[
  {
    "molid": "mol33959",
    "smiles": "O=C(O)CCN(CC(=O)O)[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CC[NH+](CC(=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -13.401533126831055,
        "relative_population": 0.9797590370651261
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CCN(CC(=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -13.782501220703125,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.63000011444092,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]