[
  {
    "molid": "mol37877",
    "smiles": "CCC([Se]C#N)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H]([Se]C#N)C(=O)O",
        "std_free_energy": -2.7879769802093506,
        "relative_population": 0.9999718712942306
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@H]([Se]C#N)C(=O)[O-]",
        "std_free_energy": -10.463889122009277,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5699999332428,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]