[
  {
    "molid": "mol37786",
    "smiles": "O=C(O)[C@H]([Se][C@@H](C(=O)O)c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@H]([Se][C@@H](C(=O)O)c1ccccc1)c1ccccc1",
        "std_free_energy": -9.092939376831055,
        "relative_population": 0.9999905546402358
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=C([O-])[C@H]([Se][C@@H](C(=O)[O-])c1ccccc1)c1ccccc1",
        "std_free_energy": -12.9114990234375,
        "relative_population": 0.9999999974426788
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.79999995231628,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]