[
  {
    "molid": "mol37938",
    "smiles": "O=C(O)CN(CCN(CC(=O)O)C(=O)CO)CC(=O)O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])CN(CCN(CC(=O)[O-])C(=O)CO)CC(=O)[O-]",
        "std_free_energy": -9.788333892822266,
        "relative_population": 0.9999867430586609
      },
      {
        "id": "-2_8",
        "charge": -2,
        "smiles": "O=C([O-])CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])C(=O)CO",
        "std_free_energy": -14.615849494934082,
        "relative_population": 0.955797500505098
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.15999984741211,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]