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      "structure": {
        "id": "52ff8126-b8da-4ed8-816f-13cc5580066b",
        "molfile": "\n  Marvin  01132104192D          \n\n 31 29  0  0  0  0            999 V2000\n    4.3220   -5.0205    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n    3.8926   -6.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6986   -6.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3372   -6.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5877   -5.2816    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    3.8383   -4.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2829   -3.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5334   -3.0995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3737   -5.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9838   -4.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7698   -5.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3798   -4.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1659   -4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7759   -4.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5619   -4.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1719   -4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9580   -4.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5680   -3.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3540   -4.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9640   -3.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7500   -3.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3601   -3.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1461   -3.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7561   -2.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5422   -3.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1522   -2.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8017   -5.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1917   -5.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4057   -5.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7957   -5.8912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3677   -6.3924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0  0  0  0\n  4  2  1  0  0  0  0\n  5  4  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  5  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 13  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 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  1  0  0  0  0\n 21 20  1  0  0  0  0\n 22 21  1  0  0  0  0\n 23 22  1  0  0  0  0\n 24 23  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n  5 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 28 31  1  0  0  0  0\nM  CHG  2   1  -1   5   1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC(CO)O.[Cl-]",
        "formula": "C25H54NO4.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "468.1545",
        "optical_activity": "( + / - )",
        "references": [
          "fbf9e74b-cba4-488d-ad9e-4e74975272cf",
          "02e81d47-1a1d-45fb-86e9-2ae3c2f58d29"
        ],
        "stereo_centers": 1
      },
      "unii": "32II08O72A"
    }
  ]
}