view test-data/constrained_conf_gen_output1.sdf @ 0:ce27129127e0 draft

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
author bgruening
date Tue, 21 Jul 2020 05:26:16 -0400
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M  END
>  <reactant_uuid>  (7) 
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>  <SourceMolNum>  (7) 
4

>  <ConformerNum>  (7) 
1

$$$$

     RDKit          3D

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>  <reactant_uuid>  (8) 
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>  <source_uuid>  (8) 
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>  <EmbedRMS>  (8) 
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4

>  <ConformerNum>  (8) 
2

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (9) 
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5

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1

$$$$

     RDKit          3D

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>  <reactant_uuid>  (10) 
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>  <EmbedRMS>  (10) 
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2

$$$$

     RDKit          3D

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>  <reactant_uuid>  (11) 
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>  <EmbedRMS>  (11) 
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1

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (12) 
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>  <EmbedRMS>  (12) 
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>  <SourceMolNum>  (12) 
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>  <ConformerNum>  (12) 
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$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (13) 
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>  <EmbedRMS>  (13) 
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>  <SourceMolNum>  (13) 
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1

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (14) 
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>  <source_uuid>  (14) 
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>  <EmbedRMS>  (14) 
0.09867502679738899

>  <SourceMolNum>  (14) 
7

>  <ConformerNum>  (14) 
2

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (15) 
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>  <source_uuid>  (15) 
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>  <EmbedRMS>  (15) 
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>  <SourceMolNum>  (15) 
8

>  <ConformerNum>  (15) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (16) 
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>  <source_uuid>  (16) 
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>  <EmbedRMS>  (16) 
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>  <SourceMolNum>  (16) 
8

>  <ConformerNum>  (16) 
2

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (17) 
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>  <source_uuid>  (17) 
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>  <EmbedRMS>  (17) 
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>  <SourceMolNum>  (17) 
9

>  <ConformerNum>  (17) 
1

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (18) 
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>  <source_uuid>  (18) 
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>  <EmbedRMS>  (18) 
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>  <SourceMolNum>  (18) 
9

>  <ConformerNum>  (18) 
2

$$$$

     RDKit          3D

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>  <reactant_uuid>  (19) 
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>  <source_uuid>  (19) 
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>  <EmbedRMS>  (19) 
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>  <SourceMolNum>  (19) 
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>  <ConformerNum>  (19) 
1

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (20) 
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>  <source_uuid>  (20) 
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>  <EmbedRMS>  (20) 
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>  <SourceMolNum>  (20) 
10

>  <ConformerNum>  (20) 
2

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (21) 
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>  <source_uuid>  (21) 
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>  <EmbedRMS>  (21) 
0.10176377043128523

>  <SourceMolNum>  (21) 
11

>  <ConformerNum>  (21) 
1

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (22) 
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>  <source_uuid>  (22) 
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>  <EmbedRMS>  (22) 
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>  <SourceMolNum>  (22) 
11

>  <ConformerNum>  (22) 
2

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (23) 
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>  <source_uuid>  (23) 
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>  <EmbedRMS>  (23) 
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>  <SourceMolNum>  (23) 
12

>  <ConformerNum>  (23) 
1

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (24) 
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>  <source_uuid>  (24) 
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>  <EmbedRMS>  (24) 
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>  <SourceMolNum>  (24) 
12

>  <ConformerNum>  (24) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (25) 
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>  <source_uuid>  (25) 
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>  <EmbedRMS>  (25) 
0.09879091579514199

>  <SourceMolNum>  (25) 
13

>  <ConformerNum>  (25) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (26) 
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>  <source_uuid>  (26) 
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>  <EmbedRMS>  (26) 
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>  <SourceMolNum>  (26) 
13

>  <ConformerNum>  (26) 
2

$$$$

     RDKit          3D

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M  CHG  2  20   1  22  -1
M  END
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>  <source_uuid>  (27) 
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14

>  <ConformerNum>  (27) 
1

$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 14 19  1  0
 19 20  1  0
 20 21  2  0
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M  CHG  2  20   1  22  -1
M  END
>  <reactant_uuid>  (28) 
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>  <source_uuid>  (28) 
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>  <EmbedRMS>  (28) 
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>  <SourceMolNum>  (28) 
14

