[
  {
    "molid": "mol36303",
    "smiles": "O=C(O)C[C@@H]1NC(=O)[C@H](CC(=O)O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C[C@@H]1NC(=O)[C@H](CC(=O)O)NC1=O",
        "std_free_energy": -0.5894289612770081,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C[C@@H]1NC(=O)[C@H](CC(=O)O)NC1=O",
        "std_free_energy": -8.383095741271973,
        "relative_population": 0.9918260844478177
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.10999989509583,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]