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        "molfile": "\n  Marvin  01132112152D          \n\n 33 32  0  0  1  0            999 V2000\n    1.5742   -2.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2881   -3.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8602   -3.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2881   -2.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8602   -2.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5742   -3.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5699   -1.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1420   -3.9081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0021   -3.9123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5803   -3.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7161   -3.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8477   -1.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0021   -2.2463    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1420   -2.2547    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5699   -4.7390    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7161   -2.6680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5803   -2.6680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2839   -1.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4301   -3.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2943   -3.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9832   -2.6597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    8.6972   -3.0731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    9.4112   -2.6597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    7.2692   -3.0731    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.6889   -3.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9749   -1.8330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8391   -2.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4028   -1.8330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2609   -3.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1251   -3.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8413   -3.0814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5553   -2.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5531   -3.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  8  3  1  0  0  0  0\n  9  2  1  0  0  0  0\n 10  8  1  0  0  0  0\n 11  9  1  0  0  0  0\n 12  7  2  0  0  0  0\n 13  4  1  0  0  0  0\n 14  5  1  0  0  0  0\n 15  6  1  0  0  0  0\n 16 11  2  0  0  0  0\n 17 10  2  0  0  0  0\n 18  7  1  0  0  0  0\n 19 11  1  0  0  0  0\n 20 10  1  0  0  0  0\n  6  2  2  0  0  0  0\n  2  4  1  0  0  0  0\n  3  5  2  0  0  0  0\n  4  1  2  0  0  0  0\n  5  1  1  0  0  0  0\n  6  3  1  0  0  0  0\n  7  1  1  0  0  0  0\n 22 21  1  0  0  0  0\n 23 22  1  0  0  0  0\n 24 21  1  0  0  0  0\n 22 25  1  1  0  0  0\n 21 26  1  1  0  0  0\n 27 30  1  0  0  0  0\n 23 28  1  1  0  0  0\n 24 29  1  6  0  0  0\n 30 23  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 24  1  0  0  0  0\n 33 27  1  0  0  0  0\nM  END",
        "smiles": "CC(=O)Nc1c(c(c(c(c1I)NC(=O)C)I)C(=O)O)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O",
        "formula": "C11H9I3N2O4.C7H17NO5",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 4,
        "ez_centers": 0,
        "molecular_weight": "809.1279",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "8e7b58b0-d66b-42b6-8f37-5362027324e4",
          "8459aad9-08e8-49d8-93b5-451a2442ea3f"
        ],
        "stereo_centers": 4
      },
      "unii": "3X9MR4N98U"
    }
  ]
}