[
  {
    "molid": "mol27578",
    "smiles": "CN1C(=O)N(CC(=O)O)C(=O)C1Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C(=O)N(CC(=O)O)C(=O)[C@H]1Cc1ccccc1",
        "std_free_energy": -3.011569023132324,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1C(=O)N(CC(=O)[O-])C(=O)[C@H]1Cc1ccccc1",
        "std_free_energy": -11.372987747192383,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.04999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]