[
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        "smiles": "[NH3+]c1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)([O-])O)[C@@H](O)[C@H]1O",
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    "macro_pka_values": [
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        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]