[
  {
    "molid": "mol34385",
    "smiles": "COc1ccc(C(=O)O)c(C(=O)Nc2ccccc2)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(C(=O)[O-])c(C(=O)Nc2ccccc2)c1",
        "std_free_energy": -9.789836883544922,
        "relative_population": 0.999999307015928
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1ccc(C(=O)[O-])c(C(=O)[N-]c2ccccc2)c1",
        "std_free_energy": 4.982994079589844,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]