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        "molfile": "\n  Marvin  01132102362D          \n\n 13 13  0  0  1  0            999 V2000\n   -3.5083   -2.5501    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6833   -2.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4265   -1.7659    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   -3.0958   -1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7608   -1.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7166   -1.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0041   -1.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7208   -0.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0971   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3833   -0.0406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8122   -0.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5291   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2458   -0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  6  1  6  0  0  0\n  1  2  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  2  0  0  0  0\n  4  9  1  0  0  0  0\n  2  3  1  0  0  0  0\n  9 10  2  0  0  0  0\n  3  4  1  0  0  0  0\n  9 11  1  0  0  0  0\n  4  5  1  0  0  0  0\n 11 12  1  0  0  0  0\n  5  1  1  0  0  0  0\n 12 13  1  0  0  0  0\nM  END",
        "smiles": "CCOC(=O)N1CSC[C@H]1C(=O)O",
        "formula": "C7H11NO4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 1,
        "ez_centers": 0,
        "molecular_weight": "205.2329",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "afce616f-f44c-4f26-9152-94fc5ff88ef0",
          "f41266fd-278c-4c21-97d1-b1a1ea41db8f",
          "eadf547e-78ab-4ac9-a396-fe2998f0ac38"
        ],
        "stereo_centers": 1
      },
      "unii": "124I3FE35T"
    }
  ]
}