[
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    "molid": "mol8073",
    "smiles": "CN(C)c1nc(N)nc2nccnc12",
    "microspecies": [
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        "smiles": "CN(C)c1nc(N)[nH+]c2nccnc12",
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        "smiles": "CN(C)c1nc([NH3+])nc2nccnc12",
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        "charge": 1,
        "smiles": "CN(C)c1[nH+]c(N)nc2nccnc12",
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        "smiles": "C[NH+](C)c1nc(N)nc2nccnc12",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 6.06,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]