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      "structure": {
        "id": "fa5a1987-a2b9-48f2-bf7e-a56d36b92e54",
        "molfile": "\n  Marvin  01132112582D          \n\n 33 31  0  0  0  0            999 V2000\n   13.3121   -1.6950    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n   11.7779   -1.3644    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   11.3653   -0.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4923   -0.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0633   -1.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1904   -3.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7779   -2.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1904   -2.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9528   -2.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7779   -4.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0155   -4.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7779  -19.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1904  -19.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7779  -18.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1904  -17.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7779  -17.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1904  -16.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7779  -15.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1904  -14.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7779  -14.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1904  -13.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7779  -12.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1904  -12.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7779  -11.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1904  -10.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7779   -9.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1904   -9.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7779   -8.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1904   -7.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7779   -7.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1904   -6.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7779   -5.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1904   -4.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  8  2  1  0  0  0  0\n  5  2  1  0  0  0  0\n  4  2  1  0  0  0  0\n  3  2  1  0  0  0  0\n 10  6  1  0  0  0  0\n  9  7  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n 33 10  1  0  0  0  0\n 33 11  2  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 25 24  1  0  0  0  0\n 26 25  1  0  0  0  0\n 27 26  1  0  0  0  0\n 28 27  1  0  0  0  0\n 29 28  1  0  0  0  0\n 30 29  1  0  0  0  0\n 31 30  1  0  0  0  0\n 32 31  1  0  0  0  0\n 33 32  1  0  0  0  0\nM  CHG  2   1  -1   2   1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)C)O.[Cl-]",
        "formula": "C28H58NO3.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "492.219",
        "optical_activity": "( + / - )",
        "references": [
          "597b98c6-907a-4e2a-9d68-b6dcbd947d80",
          "4e508b39-04dc-4450-930d-71d58ed70ab5"
        ],
        "stereo_centers": 1
      },
      "unii": "79O72LEW2A"
    }
  ]
}