[
  {
    "molid": "mol33954",
    "smiles": "CC(C)C1C(=O)N(C)C(=O)N(C)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)C1C(=O)N(C)C(=O)N(C)C1=O",
        "std_free_energy": -7.17808723449707,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)[c-]1c(=O)n(C)c(=O)n(C)c1=O",
        "std_free_energy": 5.444810390472412,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.84999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]