[
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    "molid": "mol13290",
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    "microspecies": [
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        "smiles": "CCN(CC)Cc1cc(Cl)ccc1O",
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    ],
    "macro_pka_values": [
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        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
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        "pka_value": 11.1700000762939,
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        "data_source": "QSARToolbox"
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        "pka_value": 8.11,
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      },
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        "pka_value": 8.1099997,
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        "pka_value": 7.75,
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]