[
  {
    "molid": "mol27298",
    "smiles": "O=C(NC(=O)c1ccccc1)OCc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NC(=O)c1ccccc1)OCc1ccccc1",
        "std_free_energy": -5.018741130828857,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([N-]C(=O)c1ccccc1)OCc1ccccc1",
        "std_free_energy": -3.4904942512512207,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.39999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]