[
  {
    "molid": "mol35969",
    "smiles": "N#C[Se]C(CCC([Se]C#N)C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#C[Se][C@@H](CC[C@H]([Se]C#N)C(=O)O)C(=O)O",
        "std_free_energy": 1.0934510231018066,
        "relative_population": 0.9989706892182187
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#C[Se][C@@H](CC[C@H]([Se]C#N)C(=O)O)C(=O)[O-]",
        "std_free_energy": -7.990324020385742,
        "relative_population": 0.9999784735632931
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.02999997138977,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.13000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]