[
  {
    "molid": "mol37593",
    "smiles": "O=C(O)[C@@H]([Se][C@H](C(=O)O)c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]([Se][C@H](C(=O)O)c1ccccc1)c1ccccc1",
        "std_free_energy": -9.395915031433105,
        "relative_population": 0.9999978638184607
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=C([O-])[C@@H]([Se][C@H](C(=O)[O-])c1ccccc1)c1ccccc1",
        "std_free_energy": -12.25986099243164,
        "relative_population": 0.9999999928795281
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.79999995231628,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]