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        "molfile": "\n  Marvin  01132100372D          \n\n 23 24  0  0  0  0            999 V2000\n    8.0437   -3.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7547   -2.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4682   -3.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4682   -4.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7567   -4.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0437   -4.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2551   -4.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9998   -5.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4017   -6.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8082   -6.8439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1725   -5.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9220   -4.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5838   -4.1520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5838   -3.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8641   -2.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1538   -3.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4434   -2.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1212   -4.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6163   -5.0819    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7053   -3.7080    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1490   -4.1426    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7519   -6.1335    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n   10.1777   -2.9883    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  2  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  6  5  1  0  0  0  0\n  1  6  2  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  3  0  0  0  0\n 11  8  1  0  0  0  0\n 12 11  2  0  0  0  0\n 13 12  1  0  0  0  0\n  7 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 12 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 18 20  1  0  0  0  0\n 18 21  1  0  0  0  0\n 11 22  1  0  0  0  0\n  3 23  1  0  0  0  0\nM  END",
        "smiles": "CCOCn1c(-c2ccc(cc2)Cl)c(C#N)c(c1C(F)(F)F)Br",
        "formula": "C15H11BrClF3N2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "407.6129",
        "optical_activity": "NONE",
        "references": [
          "fed08f9b-f102-4c41-b0db-391b157a7ea6",
          "7203f561-c834-4cd4-81ec-725de7b223de"
        ],
        "stereo_centers": 0
      },
      "unii": "NWI20P05EB"
    }
  ]
}