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        "molfile": "\n  Marvin  01132110512D          \n\n 23 24  0  0  0  0            999 V2000\n    5.3223   -4.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3223   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6079   -5.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8936   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8936   -4.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6079   -3.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6079   -6.2219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0366   -5.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7510   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4653   -5.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1796   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1796   -4.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4653   -3.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7510   -4.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8941   -3.7460    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4814   -3.0316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3066   -4.4604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6084   -3.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4653   -6.2219    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    8.1796   -6.6344    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.7510   -6.6344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0366   -6.2219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0366   -3.7460    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  3  7  2  0  0  0  0\n  2  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  2  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13 14  1  0  0  0  0\n  9 14  2  0  0  0  0\n 12 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 15 17  2  0  0  0  0\n 15 18  1  0  0  0  0\n 10 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 21  2  0  0  0  0\n  8 22  2  0  0  0  0\n  1 23  2  0  0  0  0\nM  CHG  2  19   1  20  -1\nM  END",
        "smiles": "CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C(=O)C2C(=O)CCCC2=O",
        "formula": "C14H13NO7S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "339.3222",
        "optical_activity": "NONE",
        "references": [
          "fa527ee9-3b03-4e97-a0c1-9bf5ead4b43a",
          "235ba3f5-ed13-41c1-9e9e-4d4c998cad4b"
        ],
        "stereo_centers": 0
      },
      "unii": "48TR68G21T"
    }
  ]
}