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        "molfile": "\n  Marvin  01132100522D          \n\n 28 26  0  0  0  0            999 V2000\n   17.2366   -3.5389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    2.2417   -6.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9562   -6.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6707   -6.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3852   -6.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0996   -6.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8141   -6.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5286   -6.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2431   -6.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2431   -5.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9575   -5.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6720   -5.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3865   -5.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1010   -5.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8154   -5.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5299   -5.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2443   -5.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9588   -5.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6733   -5.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6733   -4.1949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3877   -5.4324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3877   -6.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1022   -5.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8167   -5.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.5312   -5.0199    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   17.2456   -4.6074    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   16.9437   -5.7344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1186   -4.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  2  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 19 20  2  0  0  0  0\n 21 19  1  0  0  0  0\n 21 22  1  0  0  0  0\n 23 21  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 25 27  2  0  0  0  0\n 25 28  2  0  0  0  0\nM  CHG  2   1   1  26  -1\nM  END",
        "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)N(C)CCS(=O)(=O)[O-].[Na+]",
        "formula": "C21H40NO4S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "425.6033",
        "optical_activity": "NONE",
        "references": [
          "b43a473d-1301-4e8b-9f03-e2171fc96190",
          "04941009-0b7f-4a09-ae93-4d9c3805e965"
        ],
        "stereo_centers": 0
      },
      "unii": "8PZ076134H"
    }
  ]
}