[
  {
    "molid": "mol15885",
    "smiles": "CC(C)([SeH])CN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)([Se-])C[NH3+]",
        "std_free_energy": -9.508561134338379,
        "relative_population": 0.9998622595778407
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)([SeH])C[NH3+]",
        "std_free_energy": -5.930977821350098,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)([Se-])CN",
        "std_free_energy": 0.2712962031364441,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.95,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.21,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.21000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]