[
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    "microspecies": [
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        "smiles": "C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@](C)(O)[C@@H]3C[C@H]12",
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        "smiles": "C[NH+](C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@]2(O)C([O-])=C3C(=O)c4c(O)cccc4[C@](C)(O)[C@@H]3C[C@H]12",
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        "smiles": "C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C([O-])=C3C(=O)c4c([O-])cccc4[C@](C)(O)[C@@H]3C[C@H]12",
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        "id": "-4_4",
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        "smiles": "CN(C)[C-]1C([O-])=C(C(N)=O)C(=O)[C@]2([O-])C(O)=C3C(=O)c4c(O)cccc4[C@](C)([O-])[C@@H]3C[C@H]12",
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        "smiles": "CN(C)[C@@H]1C([O-])=C(C([NH-])=O)C(=O)[C@]2([O-])C([O-])=C3C(=O)c4c(O)cccc4[C@](C)(O)[C@@H]3C[C@H]12",
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        "relative_population": 0.050061736537805816
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        "id": "-4_29",
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        "smiles": "CN(C)[C-]1C([O-])=C(C(N)=O)C(=O)[C@]2([O-])C([O-])=C3C(=O)c4c(O)cccc4[C@](C)(O)[C@@H]3C[C@H]12",
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        "relative_population": 0.08758041476465302
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        "id": "-4_30",
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        "smiles": "CN(C)[C-]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C([O-])=C3C(=O)c4c(O)cccc4[C@](C)([O-])[C@@H]3C[C@H]12",
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        "relative_population": 0.07884233428835737
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        "id": "-3_16",
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        "smiles": "CN(C)[C-]1C(O)=C(C(N)=O)C(=O)[C@]2(O)C([O-])=C3C(=O)c4c([O-])cccc4[C@](C)(O)[C@@H]3C[C@H]12",
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        "smiles": "CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2([O-])C([O-])=C3C(=O)c4c(O)cccc4[C@](C)(O)[C@@H]3C[C@H]12",
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        "smiles": "CN(C)[C-]1C(O)=C(C(N)=O)C(=O)[C@]2([O-])C([O-])=C3C(=O)c4c(O)cccc4[C@](C)(O)[C@@H]3C[C@H]12",
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        "id": "-1_3",
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        "smiles": "C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C([O-])=C3C(=O)c4c(O)cccc4[C@](C)(O)[C@@H]3C[C@H]12",
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        "id": "-1_7",
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        "smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@]2(O)C([O-])=C3C(=O)c4c(O)cccc4[C@](C)(O)[C@@H]3C[C@H]12",
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        "smiles": "CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@](C)(O)[C@@H]3C[C@H]12",
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    "macro_pka_values": [
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        "pka_value": 3.34,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
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        "pka_value": 3.3,
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        "data_source": "QSARToolbox"
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        "data_source": "QSARToolbox"
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        "data_source": "QSARToolbox"
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]