[
  {
    "molid": "mol38387",
    "smiles": "CN(C)N(C)C(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)N(C)C(=O)c1ccccc1",
        "std_free_energy": -6.612674236297607,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)N(C)C(=[OH+])c1ccccc1",
        "std_free_energy": 2.8669919967651367,
        "relative_population": 0.09754834939792184
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C(=O)c1ccccc1)[NH+](C)C",
        "std_free_energy": 0.6422250270843506,
        "relative_population": 0.9024516506020782
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.60000002384186,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]