[
  {
    "molid": "mol9786",
    "smiles": "C[C@@H]1NC(=O)NC(=O)[C@H]1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1NC(=O)NC(=O)[C@H]1C",
        "std_free_energy": -7.132927894592285,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H]1NC(=O)[N-]C(=O)[C@H]1C",
        "std_free_energy": 4.504868030548096,
        "relative_population": 0.3024163311491245
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H]1[N-]C(=O)NC(=O)[C@H]1C",
        "std_free_energy": 3.6690502166748047,
        "relative_population": 0.6975836688508755
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.67,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]