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        "molfile": "\n  Marvin  01132106422D          \n\n 32 32  0  0  0  0            999 V2000\n    4.1096   -4.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4018   -3.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6837   -4.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3812   -4.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1173   -3.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6837   -3.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8070   -4.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4122   -2.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5431   -4.3291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9682   -4.7217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1251   -1.8520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2579   -4.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8147   -5.5302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2405   -4.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7044   -1.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8457   -3.0712    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3812   -5.5431    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9863   -3.0557    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2579   -3.4741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9844   -4.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1380   -1.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8535   -0.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9844   -3.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5638   -1.0332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5431   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5528   -4.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4102   -4.3653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5715    0.6147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1911   -4.2826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6870   -4.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8612    0.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8989   -4.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  5  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  1  2  0  0  0  0\n  5  1  1  0  0  0  0\n  6  2  1  0  0  0  0\n  7  1  1  0  0  0  0\n  8  2  1  0  0  0  0\n  9  7  1  0  0  0  0\n 10  3  1  0  0  0  0\n 11  8  1  0  0  0  0\n 12 10  1  0  0  0  0\n 13  7  2  0  0  0  0\n 14  9  1  0  0  0  0\n 15  8  2  0  0  0  0\n 16  5  1  0  0  0  0\n 17  4  1  0  0  0  0\n 18  6  1  0  0  0  0\n 19 12  2  0  0  0  0\n 20 14  1  0  0  0  0\n 21 11  1  0  0  0  0\n 22 21  1  0  0  0  0\n 20 23  1  0  0  0  0\n 22 24  1  0  0  0  0\n 25  9  1  0  0  0  0\n 26 12  1  0  0  0  0\n 27 30  1  0  0  0  0\n 28 31  1  0  0  0  0\n 29 26  1  0  0  0  0\n 30 20  1  0  0  0  0\n 31 22  1  0  0  0  0\n 32 29  1  0  0  0  0\n  6  3  2  0  0  0  0\nM  END",
        "smiles": "CN(CC(CO)O)C(=O)c1c(c(c(c(c1I)NC(=O)COC)I)C(=O)NCC(CO)O)I",
        "formula": "C18H24I3N3O8",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "MIXED",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "791.1126",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "85243490-6ea2-40d0-a5b4-6bab9806eb17",
          "e2a75ac5-bc45-4ad4-bf3b-28ed538d88d4",
          "122308bf-427b-4dd6-9032-2e804dd37c63"
        ],
        "stereo_centers": 2
      },
      "unii": "712BAC33MZ"
    }
  ]
}