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        "molfile": "\n  Marvin  01132107422D          \n\n 27 28  0  0  0  0            999 V2000\n    4.2758   -4.3858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5438   -3.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8386   -4.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8386   -5.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5687   -5.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5687   -6.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9079   -6.4561    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1158   -6.4561    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5687   -7.2661    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2758   -5.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9947   -5.6162    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4703   -4.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6068   -6.3026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7140   -6.0215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4374   -5.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4374   -4.9551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1474   -6.0296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8674   -5.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5805   -6.0320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2956   -5.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0103   -6.0848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6849   -5.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2956   -4.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5840   -4.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5840   -3.5571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3050   -3.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8674   -4.7929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  1  0  0  0  0\n  6  9  1  0  0  0  0\n  5 10  1  0  0  0  0\n 10  1  2  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 14 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 15 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  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 20 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 24 27  1  0  0  0  0\n 27 18  2  0  0  0  0\nM  END",
        "smiles": "COc1cc(nc(n1)NC(=O)NS(=O)(=O)c2c(cccn2)C(F)(F)F)OC",
        "formula": "C13H12F3N5O5S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "407.3267",
        "optical_activity": "NONE",
        "references": [
          "79fc46f5-3bfa-49a8-8f6c-553f1ae4dcda",
          "da260471-c974-49e9-9af5-75371031b13b"
        ],
        "stereo_centers": 0
      },
      "unii": "3SB13WWV30"
    }
  ]
}