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      "structure": {
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        "molfile": "\n  Marvin  01132102542D          \n\n 30 29  0  0  0  0            999 V2000\n    7.1960   -3.1969    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    7.1960   -2.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5008   -2.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5008   -1.1944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7873   -2.4142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0462   -2.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3511   -2.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6145   -2.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9010   -2.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1829   -2.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4739   -2.4420    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    0.8893   -1.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9538   -1.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8479   -2.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0791   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9665   -3.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9003   -1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6276   -2.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3319   -1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3319   -1.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6093   -0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9003   -1.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4687   -3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9141   -2.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6276   -3.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6276   -4.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9141   -4.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1960   -4.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3114   -2.3014    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0\n   11.3114   -2.3014    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  2  0  0  0  0\n  5  3  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 11  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 11  1  0  0  0  0\n 17  2  1  0  0  0  0\n 18 17  2  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 22 17  1  0  0  0  0\n 23  1  1  0  0  0  0\n 24  1  1  0  0  0  0\n 25 24  1  0  0  0  0\n 26 25  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28  1  1  0  0  0  0\n  2  1  1  0  0  0  0\nM  CHG  4   1   1  11   1  29  -1  30  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  29  30\nM  SPA   1  1  29\nM  SDI   1  4   10.8914   -2.7214   10.8914   -1.8814\nM  SDI   1  4   11.7314   -1.8814   11.7314   -2.7214\nM  SMT   1 2\nM  END",
        "smiles": "CC[N+](C)(CC)CCOCCOC(=O)C(c1ccccc1)[N+]2(C)CCCCC2.[I-].[I-]",
        "formula": "C23H40N2O3.2I",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "646.3851",
        "optical_activity": "( + / - )",
        "references": [
          "596ea4f5-c818-4172-a96d-c4946b3839c1",
          "ced4ed42-61ce-49e5-bb4a-6d392f1c0a3a"
        ],
        "stereo_centers": 1
      },
      "unii": "KJZ34B234T"
    }
  ]
}