[
  {
    "molid": "mol32583",
    "smiles": "Nc1nc([SeH])c2ncn(C3OC(CO)C(O)C3O)c2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1nc([SeH])c2ncn([C@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1",
        "std_free_energy": -7.6178388595581055,
        "relative_population": 0.999966087277105
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1nc([Se-])c2ncn([C@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1",
        "std_free_energy": -4.490955829620361,
        "relative_population": 0.9999534066149928
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6799998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]