>  <ConformerNum>  (28) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 19  4  1  0
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M  END
>  <reactant_uuid>  (29) 
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>  <source_uuid>  (29) 
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>  <EmbedRMS>  (29) 
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>  <SourceMolNum>  (29) 
15

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1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (30) 
389ce5d9-0b6e-484b-add2-696173286ba7

>  <source_uuid>  (30) 
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>  <EmbedRMS>  (30) 
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>  <SourceMolNum>  (30) 
15

>  <ConformerNum>  (30) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (31) 
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>  <source_uuid>  (31) 
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>  <EmbedRMS>  (31) 
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>  <SourceMolNum>  (31) 
16

>  <ConformerNum>  (31) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (32) 
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>  <source_uuid>  (32) 
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>  <EmbedRMS>  (32) 
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>  <SourceMolNum>  (32) 
16

>  <ConformerNum>  (32) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  CHG  3   6  -1   7  -1   8  -1
M  END
>  <reactant_uuid>  (33) 
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>  <source_uuid>  (33) 
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>  <EmbedRMS>  (33) 
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>  <ConformerNum>  (33) 
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$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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$$$$

     RDKit          3D

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1

$$$$

     RDKit          3D

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2

$$$$

     RDKit          3D

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>  <reactant_uuid>  (37) 
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>  <EmbedRMS>  (37) 
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1

$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (38) 
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>  <source_uuid>  (38) 
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>  <EmbedRMS>  (38) 
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$$$$

     RDKit          3D

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>  <reactant_uuid>  (39) 
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$$$$

     RDKit          3D

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>  <reactant_uuid>  (40) 
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2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (41) 
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>  <source_uuid>  (41) 
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>  <EmbedRMS>  (41) 
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21

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1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (42) 
f4e4b247-6731-40e4-9f55-97755983400a

>  <source_uuid>  (42) 
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>  <EmbedRMS>  (42) 
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>  <SourceMolNum>  (42) 
21

>  <ConformerNum>  (42) 
2

$$$$

     RDKit          3D

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>  <reactant_uuid>  (43) 
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>  <source_uuid>  (43) 
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>  <EmbedRMS>  (43) 
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22

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1

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (44) 
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>  <source_uuid>  (44) 
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>  <EmbedRMS>  (44) 
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>  <SourceMolNum>  (44) 
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>  <ConformerNum>  (44) 
2

$$$$

     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (45) 
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>  <source_uuid>  (45) 
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>  <EmbedRMS>  (45) 
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1

$$$$

     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (46) 
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>  <EmbedRMS>  (46) 
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2

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (47) 
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>  <source_uuid>  (47) 
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1

$$$$

     RDKit          3D

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>  <reactant_uuid>  (48) 
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>  <source_uuid>  (48) 
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24

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2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (49) 
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>  <EmbedRMS>  (49) 
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25

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1

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (50) 
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>  <source_uuid>  (50) 
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>  <EmbedRMS>  (50) 
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>  <SourceMolNum>  (50) 
25

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2

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (51) 
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>  <source_uuid>  (51) 
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>  <EmbedRMS>  (51) 
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>  <SourceMolNum>  (51) 
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1

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (52) 
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>  <source_uuid>  (52) 
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>  <EmbedRMS>  (52) 
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2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (53) 
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>  <EmbedRMS>  (53) 
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$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (55) 
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>  <source_uuid>  (55) 
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1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (56) 
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>  <source_uuid>  (56) 
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>  <EmbedRMS>  (56) 
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>  <SourceMolNum>  (56) 
28

>  <ConformerNum>  (56) 
2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (57) 
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>  <source_uuid>  (57) 
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>  <EmbedRMS>  (57) 
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>  <SourceMolNum>  (57) 
29

>  <ConformerNum>  (57) 
1

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (58) 
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>  <source_uuid>  (58) 
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>  <EmbedRMS>  (58) 
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29

