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          "smiles": "Br",
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          "smiles": "CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1",
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          "atropisomerism": "No",
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          "count": 1,
          "stereochemistry": "RACEMIC",
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      "uuid": "21685639-5243-4086-b69a-0901646e2904",
      "version": "13",
      "structure": {
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        "molfile": "\n  Marvin  01132111402D          \n\n 25 24  0  0  0  0            999 V2000\n    5.5615  -16.3588    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    7.7034  -16.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4174  -16.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9895  -16.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2755  -16.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8475  -16.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1398  -15.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9665  -15.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4091  -15.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1314  -16.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1335  -16.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2922  -16.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5783  -16.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7056  -16.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4196  -16.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8643  -16.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1503  -16.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5637  -16.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2776  -16.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9916  -16.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0062  -16.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8454  -16.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1231  -15.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8370  -15.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7890  -16.3505    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0\n  2  4  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\n  6  1  1  0  0  0  0\n  7  1  1  0  0  0  0\n  8  1  1  0  0  0  0\n  9  3  1  0  0  0  0\n 10  3  2  0  0  0  0\n 11  6  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 16  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 11  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 14  1  0  0  0  0\n 21 12  1  0  0  0  0\n 22 10  1  0  0  0  0\n 23  9  2  0  0  0  0\n 24 23  1  0  0  0  0\n 22 24  2  0  0  0  0\nM  CHG  2   1   1  25  -1\nM  END",
        "smiles": "CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1.[Br-]",
        "formula": "C22H40NO.Br",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "414.4635",
        "optical_activity": "NONE",
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}