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        "molfile": "\n  Marvin  01132104562D          \n\n 26 28  0  0  1  0            999 V2000\n    4.7410   -7.5449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9972   -6.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8044   -6.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3555   -7.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0994   -7.9886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2922   -8.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1096   -6.8700    0.0000 N   0  0  1  0  0  0  0  0  0  0  0  0\n    6.2180   -5.8766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0247   -6.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8939   -7.1261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.5618   -6.6425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2282   -7.1282    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    8.9721   -7.9120    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.1475   -7.9108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    9.3847   -8.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7350   -8.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4138   -6.1774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9427   -6.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6572   -7.1282    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3716   -6.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0861   -7.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8006   -6.7157    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   13.5151   -7.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2296   -6.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7570   -5.7726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5151   -7.9532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  2  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  1  6  2  0  0  0  0\n  6  5  1  0  0  0  0\n  4  7  1  0  0  0  0\n  3  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9  7  1  0  0  0  0\n 10  7  1  6  0  0  0\n 11 10  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 14 10  1  0  0  0  0\n 13 15  1  1  0  0  0\n 14 16  1  1  0  0  0\n  2 17  1  0  0  0  0\n 12 18  1  6  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\n 21 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 22 25  1  6  0  0  0\n 23 26  2  0  0  0  0\nM  END",
        "smiles": "C(CSC[C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc32)O1)O)O)[C@@H](C(=O)O)N",
        "formula": "C14H20N6O5S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 5,
        "ez_centers": 0,
        "molecular_weight": "384.4124",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "ce794f02-9e6e-4e50-b7d9-afd09ee86fba",
          "4d0573b3-7df1-4932-8b67-a543a82e09d0"
        ],
        "stereo_centers": 5
      },
      "unii": "8K31Q2S66S"
    }
  ]
}