[
  {
    "molid": "mol9787",
    "smiles": "CC1(C)CC(=O)NC(=O)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)CC(=O)NC(=O)N1",
        "std_free_energy": -6.9127044677734375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)CC(=O)[N-]C(=O)N1",
        "std_free_energy": 4.609094142913818,
        "relative_population": 0.374281218282198
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1(C)CC(=O)NC(=O)[N-]1",
        "std_free_energy": 4.095200538635254,
        "relative_population": 0.625718781717802
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.44,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]