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          "molfile": "\n  Marvin  01132108132D          \n\n 26 26  0  0  1  0            999 V2000\n    6.8055   -5.6138    0.0000 C   0  0  1  0  0  0  0  0  0  1  0  0\n    7.3854   -6.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1041   -5.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8055   -4.7841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0868   -4.3740    0.0000 C   0  0  1  0  0  0  0  0  0  2  0  0\n    6.0868   -3.5443    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3725   -3.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3725   -2.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6583   -1.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6583   -1.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9443   -0.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9443    0.1659    0.0000 S   0  0  1  0  0  0  0  0  0  1  0  0\n    3.1453    0.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9011    0.8233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4850   -3.6136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0739   -2.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2489   -2.9644    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4239   -2.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0345   -2.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2489   -3.7894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3725   -4.7841    0.0000 C   0  0  2  0  0  0  0  0  0  1  0  0\n    4.6584   -4.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3725   -5.6138    0.0000 C   0  0  1  0  0  0  0  0  0  2  0  0\n    4.6584   -6.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0868   -6.0240    0.0000 C   0  0  2  0  0  0  0  0  0  2  0  0\n    6.0868   -6.8490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  6  0  0  0\n  1  4  1  0  0  0  0\n 25  1  1  0  0  0  0\n  2  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  5  6  1  6  0  0  0\n  5 21  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7 15  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  1  0  0  0\n 12 14  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 17 19  2  0  0  0  0\n 17 20  2  0  0  0  0\n 21 22  1  1  0  0  0\n 21 23  1  0  0  0  0\n 23 24  1  6  0  0  0\n 23 25  1  0  0  0  0\n 25 26  1  1  0  0  0\nM  END",
          "smiles": "C[S@@](=O)CCCC/C(=N\\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O",
          "formula": "C12H23NO10S3",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "539c0098-65f1-4cf1-9ba4-ed3298d3e4ed"
          },
          "defined_stereo": 6,
          "ez_centers": 1,
          "molecular_weight": "437.5105",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 6
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "6671f2bf-4abb-4bd8-aa7a-f0713d5ad99d",
      "version": "18",
      "structure": {
        "id": "1444d95d-3327-4ae5-97ba-b06b52bd46e0",
        "molfile": "\n  Marvin  01132101152D          \n\n 26 26  0  0  1  0            999 V2000\n    5.3725   -4.7841    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    5.3725   -5.6138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    6.0868   -6.0240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.8055   -5.6138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    6.8055   -4.7841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0868   -4.3740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.0868   -3.5443    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3725   -3.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4850   -3.6136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0739   -2.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2489   -2.9644    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0345   -2.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2489   -3.7894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4239   -2.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3725   -2.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6583   -1.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6583   -1.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9443   -0.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9443    0.1659    0.0000 S   0  3  1  0  0  0  0  0  0  0  0  0\n    3.1453    0.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9011    0.8233    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.3854   -6.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1041   -5.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0868   -6.8490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6584   -6.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6584   -4.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  1  6  1  0  0  0  0\n  6  7  1  6  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 11 13  2  0  0  0  0\n 11 14  1  0  0  0  0\n  8 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 21  1  1  0  0  0\n  4 22  1  6  0  0  0\n 22 23  1  0  0  0  0\n  3 24  1  1  0  0  0\n  2 25  1  6  0  0  0\n  1 26  1  1  0  0  0\nM  CHG  2  19   1  21  -1\nM  END",
        "smiles": "C[S@+](CCCC/C(=N\\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[O-]",
        "formula": "C12H23NO10S3",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 6,
        "ez_centers": 1,
        "molecular_weight": "437.5105",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "ae254b67-c7b7-4360-a2ec-76d753fd27bb",
          "68d13e51-6dc2-4b60-aa8c-5916d38cbbf2"
        ],
        "stereo_centers": 6
      },
      "unii": "Q86A197713"
    }
  ]
}