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        "molfile": "\n  Marvin  01132112042D          \n\n 37 39  0  0  0  0            999 V2000\n    7.8019   -5.3099    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n    9.7584   -7.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0431   -7.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3354   -7.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3354   -8.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6156   -9.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6156  -10.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3354  -10.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0431  -10.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0431   -9.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7584   -8.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7546  -10.4528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4723  -10.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1821  -10.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7573   -8.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0417   -9.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3276   -8.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6163   -9.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6163   -9.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8990  -10.3651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8990  -11.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6110  -11.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1872   -9.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1872   -9.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3278  -10.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0417   -9.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7573   -7.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4774   -7.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4774   -6.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7622   -6.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7622   -5.4224    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    5.9553   -5.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4278   -4.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0488   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8602   -4.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0496   -6.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0496   -7.4822    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  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n 10  5  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11  2  2  0  0  0  0\n  9 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n  6 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  2  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 20 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 19 25  2  0  0  0  0\n 25 26  1  0  0  0  0\n 26 16  2  0  0  0  0\n 15 27  2  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  2  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  2  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 31 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 30 36  1  0  0  0  0\n 36 37  2  0  0  0  0\n 37 27  1  0  0  0  0\nM  CHG  2   1  -1  31   1\nM  END",
        "smiles": "CCNc1ccc(c2ccccc21)/C(=C/3\\C=CC(=[N+](CC)CC)C=C3)/c4ccc(cc4)N(CC)CC.[Cl-]",
        "formula": "C33H40N3.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "514.145",
        "optical_activity": "NONE",
        "references": [
          "f2240207-d4ca-4980-8ee5-9af850bbdddd",
          "4c6e331c-f1a6-4571-a28c-09a0c6744c52"
        ],
        "stereo_centers": 0
      },
      "unii": "30F6F48H95"
    }
  ]
}