[
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    "microspecies": [
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        "smiles": "CSc1nc([NH3+])c2ncn([C@@H]3O[C@H](CO[P@](=O)([O-])O[P@@](=O)(O)OP(=O)([O-])O)[C@@H](O)[C@H]3O)c2[nH+]1",
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        "smiles": "CSc1nc([NH3+])c2ncn([C@@H]3O[C@H](CO[P@](=O)([O-])O[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1",
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        "id": "-1_10",
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        "smiles": "CSc1nc(N)c2ncn([C@@H]3O[C@H](CO[P@](=O)([O-])O[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1",
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    "macro_pka_values": [
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        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]