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2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (59) 
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1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (60) 
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2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 18  3  1  0
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M  END
>  <reactant_uuid>  (61) 
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>  <source_uuid>  (61) 
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>  <EmbedRMS>  (61) 
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>  <SourceMolNum>  (61) 
31

>  <ConformerNum>  (61) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 18  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (62) 
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>  <source_uuid>  (62) 
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>  <EmbedRMS>  (62) 
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>  <SourceMolNum>  (62) 
31

>  <ConformerNum>  (62) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   -0.1966   -0.0587   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
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  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 18  2  1  0
 16 10  1  0
M  CHG  2  19   1  21  -1
M  END
>  <reactant_uuid>  (63) 
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>  <source_uuid>  (63) 
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>  <EmbedRMS>  (63) 
0.10239683374810403

>  <SourceMolNum>  (63) 
32

>  <ConformerNum>  (63) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  6 17  1  0
 17 18  2  0
 18 19  1  0
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 19 21  1  0
 18  2  1  0
 16 10  1  0
M  CHG  2  19   1  21  -1
M  END
>  <reactant_uuid>  (64) 
f5b33b09-d3da-4354-9b02-5b5afc0d58e9

>  <source_uuid>  (64) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (64) 
0.10239683374810403

>  <SourceMolNum>  (64) 
32

>  <ConformerNum>  (64) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  2 11  1  0
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 14 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 16 20  2  0
 10  4  1  0
 20 11  1  0
M  CHG  2  17   1  19  -1
M  END
>  <reactant_uuid>  (65) 
f8851b20-4f97-4a1c-a06e-129986c791fc

>  <source_uuid>  (65) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (65) 
0.09910774864285887

>  <SourceMolNum>  (65) 
33

>  <ConformerNum>  (65) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0
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 16 20  2  0
 10  4  1  0
 20 11  1  0
M  CHG  2  17   1  19  -1
M  END
>  <reactant_uuid>  (66) 
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>  <source_uuid>  (66) 
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>  <EmbedRMS>  (66) 
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>  <SourceMolNum>  (66) 
33

>  <ConformerNum>  (66) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (67) 
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>  <source_uuid>  (67) 
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>  <EmbedRMS>  (67) 
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>  <SourceMolNum>  (67) 
34

>  <ConformerNum>  (67) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  CHG  3   4  -1   5  -1   8  -1
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>  <reactant_uuid>  (68) 
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>  <source_uuid>  (68) 
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>  <EmbedRMS>  (68) 
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>  <SourceMolNum>  (68) 
34

>  <ConformerNum>  (68) 
2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (69) 
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>  <source_uuid>  (69) 
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>  <EmbedRMS>  (69) 
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>  <SourceMolNum>  (69) 
35

>  <ConformerNum>  (69) 
1

$$$$

     RDKit          3D

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>  <reactant_uuid>  (70) 
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>  <source_uuid>  (70) 
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>  <EmbedRMS>  (70) 
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>  <SourceMolNum>  (70) 
35

>  <ConformerNum>  (70) 
2

$$$$

     RDKit          3D

 19 21  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (71) 
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>  <source_uuid>  (71) 
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>  <EmbedRMS>  (71) 
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>  <SourceMolNum>  (71) 
36

>  <ConformerNum>  (71) 
1

$$$$

     RDKit          3D

 19 21  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (72) 
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>  <source_uuid>  (72) 
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>  <EmbedRMS>  (72) 
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>  <SourceMolNum>  (72) 
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>  <ConformerNum>  (72) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (73) 
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>  <source_uuid>  (73) 
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>  <EmbedRMS>  (73) 
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>  <SourceMolNum>  (73) 
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>  <ConformerNum>  (73) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (76) 
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$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (77) 
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$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (78) 
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2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (79) 
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>  <source_uuid>  (79) 
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>  <EmbedRMS>  (79) 
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>  <ConformerNum>  (79) 
1

$$$$

     RDKit          3D

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2

$$$$

     RDKit          3D

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$$$$

     RDKit          3D

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>  <reactant_uuid>  (82) 
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2

$$$$

     RDKit          3D

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>  <reactant_uuid>  (83) 
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$$$$

     RDKit          3D

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>  <reactant_uuid>  (84) 
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$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (85) 
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>  <EmbedRMS>  (85) 
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$$$$

