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          "molfile": "\n  Marvin  01132107092D          \n\n 20 19  0  0  0  0            999 V2000\n   10.2825  -11.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5650  -11.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8449  -11.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1171  -11.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4047  -11.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6846  -11.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9852  -11.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2600  -11.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5476  -11.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8275  -11.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1230  -11.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4029  -11.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6828  -11.7613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9782  -11.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9782  -10.5328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2659  -11.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2581  -12.5847    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5497  -12.5924    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.0479  -12.5614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2813  -13.4441    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  6  7  1  0  0  0  0\n  7  8  1  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  0  0  0  0\n 13 14  1  0  0  0  0\n 15 14  2  0  0  0  0\n 14 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 17  2  0  0  0  0\n 20 17  2  0  0  0  0\nM  CHG  1  18  -1\nM  END",
          "smiles": "CCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-]",
          "formula": "C14H27O5S",
          "atropisomerism": "No",
          "charge": -1,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "4caa8a33-d425-4ec9-a370-dcc2b7ad0a20"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "307.4278",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "d3ab50d1-07d0-4106-8fbb-443f235fd404",
      "version": "12",
      "structure": {
        "id": "36758d45-de36-4682-b291-855183395731",
        "molfile": "\n  Marvin  01132102542D          \n\n 21 19  0  0  0  0            999 V2000\n    0.2581  -12.5847    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2659  -11.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9782  -11.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5497  -12.5924    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.0479  -12.5614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2813  -13.4441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9782  -10.5328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6828  -11.7613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4029  -11.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1230  -11.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5650  -11.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8449  -11.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6846  -11.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4047  -11.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1171  -11.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8275  -11.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5476  -11.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2600  -11.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9852  -11.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2825  -11.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9369  -11.5678    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  1  1  0  0  0  0\n  5  1  2  0  0  0  0\n  6  1  2  0  0  0  0\n  7  3  2  0  0  0  0\n  8  3  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 15  1  0  0  0  0\n 13 19  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 10  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 11  1  0  0  0  0\nM  CHG  2   4  -1  21   1\nM  END",
        "smiles": "CCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-].[Na+]",
        "formula": "C14H27O5S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "330.4176",
        "optical_activity": "NONE",
        "references": [
          "27793e75-da7b-4d5b-8ccd-e629be56c2f8",
          "5319e6c8-02db-4a1c-bc62-552c698fa542"
        ],
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      },
      "unii": "D0Y70F2B9J"
    }
  ]
}