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        "molfile": "\n  Marvin  01132112432D          \n\n 16 16  0  0  0  0            999 V2000\n    2.1491   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8499   -0.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8499   -1.2440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4276   -1.2569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1491   -0.0181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4276   -0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1491   -2.4775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5792   -0.0078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7086   -0.0078    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8499   -2.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3008   -0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3008   -1.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8499   -3.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5689   -2.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  1  2  0  0  0  0\n  4  1  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  4  2  0  0  0  0\n  7  1  1  0  0  0  0\n  8  2  1  0  0  0  0\n  9  6  1  0  0  0  0\n 10  7  1  0  0  0  0\n 11  8  1  0  0  0  0\n 12  9  1  0  0  0  0\n 13 11  1  0  0  0  0\n 14 11  1  0  0  0  0\n 15 10  1  0  0  0  0\n 16 10  1  0  0  0  0\n  5  2  2  0  0  0  0\nM  END",
        "smiles": "CC(C)Nc1nc(NC(C)C)nc(n1)SC",
        "formula": "C10H19N5S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "241.3578",
        "optical_activity": "NONE",
        "references": [
          "5ea3a734-682e-4c3f-92d9-c784206566a3",
          "ecfaa334-0407-4468-9231-818ddd9c3a2c"
        ],
        "stereo_centers": 0
      },
      "unii": "1K20TB75IL"
    }
  ]
}