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        "molfile": "\n  Marvin  01132105372D          \n\n 13 13  0  0  0  0            999 V2000\n    2.1168   -1.3191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8370   -0.1033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5572   -1.3191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8370   -1.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1168   -0.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5572   -0.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4198   -0.0646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8370   -2.5349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3058   -0.1033    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    3.5391   -2.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6970   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5391   -3.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  5  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  1  2  0  0  0  0\n  5  1  1  0  0  0  0\n  6  2  1  0  0  0  0\n  7  5  1  0  0  0  0\n  8  4  1  0  0  0  0\n  9  6  1  0  0  0  0\n 10  8  1  0  0  0  0\n 11  7  1  0  0  0  0\n 12 10  1  0  0  0  0\n 13 11  1  0  0  0  0\n  3  6  2  0  0  0  0\nM  END",
        "smiles": "CCNc1nc(Cl)nc(NCC)n1",
        "formula": "C7H12ClN5",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "201.6569",
        "optical_activity": "NONE",
        "references": [
          "dd6cebba-003a-4f00-a893-749fbf4cd7e6",
          "65aa7df4-87f8-458d-aa03-c31bd314213d"
        ],
        "stereo_centers": 0
      },
      "unii": "SG0C34SMY3"
    }
  ]
}