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        "id": "a0516f39-c844-4bc7-a82f-58474fd05c32",
        "molfile": "\n  Marvin  01132108202D          \n\n 26 27  0  0  0  0            999 V2000\n   11.7136   -8.0337    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n    9.2801   -6.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1077   -5.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1932   -5.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9073   -4.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6222   -5.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3363   -4.6559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0512   -5.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0520   -5.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7669   -6.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4810   -5.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1959   -6.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9099   -5.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4802   -5.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7653   -4.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7645   -3.8295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4785   -3.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4392   -4.7356    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    8.2669   -3.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8877   -5.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0628   -5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6508   -6.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0641   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8891   -6.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3009   -6.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9146   -5.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 14 11  2  0  0  0  0\n 15 14  1  0  0  0  0\n  8 15  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n  4 18  2  0  0  0  0\n 18 19  1  0  0  0  0\n 20 18  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 23 22  1  0  0  0  0\n 24 23  2  0  0  0  0\n 25 24  1  0  0  0  0\n 25 20  2  0  0  0  0\n  3 25  1  0  0  0  0\n  3 26  1  0  0  0  0\nM  CHG  2   1  -1  18   1\nM  END",
        "smiles": "CC1(C)c2ccccc2[N+](=C1/C=C/Nc3ccc(cc3OC)OC)C.[Cl-]",
        "formula": "C21H25N2O2.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "372.8891",
        "optical_activity": "NONE",
        "references": [
          "3bbdde3b-7bc3-4fdc-b17d-75ad4e28d40f",
          "e59e46a5-8a6c-4dc5-823c-c5bf8ed34135"
        ],
        "stereo_centers": 0
      },
      "unii": "10AEA58N54"
    }
  ]
}