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        "molfile": "\n  Marvin  01132102492D          \n\n 33 26  0  0  1  0            999 V2000\n   14.0131   -9.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8373   -9.9979    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6617   -9.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8373  -10.8265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8373   -9.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8345   -9.2224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8345  -10.0464    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   12.5478  -10.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5478  -11.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1211  -10.4609    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   11.1211  -11.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4076  -10.0464    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   10.4076   -9.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6894  -10.4609    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    9.6894  -11.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9763  -10.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2626  -10.4609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9407  -10.6280    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   19.1874  -10.6280    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n   17.9407  -10.6280    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   19.1874  -10.6280    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n   11.8345   -9.2224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8345  -10.0464    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   12.5478  -10.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5478  -11.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1211  -10.4609    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   11.1211  -11.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4076  -10.0464    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   10.4076   -9.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6894  -10.4609    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    9.6894  -11.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9763  -10.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2626  -10.4609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  2  0  0  0  0\n  7  6  1  1  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n 10  7  1  0  0  0  0\n 10 11  1  1  0  0  0\n 12 10  1  0  0  0  0\n 12 13  1  1  0  0  0\n 14 12  1  0  0  0  0\n 14 15  1  6  0  0  0\n 16 14  1  0  0  0  0\n 17 16  1  0  0  0  0\n  2  5  2  0  0  0  0\n  2  1  1  0  0  0  0\n 23 22  1  1  0  0  0\n 23 24  1  0  0  0  0\n 26 23  1  0  0  0  0\n 24 25  2  0  0  0  0\n 26 27  1  1  0  0  0\n 28 26  1  0  0  0  0\n 28 29  1  1  0  0  0\n 30 28  1  0  0  0  0\n 30 31  1  6  0  0  0\n 32 30  1  0  0  0  0\n 33 32  1  0  0  0  0\nM  CHG  4  18   1  19  -1  20   1  21  -1\nM  STY  2   1 MUL   2 MUL\nM  SCN  1   1 HT \nM  SAL   1  4  18  19  20  21\nM  SPA   1  2  18  19\nM  SDI   1  4   17.5207  -11.0480   17.5207  -10.2080\nM  SDI   1  4   19.6074  -10.2080   19.6074  -11.0480\nM  SMT   1 2\nM  SCN  1   2 HT \nM  SAL   2 15   6   7   8   9  10  11  12  13  14  15  16  17  22  23  24\nM  SAL   2  9  25  26  27  28  29  30  31  32  33\nM  SPA   2 12   6   7   8   9  10  11  12  13  14  15  16  17\nM  SDI   2  4    7.8426  -11.7051    7.8426   -8.8024\nM  SDI   2  4   12.9678   -8.8024   12.9678  -11.7051\nM  SMT   2 2\nM  END",
        "smiles": "C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)N.C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)N.[Cl-].[Cl-].[Na+].[Na+].OS(=O)(=O)O",
        "formula": "2C6H13NO5.2Cl.2Na.H2O4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 8,
        "ez_centers": 0,
        "molecular_weight": "573.3077",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "c8bb48c7-6907-4a62-b947-2fa6093dcc42",
          "d0273992-99f2-4bb9-9765-2e5648e92baa"
        ],
        "stereo_centers": 8
      },
      "unii": "7RI65CXJ9S"
    }
  ]
}