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        "molfile": "\n  Marvin  01132110202D          \n\n 17 17  0  0  0  0            999 V2000\n   -1.3834   -3.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3834   -3.9282    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   -2.8313   -1.4660    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   -0.6814   -2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1034   -2.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1138   -1.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6814   -1.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3834   -1.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6814   -4.3463    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -2.8106   -0.6453    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -2.1034   -4.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5411   -1.8841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0258   -1.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0258   -3.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7459   -1.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0258   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4634   -1.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  6  1  0  0  0  0\n  4  1  2  0  0  0  0\n  5  1  1  0  0  0  0\n  6  5  2  0  0  0  0\n  7  4  1  0  0  0  0\n  8  6  1  0  0  0  0\n  9  2  1  0  0  0  0\n 10  3  1  0  0  0  0\n 11  2  2  0  0  0  0\n 12  3  2  0  0  0  0\n 13  7  1  0  0  0  0\n 14  4  1  0  0  0  0\n 15 13  1  0  0  0  0\n 13 16  1  0  0  0  0\n 17 15  1  0  0  0  0\n  7  8  2  0  0  0  0\nM  CHG  4   2   1   3   1   9  -1  10  -1\nM  END",
        "smiles": "CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]",
        "formula": "C10H12N2O5",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "240.2131",
        "optical_activity": "( + / - )",
        "references": [
          "547035f9-271e-4929-b807-c5664a098afd",
          "3782a2e1-1648-40fb-bd0c-d8d55f81e8cd"
        ],
        "stereo_centers": 1
      },
      "unii": "YD44ZEM22M"
    }
  ]
}