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        "molfile": "\n  Marvin  01132101172D          \n\n 25 25  0  0  0  0            999 V2000\n   -0.9645   -0.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9653   -1.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2513   -1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4668   -1.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4648   -0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2525    0.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1737    0.0701    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8920   -0.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6015    0.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3198   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0293    0.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7475   -0.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4570    0.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1753   -0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8848    0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6030   -0.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3125    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0308   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7403    0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3270   -1.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1826   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0381   -1.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1796   -1.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8920   -1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1828   -2.4117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  6  1  1  0  0  0  0\n 12 13  1  0  0  0  0\n  1  2  2  0  0  0  0\n 13 14  2  0  0  0  0\n  5  7  1  0  0  0  0\n 14 15  1  0  0  0  0\n  3  4  2  0  0  0  0\n 15 16  1  0  0  0  0\n  7  8  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n  8  9  1  0  0  0  0\n 18 19  1  0  0  0  0\n  4  5  1  0  0  0  0\n 10 20  1  0  0  0  0\n  9 10  2  0  0  0  0\n 14 21  1  0  0  0  0\n  2  3  1  0  0  0  0\n 18 22  1  0  0  0  0\n 10 11  1  0  0  0  0\n  4 23  1  0  0  0  0\n  5  6  2  0  0  0  0\n 23 24  1  0  0  0  0\n 11 12  1  0  0  0  0\n 23 25  2  0  0  0  0\nM  END",
        "smiles": "CC(=CCC/C(=C/CC/C(=C/CSc1ccccc1C(=O)O)/C)/C)C",
        "formula": "C22H30O2S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 2,
        "molecular_weight": "358.5393",
        "optical_activity": "NONE",
        "references": [
          "c0ed3c77-bf00-4397-b850-84e11ec649b4",
          "2ae82e0d-13ed-4f20-8523-5dd93aa481a2",
          "3e2daaba-c3d2-4c79-b8c6-730a8e19b0f3"
        ],
        "stereo_centers": 0
      },
      "unii": "MZH0OM550M"
    }
  ]
}