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        "id": "018c97f5-888c-41a6-860e-bf4e5fd2f348",
        "molfile": "\n  Marvin  01132100242D          \n\n 20 20  0  0  0  0            999 V2000\n    6.9104   -4.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1981   -5.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1981   -6.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9104   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9104   -7.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6177   -6.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6177   -5.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3489   -4.7764    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    8.3489   -3.9362    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.0333   -5.1993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4948   -6.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4789   -4.8313    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    4.7715   -5.2492    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.2135   -3.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8984   -3.8926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8984   -2.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0932   -2.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2834   -2.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7084   -2.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5095   -2.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  1  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 10  2  0  0  0  0\n  3 11  1  0  0  0  0\n  2 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 12 14  2  0  0  0  0\n  1 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 16 19  1  0  0  0  0\n 19 20  1  0  0  0  0\nM  CHG  4   8   1   9  -1  12   1  13  -1\nM  END",
        "smiles": "CCC(CC)Nc1c(cc(C)c(C)c1[N+](=O)[O-])[N+](=O)[O-]",
        "formula": "C13H19N3O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "281.3082",
        "optical_activity": "NONE",
        "references": [
          "e55d9c21-5d0b-462f-97ba-6b37842f959c",
          "f7fa94d4-9f09-418d-81c0-6793ed26f920"
        ],
        "stereo_centers": 0
      },
      "unii": "VL6L14C06U"
    }
  ]
}