[
  {
    "molid": "mol35976",
    "smiles": "N#C/C(=C\\c1ccc(O)cc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#C/C(=C\\c1ccc(O)cc1)C(=O)O",
        "std_free_energy": -2.532050132751465,
        "relative_population": 0.9999476744853535
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "N#C/C(=C\\c1ccc(O)cc1)C(=O)[O-]",
        "std_free_energy": -10.508462905883789,
        "relative_population": 0.9989330831974427
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.61999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]