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        "molfile": "\n  Marvin  01132103502D          \n\n 15 16  0  0  0  0            999 V2000\n    5.5237   -2.9773    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n    4.6879   -4.0595    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    5.2195   -4.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7058   -5.8702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6590   -5.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1261   -4.9804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6423   -4.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6531   -5.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1728   -4.9696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1669   -4.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6986   -5.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0936   -3.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6744   -2.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0801   -1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9051   -1.9045    0.0000 Cl  0  0  0  0  0  0  0  0  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  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  2  1  0  0  0  0\n  8  6  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10  2  1  0  0  0  0\n 11  9  1  0  0  0  0\n  4 11  1  0  0  0  0\n 12  2  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  2  0  0  0  0\n 15 14  1  0  0  0  0\nM  CHG  2   1  -1   2   1\nM  END",
        "smiles": "C(=C/Cl)/C[N+]12CN3CN(CN(C3)C1)C2.[Cl-]",
        "formula": "C9H16ClN4.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "251.1564",
        "optical_activity": "NONE",
        "references": [
          "51929eb7-92b2-4d8d-a2e7-8b355152dac0",
          "44d65c8b-1372-49c3-8d22-938c3324725c"
        ],
        "stereo_centers": 0
      },
      "unii": "LIT014L4RH"
    }
  ]
}