[
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    "smiles": "Cc1nc2c(nc1C)C(O)NC=N2",
    "microspecies": [
      {
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        "smiles": "Cc1nc2c(nc1C)[C@@H](O)NC=N2",
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        "smiles": "Cc1nc2c([nH+]c1C)N=CN[C@@H]2O",
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        "smiles": "Cc1nc2c([nH+]c1C)[C@@H](O)NC=N2",
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      {
        "id": "1_6",
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        "smiles": "Cc1nc2c(nc1C)[C@@H](O)NC=[NH+]2",
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    "macro_pka_values": [
      {
        "pka_value": 2.9300000667572,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]