[
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    "molid": "mol20473",
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    "microspecies": [
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        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1c2ncn3c2nc[n+]1[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]2O[C@@H]3[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O",
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    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]