[
  {
    "molid": "mol33861",
    "smiles": "O=C(O)CN1CCN(CC(=O)O)CC1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CN1CC[NH+](CC(=O)[O-])CC1",
        "std_free_energy": -15.053146362304688,
        "relative_population": 0.9986037406332289
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CN1CCN(CC(=O)[O-])CC1",
        "std_free_energy": -9.135650634765625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.60000038146973,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]