[
  {
    "molid": "mol36458",
    "smiles": "CN1C(=O)NC(=O)CC1C(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN1C(=O)NC(=O)C[C@@H]1C(=O)[O-]",
        "std_free_energy": -11.438872337341309,
        "relative_population": 0.9998101352744113
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CN1C(=O)[N-]C(=O)C[C@@H]1C(=O)[O-]",
        "std_free_energy": 2.7261762619018555,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.1099996566772,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]