
     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -8.6396    0.9568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6023    1.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6071    3.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3104    3.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0090    3.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7006    0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4915   -1.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5404   -5.8196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8308   -5.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2274   -0.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2274   -0.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4732   -1.3190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7372    0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4732    1.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2274    0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2274    0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4915    1.5389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  2  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
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 13 14  1  0
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 17 25  2  0
 25 26  1  0
  8 26  2  0
M  END

> <MaxPenaltyScore>
0
> <IssueMessages>

$$$$
     RDKit          2D

 43 51  0  0  1  0  0  0  0  0999 V2000
   -4.7204    3.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5000    2.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5800   -2.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4500   -0.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2400   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5511    4.8030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6588    3.7783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7941    6.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2940    6.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0331    7.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2722    8.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7723    8.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0332    7.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  6  5  1  6
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  7  8  1  0
  3  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 11 12  1  0
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 28 29  2  0
 29 30  1  0
 25 30  2  0
 30 31  1  0
  6 31  1  0
 31 32  1  0
 24 32  2  0
 32 33  1  0
 10 33  1  0
 17 33  2  0
  4 34  1  6
 34 35  1  0
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 36 37  2  0
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 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 38 43  2  0
M  END

> <MaxPenaltyScore>
2
> <IssueMessages>
molecule has a stereo bond in a ring
$$$$
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.2193    5.8633    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2964    1.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2964   -1.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5870   -3.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8807   -6.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1815   -5.2608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1852   -3.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5929    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2964    1.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8880    3.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1852    3.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  7  1  0
  7  8  1  0
  8  9  2  0
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 10 11  1  0
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 13 14  2  0
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 16 17  1  0
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 10 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
  7 23  2  0
 18 23  1  0
  5 24  2  0
 24 25  1  0
  2 25  2  0
M  END

> <MaxPenaltyScore>
0
> <IssueMessages>

$$$$
     RDKit          2D

 26 28  0  0  1  0  0  0  0  0999 V2000
   -1.2878    3.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0028   -1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  4  5  1  0
  3  6  1  1
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 22 24  1  0
 21 25  1  0
 18 25  2  0
 25 26  1  0
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M  END

> <MaxPenaltyScore>
0
> <IssueMessages>

$$$$
     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END

> <MaxPenaltyScore>
0
> <IssueMessages>

$$$$
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   -2.5987    1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9492    0.8772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2067    3.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9546    1.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8193    4.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4469    1.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0353    5.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3205    4.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4153    2.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9460    0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7489    7.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0341    6.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8906    2.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4213    0.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2483    7.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3937    1.2860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8192    8.3502    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  5  7  1  0
  8  6  2  0
  7  9  2  0
  9  8  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 11 13  1  0
 14 12  1  0
 13 14  2  0
 13 15  1  0
 14 16  1  0
 15 17  2  0
 15 18  1  0
 16 19  2  0
 16 20  1  0
 17 21  1  0
 22 18  2  0
 19 23  1  0
 24 20  2  0
 21 25  2  0
 25 22  1  0
 23 26  2  0
 26 24  1  0
 25 27  1  0
M  CHG  2   2   1   3  -1
M  END

> <MaxPenaltyScore>
2
> <IssueMessages>
InChI: Omitted undefined stereo; InChI: Charges were rearranged
$$$$
     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
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   -1.0028    1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  4  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 10 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 15 20  2  0
 12 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 24 28  2  0
 28 29  1  0
 21 29  2  0
M  END

> <MaxPenaltyScore>
0
> <IssueMessages>

$$$$
     RDKit          2D

 32 34  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
  3  4  2  0
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  5  6  1  0
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  7  8  1  0
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 28 29  1  0
  9 29  2  0
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 30 31  2  0
 31 32  1  0
  5 32  2  0
M  END

> <MaxPenaltyScore>
0
> <IssueMessages>

$$$$
     RDKit          2D

 35 42  0  0  1  0  0  0  0  0999 V2000
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  1  2  1  0
  3  2  1  6
  3  4  1  0
  5  4  1  6
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M  END

> <MaxPenaltyScore>
2
> <IssueMessages>
molecule has a stereo bond in a ring
$$$$
     RDKit          2D

 32 35  0  0  1  0  0  0  0  0999 V2000
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M  END

> <MaxPenaltyScore>
0
> <IssueMessages>
