[
  {
    "molid": "mol34207",
    "smiles": "Nc1nc(S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1nc(S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1",
        "std_free_energy": -7.100811004638672,
        "relative_population": 0.9989754485429615
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Nc1nc([S-])c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1",
        "std_free_energy": -3.072514057159424,
        "relative_population": 0.9997757702077623
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.35000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.32999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]