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        "molfile": "\n  Marvin  01132106142D          \n\n 16 17  0  0  0  0            999 V2000\n   -0.1838   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5382   -1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8913   -1.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2477   -1.0624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1888   -0.2551    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5451   -2.3106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6014   -1.0797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9578   -1.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8894   -2.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9069    0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6043   -0.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9628   -2.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6718   -1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3818   -1.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6809   -2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3848   -2.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  2  0  0  0  0\n  4  2  1  0  0  0  0\n  5  1  1  0  0  0  0\n  6  2  2  0  0  0  0\n  7  3  1  0  0  0  0\n  8  4  1  0  0  0  0\n  9  3  1  0  0  0  0\n 10  5  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12  8  2  0  0  0  0\n 13  8  1  0  0  0  0\n 14 13  2  0  0  0  0\n 15 12  1  0  0  0  0\n 16 14  1  0  0  0  0\n 11  7  1  0  0  0  0\n 16 15  2  0  0  0  0\nM  END",
        "smiles": "CC1=C(C(=O)Nc2ccccc2)SCCO1",
        "formula": "C12H13NO2S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "235.3037",
        "optical_activity": "NONE",
        "references": [
          "c1754564-f1ec-43f6-90c7-c75737fd954f",
          "e623012f-89d3-486f-90a4-3c403eb1668a"
        ],
        "stereo_centers": 0
      },
      "unii": "5A8K850HDE"
    }
  ]
}