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        "molfile": "\n  Marvin  01132111562D          \n\n 21 21  0  0  0  0            999 V2000\n    6.9379   -4.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6642   -4.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3899   -4.3443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3899   -3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1200   -3.0496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8892   -3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5798   -3.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6642   -3.0496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9379   -3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2083   -3.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6642   -5.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3899   -6.0116    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1200   -6.4432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8892   -6.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1200   -7.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8183   -5.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9632   -6.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2083   -4.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4426   -4.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7020   -4.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9759   -4.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  8  4  1  0  0  0  0\n  9  8  2  0  0  0  0\n  1  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n  2 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 13 15  1  0  0  0  0\n 12 16  2  0  0  0  0\n 12 17  2  0  0  0  0\n  1 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\nM  END",
        "smiles": "CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C",
        "formula": "C13H24N4O3S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "316.4213",
        "optical_activity": "NONE",
        "references": [
          "032ccbab-8f68-4427-9259-dd6b8177d2ca",
          "6e393814-9f9f-4027-b902-4824b83f6b02"
        ],
        "stereo_centers": 0
      },
      "unii": "MCJ121RIOI"
    }
  ]
}