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        "molfile": "\n  Marvin  01132104322D          \n\n 33 34  0  0  1  0            999 V2000\n    6.8328   -3.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1179   -3.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4029   -3.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6882   -3.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6882   -4.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9732   -4.8102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2582   -4.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2582   -3.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9732   -3.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5434   -4.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8332   -5.2222    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5434   -5.6340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8332   -4.3984    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4029   -4.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1179   -4.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8328   -4.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8328   -2.3389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5475   -3.5746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2578   -3.1627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.2578   -2.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9728   -3.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6876   -3.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4025   -3.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4025   -4.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6876   -4.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9728   -4.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6876   -5.6340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1174   -4.8102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8324   -4.3984    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2443   -5.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4204   -3.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5426   -3.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1174   -3.1627    0.0000 F   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  5  4  1  0  0  0  0\n  5  6  2  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  2  0  0  0  0\n  9  8  1  0  0  0  0\n  4  9  2  0  0  0  0\n  7 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 10 12  1  0  0  0  0\n 10 13  1  0  0  0  0\n  5 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n  1 17  2  0  0  0  0\n  1 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  6  0  0  0\n 19 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  2  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  2  0  0  0  0\n 25 26  1  0  0  0  0\n 21 26  2  0  0  0  0\n 25 27  1  0  0  0  0\n 24 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  2  0  0  0  0\n 29 31  2  0  0  0  0\n 29 32  1  0  0  0  0\n 23 33  1  0  0  0  0\nM  END",
        "smiles": "CCCc1c(ccc(C(F)(F)F)n1)/C=C/C(=O)N[C@H](C)c2cc(c(c(c2)F)NS(=O)(=O)C)F",
        "formula": "C21H22F5N3O3S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 1,
        "ez_centers": 1,
        "molecular_weight": "491.4766",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "cad2ea7a-5c15-4252-87bc-6bb1e5aa6bb8",
          "1da3184e-2bd5-472e-9122-48d7bc7df06d",
          "84989939-0460-fef7-857f-670b04dcfbde"
        ],
        "stereo_centers": 1
      },
      "unii": "3VF7K7Z10B"
    }
  ]
}