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        "molfile": "\n  Marvin  01132113112D          \n\n 28 29  0  0  0  0            999 V2000\n    8.4923   -4.7725    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1790   -5.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9166   -4.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2670   -4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0830   -3.9844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5760   -4.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3962   -3.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6769   -3.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6034   -5.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6034   -6.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8336   -6.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1790   -6.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8009   -4.3254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0727   -4.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3811   -4.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6437   -4.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9522   -4.1827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2239   -4.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5371   -4.1043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8088   -4.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1732   -5.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8739   -5.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6437   -5.4502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8739   -6.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5330   -7.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0727   -5.5240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0498   -5.4688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9348   -4.0858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  5  1  0  0  0  0\n  8  4  2  0  0  0  0\n  9  3  2  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 12  2  2  0  0  0  0\n 13  1  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  2  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  1  0  0  0  0\n 18 21  2  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  2  0  0  0  0\n 23 16  1  0  0  0  0\n 24 22  1  0  0  0  0\n 25 24  1  0  0  0  0\n 26 14  2  0  0  0  0\n 27  1  2  0  0  0  0\n 28  1  2  0  0  0  0\nM  END",
        "smiles": "CN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",
        "formula": "C15H18N6O6S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "410.4067",
        "optical_activity": "NONE",
        "references": [
          "aa4c9bb0-7c48-4fde-928b-d0c1eb8efbed",
          "013a6618-27b6-499d-8c56-67227c6d4713"
        ],
        "stereo_centers": 0
      },
      "unii": "CG297D9264"
    }
  ]
}