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          "molfile": "\n  Marvin  01132105362D          \n\n 21 22  0  0  0  0            999 V2000\n   -3.5455    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8288    1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1155    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1190    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4023   -0.4051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6890    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0208   -0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7860   -0.0588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3330   -0.6717    0.0000 C   0  0  0  0  0  0  0  0  0  3  0  0\n    1.7381    0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2679   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6799   -1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9015   -0.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9245   -1.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2568   -2.1397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1143   -1.2188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6959    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4023    1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0208    1.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7340    0.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0208    2.0775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n 18  3  2  0  0  0  0\n  5  4  2  0  0  0  0\n  6  5  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6 17  2  0  0  0  0\n  7  8  2  0  0  0  0\n  7 16  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n  9 11  1  0  0  0  0\n  9 14  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  1  0  0  0  0\n 14 15  2  0  0  0  0\n 16 14  1  0  0  0  0\n 17 18  1  0  0  0  0\n 17 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 21  2  0  0  0  0\nM  END",
          "smiles": "CCc1cc(c(C2=NC(C)(C(C)C)C(=O)N2)nc1)C(=O)O",
          "formula": "C15H19N3O3",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "RACEMIC",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "685eb0ff-c080-4932-bfcb-6feeba35150a"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "289.3302",
          "optical_activity": "( + / - )",
          "stereo_centers": 1
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "d945d210-bf6e-4799-af3c-0be3905988c5",
      "version": "5",
      "structure": {
        "id": "00ce04f6-06d2-4b37-bb2f-e50155c569b9",
        "molfile": "\n  Marvin  01132100212D          \n\n 21 22  0  0  0  0            999 V2000\n   -0.6890    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0208   -0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6959    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4023   -0.4051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7860   -0.0588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1143   -1.2188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4023    1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0208    1.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1190    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3330   -0.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9245   -1.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1155    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7340    0.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0208    2.0775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2679   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7381    0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2568   -2.1397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8288    1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6799   -1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9015   -0.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5455    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  2  0  0  0  0\n  2  5  2  0  0  0  0\n  2  6  1  0  0  0  0\n  3  7  2  0  0  0  0\n  3  8  1  0  0  0  0\n  4  9  1  0  0  0  0\n  5 10  1  0  0  0  0\n  6 11  1  0  0  0  0\n  7 12  1  0  0  0  0\n  8 13  1  0  0  0  0\n  8 14  2  0  0  0  0\n 10 15  1  0  0  0  0\n 10 16  1  0  0  0  0\n 11 17  2  0  0  0  0\n 12 18  1  0  0  0  0\n 15 19  1  0  0  0  0\n 15 20  1  0  0  0  0\n 18 21  1  0  0  0  0\n  9 12  2  0  0  0  0\n 10 11  1  0  0  0  0\nM  END",
        "smiles": "CCc1cc(c(C2=NC(C)(C(C)C)C(=O)N2)nc1)C(=O)O",
        "formula": "C15H19N3O3",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "289.3302",
        "optical_activity": "( + / - )",
        "references": [
          "b68de80d-f6df-4aa4-b2c9-67c10cf97775",
          "ef7d3a1b-0e44-4b9d-9487-93eaa5f93509"
        ],
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      },
      "unii": "72T2IN94I4"
    }
  ]
}