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        "molfile": "\n  Marvin  01132102022D          \n\n 20 21  0  0  0  0            999 V2000\n    2.1468   -2.6608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1468   -4.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8595   -3.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4297   -3.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4297   -3.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8595   -3.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6694   -0.7170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3195   -0.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0797    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0797   -1.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9005   -1.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9005    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8487   -0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4297   -1.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1468   -1.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0237   -2.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1987   -2.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7170   -1.0151    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.4297    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.7170   -0.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  1 15  1  0  0  0  0\n  2  5  1  0  0  0  0\n  2  6  1  0  0  0  0\n  3  6  1  0  0  0  0\n  4  5  1  0  0  0  0\n  7  9  1  0  0  0  0\n  7 10  1  0  0  0  0\n  7 13  1  0  0  0  0\n  8 11  1  0  0  0  0\n  8 12  1  0  0  0  0\n  9 12  1  0  0  0  0\n 10 11  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 16  1  0  0  0  0\n 14 18  1  0  0  0  0\n 16 17  1  0  0  0  0\n 18 19  1  0  0  0  0\n 18 20  2  0  0  0  0\nM  CHG  2  18   1  19  -1\nM  END",
        "smiles": "CCC(CN1CCOCC1)(CN2CCOCC2)[N+](=O)[O-]",
        "formula": "C13H25N3O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "287.3558",
        "optical_activity": "NONE",
        "references": [
          "d98513ea-8838-4485-ba29-ae8e2804681c",
          "669463c0-224f-4eb6-b2eb-b4ab7866ac92"
        ],
        "stereo_centers": 0
      },
      "unii": "LKD3T9KQ74"
    }
  ]
}