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        "molfile": "\n  Marvin  01132100242D          \n\n 30 28  0  0  0  0            999 V2000\n   14.5175  -11.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5092  -10.6137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8057  -11.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9790  -11.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2315  -11.8537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8035  -11.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5197  -11.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2650  -11.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0896  -11.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2295  -11.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5510  -11.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9812  -11.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6951  -11.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3756  -11.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8371  -11.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1231  -11.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4091  -11.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6616  -11.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9476  -11.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2630  -11.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7619  -11.4487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3382  -10.6137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9039  -11.8620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3800  -11.8495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0480  -11.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4759  -11.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7662  -10.6220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1899  -11.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3340  -11.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0522  -10.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  7 10  1  0  0  0  0\n  8  4  1  0  0  0  0\n  9  6  1  0  0  0  0\n 10 19  1  0  0  0  0\n 11  8  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 17  1  0  0  0  0\n 14  9  1  0  0  0  0\n 15 11  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 14  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 12  1  0  0  0  0\n  2  1  2  0  0  0  0\n  3  7  1  0  0  0  0\n  4  3  2  0  0  0  0\n  5  1  1  0  0  0  0\n  6  1  1  0  0  0  0\n 22 30  1  0  0  0  0\n 23 28  1  0  0  0  0\n 24 29  1  0  0  0  0\n 25 21  1  0  0  0  0\n 26 21  1  0  0  0  0\n 27 21  1  0  0  0  0\n 28 26  1  0  0  0  0\n 29 25  1  0  0  0  0\n 30 27  1  0  0  0  0\nM  END",
        "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O.C(CO)N(CCO)CCO",
        "formula": "C18H34O2.C6H15NO3",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "431.6505",
        "optical_activity": "NONE",
        "references": [
          "bfa15980-6380-4545-a75c-db5c785af8a7",
          "5f2e3d6e-243b-4bd7-a3f1-cd67cf1808f8"
        ],
        "stereo_centers": 0
      },
      "unii": "DZ7P3IE35F"
    }
  ]
}