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          "citation": "WHO-DD",
          "doc_type": "WHO DRUG DICTIONARY",
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          "citation": "EPA CompTox",
          "doc_type": "EPA",
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          "smiles": "c1cc(cnc1)CO",
          "formula": "C6H7NO",
          "atropisomerism": "No",
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          "stereochemistry": "ACHIRAL",
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          "smiles": "[C@@H]([C@H](C(=O)O)O)(C(=O)O)O",
          "formula": "C4H6O6",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
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            "units": "MOL RATIO",
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          "molecular_weight": "150.087",
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      "definition_level": "COMPLETE",
      "uuid": "1fcc5097-8407-4082-aaeb-b67c21aee6b7",
      "version": "11",
      "structure": {
        "id": "6491e4fd-bc8f-4bda-9b00-e09c71c020c3",
        "molfile": "\n  Marvin  01132105142D          \n\n 18 17  0  0  1  0            999 V2000\n    0.1044   -2.5516    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    0.6997   -2.8962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   -0.4908   -2.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2949   -2.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4978   -3.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2880   -1.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0975   -1.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6927   -3.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0861   -2.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8867   -2.8962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1041   -3.1782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3800   -1.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3800   -2.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8971   -1.9668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6699   -1.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8212   -2.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1041   -1.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8212   -1.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  5  3  2  0  0  0  0\n  6  4  2  0  0  0  0\n  1  7  1  6  0  0  0\n  2  8  1  6  0  0  0\n  9  3  1  0  0  0  0\n 10  4  1  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  1  0  0  0  0\n  4  2  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13 11  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 12  1  0  0  0  0\n 16 11  2  0  0  0  0\n 17 18  2  0  0  0  0\n 18 16  1  0  0  0  0\n 17 12  1  0  0  0  0\nM  END",
        "smiles": "c1cc(cnc1)CO.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O",
        "formula": "C6H7NO.C4H6O6",
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        "stereochemistry": "ABSOLUTE",
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}