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        "molfile": "\n  Marvin  01132102482D          \n\n 34 34  0  0  0  0            999 V2000\n    8.0848   -3.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3715   -2.5734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3715   -3.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6534   -3.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6534   -4.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9377   -5.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2221   -6.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5064   -5.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5064   -5.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2221   -4.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9377   -5.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7907   -4.6337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7907   -3.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7925   -6.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0581   -3.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0581   -4.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3462   -4.9258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6344   -4.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6344   -3.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3462   -3.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0848   -3.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3715   -2.5734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3715   -3.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6534   -3.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6534   -4.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9377   -5.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2221   -6.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5064   -5.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5064   -5.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2221   -4.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9377   -5.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7907   -4.6337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7907   -3.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7925   -6.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n 14  8  1  0  0  0  0\n 12  9  1  0  0  0  0\n  3  1  2  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n 11  5  1  0  0  0  0\n 11  6  1  0  0  0  0\n  7  6  2  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  2  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  2  0  0  0  0\n 13 12  1  0  0  0  0\n 20 15  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  1  0  0  0  0\n 23 21  2  0  0  0  0\n 23 22  1  0  0  0  0\n 24 23  1  0  0  0  0\n 25 24  2  0  0  0  0\n 31 25  1  0  0  0  0\n 31 26  1  0  0  0  0\n 27 26  2  0  0  0  0\n 28 27  1  0  0  0  0\n 34 28  1  0  0  0  0\n 29 28  2  0  0  0  0\n 32 29  1  0  0  0  0\n 30 29  1  0  0  0  0\n 31 30  2  0  0  0  0\n 33 32  1  0  0  0  0\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  21\nM  SAL   1 13  22  23  24  25  26  27  28  29  30  31  32  33  34\nM  SPA   1 14   1   2   3   4   5   6   7   8   9  10  11  12  13  14\nM  SDI   1  4    3.3707   -6.7069    3.3707   -2.1534\nM  SDI   1  4    8.5048   -2.1534    8.5048   -6.7069\nM  SMT   1 2\nM  END",
        "smiles": "COc1cc(ccc1O)/C=C/C(=O)O.COc1cc(ccc1O)/C=C/C(=O)O.C1CNCCN1",
        "formula": "2C10H10O4.C4H10N2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 2,
        "molecular_weight": "474.5045",
        "optical_activity": "NONE",
        "references": [
          "917c3fd9-4660-4f9c-975a-c134404f2b83",
          "571364e3-f414-4cc5-8f12-e565c0b4e33f"
        ],
        "stereo_centers": 0
      },
      "unii": "OU4LRY06IK"
    }
  ]
}