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        "molfile": "\n  Marvin  01132100372D          \n\n 19 20  0  0  0  0            999 V2000\n    2.7000   -4.9291    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    3.4250   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1375   -4.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1399   -3.2693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4226   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8537   -3.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8501   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6353   -4.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1181   -4.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6333   -3.4267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9417   -4.1041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8916   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6958   -2.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9499   -1.6750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1624   -1.4209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5541   -1.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7375   -1.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2000   -0.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6500   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  9 10  1  0  0  0  0\n 10  6  1  0  0  0  0\n  7  8  1  0  0  0  0\n  4  5  2  0  0  0  0\n  9 11  2  0  0  0  0\n  5  2  1  0  0  0  0\n 10 12  1  0  0  0  0\n  6  7  2  0  0  0  0\n 12 13  1  0  0  0  0\n  2  3  2  0  0  0  0\n 13 14  1  0  0  0  0\n  3  7  1  0  0  0  0\n 14 15  1  0  0  0  0\n  1  2  1  0  0  0  0\n 15 16  1  0  0  0  0\n  6  4  1  0  0  0  0\n 14 17  2  0  0  0  0\n 14 18  1  0  0  0  0\n  8  9  1  0  0  0  0\n 18 19  1  0  0  0  0\nM  END",
        "smiles": "COP(=O)(OC)SCn1c2c(cc(cn2)Cl)oc1=O",
        "formula": "C9H10ClN2O5PS",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "324.6792",
        "optical_activity": "NONE",
        "references": [
          "45a88309-27f8-4bab-a165-3c0e7c4266a0",
          "01eebb58-bc07-4e42-8c9e-260871488839"
        ],
        "stereo_centers": 0
      },
      "unii": "9440R8149U"
    }
  ]
}