[
  {
    "molid": "mol9785",
    "smiles": "C[C@@H]1C(=O)NC(=O)N[C@@H]1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1C(=O)NC(=O)N[C@@H]1C",
        "std_free_energy": -7.139840126037598,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H]1C(=O)[N-]C(=O)N[C@@H]1C",
        "std_free_energy": 4.459985256195068,
        "relative_population": 0.35618412833372437
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H]1C(=O)NC(=O)[N-][C@@H]1C",
        "std_free_energy": 3.8680202960968018,
        "relative_population": 0.6438158716662756
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.73,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]