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      "structure": {
        "id": "635df196-b68d-4db3-98e3-4507fc35890c",
        "molfile": "\n  Marvin  01132105092D          \n\n 30 27  0  0  0  0            999 V2000\n    2.8068   -1.8016    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.5212   -2.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5212   -3.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2357   -1.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9502   -2.2141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6647   -1.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3792   -2.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0936   -1.8016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8081   -2.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8081   -3.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5226   -1.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2371   -2.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9515   -1.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6660   -2.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3804   -1.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0950   -2.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8094   -1.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5239   -2.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2383   -1.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9528   -2.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6673   -1.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9502   -3.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6647   -3.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6647   -4.2766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3792   -4.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3792   -5.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6647   -5.9267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0936   -5.7727    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.4598   -5.6153    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   10.4598   -5.6153    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0  0  0  0\n  4  2  1  0  0  0  0\n  5  4  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n 10  9  2  0  0  0  0\n 11  9  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  5 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 24 23  1  0  0  0  0\n 25 24  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  2  0  0  0  0\n 26 28  1  0  0  0  0\n  2  1  1  0  0  0  0\nM  CHG  4   1  -1  28  -1  29   1  30   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  29  30\nM  SPA   1  1  29\nM  SDI   1  4   10.0398   -6.0353   10.0398   -5.1953\nM  SDI   1  4   10.8798   -5.1953   10.8798   -6.0353\nM  SMT   1 2\nM  END",
        "smiles": "CCCCCCCCCCCC(=O)NCCN(CCOCC(=O)[O-])CC(=O)[O-].[Na+].[Na+]",
        "formula": "C20H36N2O6.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "446.49",
        "optical_activity": "NONE",
        "references": [
          "e012a63a-bd1f-4cee-b945-1c001873cdbb",
          "517c3042-5ff8-4958-b051-043e16ea1d25"
        ],
        "stereo_centers": 0
      },
      "unii": "R4HKX6I64R"
    }
  ]
}