     RDKit          3D

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>  <reactant_uuid>  (86) 
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$$$$

     RDKit          3D

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>  <reactant_uuid>  (87) 
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1

$$$$

     RDKit          3D

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>  <reactant_uuid>  (88) 
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2

$$$$

     RDKit          3D

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>  <reactant_uuid>  (89) 
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1

$$$$

     RDKit          3D

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>  <reactant_uuid>  (90) 
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>  <source_uuid>  (90) 
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>  <EmbedRMS>  (90) 
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>  <SourceMolNum>  (90) 
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>  <ConformerNum>  (90) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (91) 
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>  <EmbedRMS>  (91) 
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46

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1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (92) 
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>  <EmbedRMS>  (92) 
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>  <SourceMolNum>  (92) 
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2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (93) 
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>  <source_uuid>  (93) 
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1

$$$$

     RDKit          3D

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>  <reactant_uuid>  (94) 
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>  <source_uuid>  (94) 
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>  <EmbedRMS>  (94) 
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>  <SourceMolNum>  (94) 
47

>  <ConformerNum>  (94) 
2

$$$$

     RDKit          3D

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>  <reactant_uuid>  (95) 
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>  <source_uuid>  (95) 
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>  <EmbedRMS>  (95) 
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>  <SourceMolNum>  (95) 
48

>  <ConformerNum>  (95) 
1

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (96) 
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>  <source_uuid>  (96) 
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>  <EmbedRMS>  (96) 
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>  <SourceMolNum>  (96) 
48

>  <ConformerNum>  (96) 
2

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (97) 
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>  <source_uuid>  (97) 
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>  <EmbedRMS>  (97) 
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>  <SourceMolNum>  (97) 
49

>  <ConformerNum>  (97) 
1

$$$$

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (98) 
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>  <source_uuid>  (98) 
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>  <EmbedRMS>  (98) 
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>  <SourceMolNum>  (98) 
49

>  <ConformerNum>  (98) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  15   1  17  -1
M  END
>  <reactant_uuid>  (99) 
0ba1f798-3687-40e5-a3a2-c21bc2714a84

>  <source_uuid>  (99) 
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>  <EmbedRMS>  (99) 
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>  <SourceMolNum>  (99) 
50

>  <ConformerNum>  (99) 
1

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (100) 
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>  <EmbedRMS>  (100) 
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>  <SourceMolNum>  (100) 
50

>  <ConformerNum>  (100) 
2

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (101) 
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>  <source_uuid>  (101) 
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>  <EmbedRMS>  (101) 
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>  <SourceMolNum>  (101) 
51

>  <ConformerNum>  (101) 
1

$$$$

     RDKit          3D

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>  <reactant_uuid>  (102) 
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>  <source_uuid>  (102) 
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>  <EmbedRMS>  (102) 
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>  <SourceMolNum>  (102) 
51

>  <ConformerNum>  (102) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (103) 
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>  <source_uuid>  (103) 
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>  <EmbedRMS>  (103) 
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>  <SourceMolNum>  (103) 
52

>  <ConformerNum>  (103) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (104) 
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>  <source_uuid>  (104) 
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>  <EmbedRMS>  (104) 
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>  <SourceMolNum>  (104) 
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>  <ConformerNum>  (104) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (105) 
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>  <source_uuid>  (105) 
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>  <EmbedRMS>  (105) 
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>  <SourceMolNum>  (105) 
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1

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (106) 
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>  <source_uuid>  (106) 
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>  <EmbedRMS>  (106) 
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>  <SourceMolNum>  (106) 
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>  <ConformerNum>  (106) 
2

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (107) 
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>  <source_uuid>  (107) 
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>  <EmbedRMS>  (107) 
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>  <SourceMolNum>  (107) 
54

>  <ConformerNum>  (107) 
1

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (108) 
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>  <source_uuid>  (108) 
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>  <EmbedRMS>  (108) 
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>  <SourceMolNum>  (108) 
54

>  <ConformerNum>  (108) 
2

$$$$

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (109) 
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>  <source_uuid>  (109) 
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>  <EmbedRMS>  (109) 
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>  <SourceMolNum>  (109) 
55

