[
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    "molid": "mol8074",
    "smiles": "CN(C)c1nc(N)c2nccnc2n1",
    "microspecies": [
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        "smiles": "CN(C)c1nc(N)c2nccnc2n1",
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        "smiles": "CN(C)c1nc(N)c2nccnc2[nH+]1",
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        "smiles": "C[NH+](C)c1nc(N)c2nccnc2n1",
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        "smiles": "CN(C)c1nc2nccnc2c(N)[nH+]1",
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        "smiles": "CN(C)c1nc(N)c2[nH+]ccnc2n1",
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        "smiles": "CN(C)c1nc(N)c2ncc[nH+]c2n1",
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        "id": "1_6",
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        "smiles": "CN(C)c1nc([NH3+])c2nccnc2n1",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 5.34,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]