[
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    "molid": "mol4228",
    "smiles": "Nc1cc(N)nc(N)n1",
    "microspecies": [
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        "smiles": "Nc1cc([NH3+])nc([NH3+])n1",
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        "smiles": "Nc1cc([NH3+])[nH+]c(N)n1",
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        "smiles": "Nc1nc([NH3+])cc([NH3+])n1",
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    ],
    "macro_pka_values": [
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        "pka_value": 6.81,
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        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": 6.72,
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        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
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        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": 6.5,
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        "data_source": "OCHEM"
      },
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        "pka_value": 6.84000015258789,
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        "data_source": "QSARToolbox"
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        "data_source": "QSARToolbox"
      },
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        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": 1.30999994277954,
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        "data_source": "QSARToolbox"
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]