)CCOCCOCC1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C([O-])CC[NH+]1CCOCCOCC[NH+](CCC(=O)[O-])CCOCCOCC1",
        "std_free_energy": -13.327630043029785,
        "relative_population": 0.9931230775474836
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C([O-])CC[NH+]1CCOCCOCC[NH+](CCC(=O)O)CCOCCOCC1",
        "std_free_energy": -7.524848937988281,
        "relative_population": 0.9986922052906482
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.60999989509583,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]