[
  {
    "molid": "mol9409",
    "smiles": "CC1CNC(=O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1CNC(=O)NC1=O",
        "std_free_energy": -7.1401777267456055,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H]1C[N-]C(=O)NC1=O",
        "std_free_energy": 3.707162380218506,
        "relative_population": 0.7377210763276101
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H]1CNC(=O)[N-]C1=O",
        "std_free_energy": 4.74131965637207,
        "relative_population": 0.2622789236723898
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.87,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]