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        "molfile": "\n  Marvin  01132106382D          \n\n 26 29  0  0  0  0            999 V2000\n    0.3449   -1.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0676   -2.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3449   -2.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1699   -2.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5823   -2.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1699   -1.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4073   -2.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8198   -2.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4073   -3.6030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    1.5823   -3.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8198   -4.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6448   -4.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0572   -3.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6448   -2.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0572   -2.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8822   -2.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2947   -2.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8822   -3.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1195   -2.8884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5321   -3.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2947   -1.4596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8822   -0.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0676   -3.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3449   -4.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8925   -2.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3050   -1.4596    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  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  1  2  0  0  0  0\n  5  7  1  0  0  0  0\n  8  7  2  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  2  0  0  0  0\n  4 10  1  0  0  0  0\n  9 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  2  0  0  0  0\n  8 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 16 15  2  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  2  0  0  0  0\n 13 18  1  0  0  0  0\n 17 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 16 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n  3 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n  2 25  1  0  0  0  0\n 26 25  1  0  0  0  0\nM  CHG  1   9   1\nM  END",
        "smiles": "COc1ccc2cc3-c4cc(c(cc4CC[n+]3cc2c1OC)OC)OC",
        "formula": "C21H22NO4",
        "atropisomerism": "No",
        "charge": 1,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "352.4045",
        "optical_activity": "NONE",
        "references": [
          "1985a26f-09ac-46ec-9f7e-639574714852",
          "8267bda5-e1f1-4568-b9a6-a8e58850f175"
        ],
        "stereo_centers": 0
      },
      "unii": "G50C034217"
    }
  ]
}