[
  {
    "molid": "mol27577",
    "smiles": "CN1C(=O)C(Cc2ccccc2)N(CC(=O)O)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C(=O)[C@@H](Cc2ccccc2)N(CC(=O)O)C1=O",
        "std_free_energy": -3.2186648845672607,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1C(=O)[C@@H](Cc2ccccc2)N(CC(=O)[O-])C1=O",
        "std_free_energy": -10.592607498168945,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.16000008583069,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.16,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]