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        "molfile": "\n  Marvin  01132109152D          \n\n 24 21  0  0  1  0            999 V2000\n   12.3962   -5.6159    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n   10.1813   -6.4993    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.1813   -5.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8971   -5.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4703   -5.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7545   -5.6736    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    8.0433   -5.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3277   -5.6736    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.0433   -4.4388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7545   -6.4993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0433   -6.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3277   -6.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0433   -7.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3277   -8.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3277   -8.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6120   -9.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6120  -10.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9009  -10.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9009  -11.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1852  -11.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1852  -12.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4741  -13.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4741  -13.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7379   -8.4084    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  4  3  2  0  0  0  0\n  3  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  7  2  0  0  0  0\n  6 10  1  6  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 11 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 21 22  1  0  0  0  0\n 22 23  1  0  0  0  0\nM  CHG  4   1   1   2  -1   8  -1  24   1\nM  END",
        "smiles": "CCCCCCCCCCCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-].[Na+].[H+]",
        "formula": "C16H27NO5.Na.H",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 1,
        "ez_centers": 0,
        "molecular_weight": "337.3876",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "cb1f1e02-771e-447b-baef-ade823ead524",
          "ced41706-3d04-4aa3-b605-ca1333afb2a0"
        ],
        "stereo_centers": 1
      },
      "unii": "328G13N8ZR"
    }
  ]
}