[
  {
    "molid": "mol34099",
    "smiles": "O=C(O)CC1NC(=O)NC1=O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C[C@@H]1NC(=O)NC1=O",
        "std_free_energy": -9.746725082397461,
        "relative_population": 0.9989742654986571
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])C[C@@H]1NC(=O)[N-]C1=O",
        "std_free_energy": -2.4241881370544434,
        "relative_population": 0.4303128280599493
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])C[C@@H]1[N-]C(=O)NC1=O",
        "std_free_energy": -2.7020699977874756,
        "relative_population": 0.5681550245520555
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]