>  <ConformerNum>  (109) 
1

$$$$

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (110) 
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>  <source_uuid>  (110) 
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>  <EmbedRMS>  (110) 
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>  <SourceMolNum>  (110) 
55

>  <ConformerNum>  (110) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0
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M  CHG  2   5   1   7  -1
M  END
>  <reactant_uuid>  (111) 
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>  <source_uuid>  (111) 
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>  <EmbedRMS>  (111) 
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>  <SourceMolNum>  (111) 
56

>  <ConformerNum>  (111) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   5   1   7  -1
M  END
>  <reactant_uuid>  (112) 
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>  <source_uuid>  (112) 
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>  <EmbedRMS>  (112) 
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>  <SourceMolNum>  (112) 
56

>  <ConformerNum>  (112) 
2

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0
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M  END
>  <reactant_uuid>  (113) 
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>  <source_uuid>  (113) 
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>  <EmbedRMS>  (113) 
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>  <SourceMolNum>  (113) 
57

>  <ConformerNum>  (113) 
1

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
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2

$$$$

     RDKit          3D

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1

$$$$

     RDKit          3D

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2

$$$$

     RDKit          3D

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>  <reactant_uuid>  (117) 
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$$$$

     RDKit          3D

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$$$$

     RDKit          3D

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>  <reactant_uuid>  (119) 
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1

$$$$

     RDKit          3D

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>  <reactant_uuid>  (120) 
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2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (121) 
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>  <source_uuid>  (121) 
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>  <EmbedRMS>  (121) 
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1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (123) 
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$$$$

     RDKit          3D

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>  <reactant_uuid>  (124) 
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$$$$

     RDKit          3D

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>  <reactant_uuid>  (125) 
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1

$$$$

     RDKit          3D

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>  <reactant_uuid>  (126) 
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>  <source_uuid>  (126) 
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>  <EmbedRMS>  (126) 
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>  <SourceMolNum>  (126) 
63

>  <ConformerNum>  (126) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (127) 
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>  <source_uuid>  (127) 
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>  <EmbedRMS>  (127) 
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>  <SourceMolNum>  (127) 
64

>  <ConformerNum>  (127) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (128) 
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>  <source_uuid>  (128) 
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>  <EmbedRMS>  (128) 
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>  <SourceMolNum>  (128) 
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2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (129) 
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>  <source_uuid>  (129) 
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>  <EmbedRMS>  (129) 
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>  <SourceMolNum>  (129) 
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1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (130) 
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>  <source_uuid>  (130) 
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>  <EmbedRMS>  (130) 
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2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (131) 
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>  <EmbedRMS>  (131) 
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$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (132) 
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>  <source_uuid>  (132) 
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$$$$

     RDKit          3D

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1

$$$$

     RDKit          3D

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>  <reactant_uuid>  (134) 
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2

$$$$

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>  <reactant_uuid>  (135) 
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1

$$$$

     RDKit          3D

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>  <reactant_uuid>  (136) 
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$$$$

     RDKit          3D

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>  <reactant_uuid>  (137) 
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$$$$

     RDKit          3D

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>  <reactant_uuid>  (138) 
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$$$$

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>  <reactant_uuid>  (139) 
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>  <source_uuid>  (139) 
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>  <EmbedRMS>  (139) 
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>  <SourceMolNum>  (139) 
70

>  <ConformerNum>  (139) 
1

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (140) 
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>  <source_uuid>  (140) 
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>  <SourceMolNum>  (140) 
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2

$$$$

     RDKit          3D

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>  <reactant_uuid>  (141) 
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>  <source_uuid>  (141) 
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>  <EmbedRMS>  (141) 
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>  <SourceMolNum>  (141) 
71

>  <ConformerNum>  (141) 
1

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (142) 
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>  <source_uuid>  (142) 
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>  <EmbedRMS>  (142) 
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>  <SourceMolNum>  (142) 
71

>  <ConformerNum>  (142) 
2

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (143) 
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>  <source_uuid>  (143) 
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>  <EmbedRMS>  (143) 
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>  <SourceMolNum>  (143) 
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1

