[
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    "molid": "mol37624",
    "smiles": "NC1=N[C@]23C(O)[C@]4(O)O[C@H]([C@@H]2[C@@H](O)N1)C(O)(CO)[C@@H](O4)[C@H]3O",
    "microspecies": [
      {
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        "smiles": "NC1=[NH+][C@]23[C@H]([C@H]4O[C@]([O-])(O[C@@H]([C@H]2O)[C@@]4(O)CO)[C@@H]3O)[C@@H](O)N1",
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    "macro_pka_values": [
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        "pka_value": 8.76000022888184,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]