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        "molfile": "\n  Marvin  01132108152D          \n\n 34 31  0  0  1  0            999 V2000\n    5.2081   -4.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9226   -3.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6370   -4.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3515   -3.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0660   -4.1053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3515   -2.8678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4936   -3.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7791   -4.1053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4936   -2.8678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2081   -4.9303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6324   -7.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9179   -7.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2035   -7.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4890   -7.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7745   -7.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7745   -6.6866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0600   -7.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3469   -7.9241    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    8.0614   -7.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7758   -7.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0614   -6.6866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3469   -8.7491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6324   -7.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9179   -7.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2035   -7.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4890   -7.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7745   -7.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7745   -6.6866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0600   -7.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3469   -7.9241    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    8.0614   -7.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7758   -7.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0614   -6.6866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3469   -8.7491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  2  0  0  0  0\n  1  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  2  0  0  0  0\n  1 10  2  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 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 15 17  1  0  0  0  0\n 11 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 21  2  0  0  0  0\n 18 22  1  1  0  0  0\n 23 24  1  0  0  0  0\n 23 30  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  2  0  0  0  0\n 27 29  1  0  0  0  0\n 30 31  1  0  0  0  0\n 30 34  1  1  0  0  0\n 31 32  1  0  0  0  0\n 31 33  2  0  0  0  0\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15  11  12  13  14  15  16  17  18  19  20  21  22  23  24  25\nM  SAL   1  9  26  27  28  29  30  31  32  33  34\nM  SPA   1 12  11  12  13  14  15  16  17  18  19  20  21  22\nM  SDI   1  4    2.6400   -9.1691    2.6400   -6.2666\nM  SDI   1  4    9.1958   -6.2666    9.1958   -9.1691\nM  SMT   1 2\nM  END",
        "smiles": "C(C[C@@H](C(=O)O)N)CNC(=N)N.C(C[C@@H](C(=O)O)N)CNC(=N)N.C(CC(=O)O)C(=O)C(=O)O",
        "formula": "2C6H14N4O2.C5H6O5",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 2,
        "ez_centers": 0,
        "molecular_weight": "494.5008",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "661dbabe-36a0-4e4c-b4f8-062f6cdf78ef",
          "f7fc1e40-8537-440b-b95d-0d2cfabf2800"
        ],
        "stereo_centers": 2
      },
      "unii": "I9LFI257OB"
    }
  ]
}