[
  {
    "molid": "mol38540",
    "smiles": "N#CC(=Cc1ccc(O)cc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "N#CC(=Cc1ccc(O)cc1)C(=O)O",
        "std_free_energy": -1.9047880172729492,
        "relative_population": 0.9999197433228486
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#CC(=Cc1ccc(O)cc1)C(=O)[O-]",
        "std_free_energy": -10.877503395080566,
        "relative_population": 0.9992620938853437
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.61999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]