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        "molfile": "\n  Marvin  01132108052D          \n\n 24 24  0  0  0  0            999 V2000\n    6.9298   -4.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2253   -4.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2253   -5.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9298   -6.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9298   -6.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1048   -6.9953    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7548   -6.9953    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9298   -7.8203    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6305   -5.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6305   -4.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3678   -4.4808    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    8.3678   -3.7045    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.0685   -4.8910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4918   -6.1749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4918   -4.5295    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    4.7874   -4.9396    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.4918   -3.7045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9298   -3.7045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6305   -3.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6305   -2.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3678   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2253   -3.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2253   -2.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4918   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  5  8  1  0  0  0  0\n  4  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n  1 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  2  0  0  0  0\n  3 14  1  0  0  0  0\n  2 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 15 17  2  0  0  0  0\n  1 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 18 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\nM  CHG  4  11   1  12  -1  15   1  16  -1\nM  END",
        "smiles": "CCCN(CCC)c1c(cc(c(c1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-]",
        "formula": "C13H17F3N4O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "350.2942",
        "optical_activity": "NONE",
        "references": [
          "185bd800-23c8-4ba3-a3e1-5cc15e4672f8",
          "931bc3cd-7121-4d4e-8cd6-1f735e07416e"
        ],
        "stereo_centers": 0
      },
      "unii": "IJI5J414Q6"
    }
  ]
}