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        "molfile": "\n  Marvin  01132108592D          \n\n 37 35  0  0  0  0            999 V2000\n    9.3079   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0225   -5.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7368   -5.0119    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4515   -5.4242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7368   -4.1869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6096   -4.5584    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.8786   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1641   -5.4247    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    6.7518   -6.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5763   -6.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4494   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7348   -5.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0202   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3055   -5.4247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5909   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8763   -5.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1617   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4471   -5.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7325   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0178   -5.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6968   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4114   -5.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1260   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8406   -5.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5552   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2699   -5.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9845   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6991   -5.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.4138   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.0954   -5.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.8100   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.5246   -5.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -9.2392   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -9.9538   -5.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -10.6685   -5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -11.3831   -5.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5909   -4.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  3  5  2  0  0  0  0\n  3  6  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 10  1  0  0  0  0\n  8 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 15 14  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\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  1  0  0  0  0\n 15 37  2  0  0  0  0\nM  CHG  2   6  -1   8   1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.COS(=O)(=O)[O-]",
        "formula": "C28H59N2O.CH3O4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "550.8802",
        "optical_activity": "NONE",
        "references": [
          "4b5f989f-51b9-4552-85b5-b3f51abd4f7f",
          "14b3a02b-3886-4d0c-b157-fdfd266c0ed2"
        ],
        "stereo_centers": 0
      },
      "unii": "7MY9WEU70B"
    }
  ]
}