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        "id": "4a0b70f4-7083-4a5c-b0ad-b11c0e9a98bd",
        "molfile": "\n  Marvin  01132103522D          \n\n 21 22  0  0  0  0            999 V2000\n    4.6860   -4.6210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9410   -5.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7659   -5.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0209   -4.6210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3535   -4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3535   -3.3110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8055   -4.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4185   -4.9180    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2032   -4.6631    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6526   -5.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4764   -5.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9258   -6.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8809   -3.9037    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9316   -4.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6313   -4.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3597   -4.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1784   -6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7659   -6.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9410   -6.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5285   -6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5285   -7.5490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\n  5  6  2  0  0  0  0\n  4  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n  9 13  2  0  0  0  0\n  9 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n  3 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 20  2  1  0  0  0  0\n 19 21  1  0  0  0  0\nM  END",
        "smiles": "CCOP(=S)(OCC)SCn1c2ccc(cc2oc1=O)Cl",
        "formula": "C12H15ClNO4PS2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "367.8111",
        "optical_activity": "NONE",
        "references": [
          "38114e49-d57f-4313-8b32-225ac3e4254e",
          "2ead2364-0341-4868-acf0-d0884f0da5a0"
        ],
        "stereo_centers": 0
      },
      "unii": "448B85HT8M"
    }
  ]
}