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        "molfile": "\n  Marvin  01132103062D          \n\n 26 28  0  0  1  0            999 V2000\n   12.9896   -6.6768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8949   -6.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9352   -6.7782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   10.2848   -6.3052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1341   -6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4519   -6.3142    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    7.8061   -6.7918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1694   -6.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2688   -6.1505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5650   -5.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4519   -5.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1341   -7.5968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9352   -7.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6493   -8.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6583   -8.8294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4361   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9136   -8.4064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4224   -7.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8993   -5.2955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7782   -6.7981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   13.9399   -7.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2927   -7.8485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7257   -7.7998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3604   -6.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8197   -5.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9786   -5.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  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  6  5  1  1  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  2  0  0  0  0\n  8 10  1  0  0  0  0\n 11  6  1  0  0  0  0\n 10 11  1  0  0  0  0\n 12  5  2  0  0  0  0\n  3 13  1  6  0  0  0\n 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  2  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 14  2  0  0  0  0\n 19  2  2  0  0  0  0\n 20  1  1  0  0  0  0\n 20 21  1  1  0  0  0\n 22 21  2  0  0  0  0\n 23 21  1  0  0  0  0\n 24 20  1  0  0  0  0\n 25 24  1  0  0  0  0\n 26  1  1  0  0  0  0\n 25 26  1  0  0  0  0\nM  END",
        "smiles": "C1C[C@@H](C(=O)N)N(C1)C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]3CCC(=O)N3",
        "formula": "C16H22N6O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 3,
        "ez_centers": 0,
        "molecular_weight": "362.3843",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "ab7defd7-d5a0-4747-a1a5-8583e90e9470",
          "767ee77c-e7f0-4757-a660-22446b19f3eb",
          "c7bfcf33-1ecf-4850-bb02-eee905cf5962"
        ],
        "stereo_centers": 3
      },
      "unii": "5Y5F15120W"
    }
  ]
}