[
  {
    "molid": "mol32582",
    "smiles": "Nc1nc(S)c2ncn(C3OC(CO)C(O)C3O)c2n1",
    "microspecies": [
      {
        "id": "0_7",
        "charge": 0,
        "smiles": "Nc1nc(S)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1",
        "std_free_energy": -7.028633117675781,
        "relative_population": 0.9944562143806985
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "Nc1nc([S-])c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1",
        "std_free_energy": -3.099242925643921,
        "relative_population": 0.9997700141578618
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3400002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "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"
      }
    ]
  }
]