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        "molfile": "\n  Marvin  01132106222D          \n\n 27 24  0  0  1  0            999 V2000\n   13.9233   -4.3319    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   13.3482   -3.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3482   -3.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7686   -4.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1850   -3.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6054   -4.2932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   11.6054   -4.9673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0528   -5.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3019   -6.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7494   -6.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9986   -7.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4459   -8.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6953   -9.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1425   -9.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4003  -10.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8440  -11.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0975  -11.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5429  -12.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7963  -13.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2405  -13.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4983  -14.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2529   -5.3616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0344   -3.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0344   -3.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4766   -4.2932    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   14.6403   -4.3319    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   14.7049   -5.2792    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  2  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  6  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n  8 22  2  0  0  0  0\n  6 23  1  0  0  0  0\n 24 23  2  0  0  0  0\n 25 23  1  0  0  0  0\nM  CHG  4   1  -1  25  -1  26   1  27   1\nM  END",
        "smiles": "CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[H+]",
        "formula": "C19H33NO5.Na.H",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 1,
        "ez_centers": 0,
        "molecular_weight": "379.4675",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "b262f3f4-b1dd-43a7-8bc2-7069ab532054",
          "afac1f55-114e-4cce-8b57-af38539a8dd7"
        ],
        "stereo_centers": 1
      },
      "unii": "AYU7QD893W"
    }
  ]
}