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (144) 
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>  <source_uuid>  (144) 
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>  <EmbedRMS>  (144) 
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>  <SourceMolNum>  (144) 
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>  <ConformerNum>  (144) 
2

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (145) 
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>  <source_uuid>  (145) 
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>  <EmbedRMS>  (145) 
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>  <ConformerNum>  (145) 
1

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (146) 
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>  <source_uuid>  (146) 
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>  <EmbedRMS>  (146) 
0.10085118763310628

>  <SourceMolNum>  (146) 
73

>  <ConformerNum>  (146) 
2

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (147) 
4b8b0bd8-b348-48d0-a274-308595350a49

>  <source_uuid>  (147) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (147) 
0.10258608529506909

>  <SourceMolNum>  (147) 
74

>  <ConformerNum>  (147) 
1

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (148) 
4b8b0bd8-b348-48d0-a274-308595350a49

>  <source_uuid>  (148) 
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>  <EmbedRMS>  (148) 
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>  <SourceMolNum>  (148) 
74

>  <ConformerNum>  (148) 
2

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (149) 
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>  <source_uuid>  (149) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (149) 
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>  <SourceMolNum>  (149) 
75

>  <ConformerNum>  (149) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (150) 
3921ace2-0c0b-40d4-a6fc-f67979805164

>  <source_uuid>  (150) 
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>  <EmbedRMS>  (150) 
0.09824682959646563

>  <SourceMolNum>  (150) 
75

>  <ConformerNum>  (150) 
2

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (151) 
a21654e5-23ce-465b-95b1-b6582afd3a52

>  <source_uuid>  (151) 
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>  <EmbedRMS>  (151) 
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>  <SourceMolNum>  (151) 
76

>  <ConformerNum>  (151) 
1

$$$$

     RDKit          3D

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M  END
>  <reactant_uuid>  (152) 
a21654e5-23ce-465b-95b1-b6582afd3a52

>  <source_uuid>  (152) 
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>  <EmbedRMS>  (152) 
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>  <SourceMolNum>  (152) 
76

>  <ConformerNum>  (152) 
2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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$$$$

     RDKit          3D

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$$$$

     RDKit          3D

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>  <reactant_uuid>  (158) 
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$$$$

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M  END
>  <reactant_uuid>  (159) 
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>  <source_uuid>  (159) 
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>  <EmbedRMS>  (159) 
0.09881368258107032

>  <SourceMolNum>  (159) 
80

>  <ConformerNum>  (159) 
1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (160) 
152e4bd6-8c72-4b0b-8643-f1e6620884a6

>  <source_uuid>  (160) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (160) 
0.09881368258107032

>  <SourceMolNum>  (160) 
80

>  <ConformerNum>  (160) 
2

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (161) 
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>  <source_uuid>  (161) 
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>  <EmbedRMS>  (161) 
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>  <SourceMolNum>  (161) 
81

>  <ConformerNum>  (161) 
1

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (162) 
0091de72-2d4a-4ada-a7e3-bf6201fd2e4e

>  <source_uuid>  (162) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (162) 
0.09912710088068215

>  <SourceMolNum>  (162) 
81

>  <ConformerNum>  (162) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0
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M  END
>  <reactant_uuid>  (163) 
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>  <source_uuid>  (163) 
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>  <EmbedRMS>  (163) 
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>  <SourceMolNum>  (163) 
82

>  <ConformerNum>  (163) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (164) 
6c99fed3-698c-414e-893d-f3c376da658d

>  <source_uuid>  (164) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (164) 
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>  <SourceMolNum>  (164) 
82

>  <ConformerNum>  (164) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0
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 10  4  1  0
 18 11  1  0
M  CHG  2  19   1  21  -1
M  END
>  <reactant_uuid>  (165) 
c6a27a0e-72bc-4560-ae2f-626e47ed046b

>  <source_uuid>  (165) 
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>  <EmbedRMS>  (165) 
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>  <SourceMolNum>  (165) 
83

>  <ConformerNum>  (165) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 10  4  1  0
 18 11  1  0
M  CHG  2  19   1  21  -1
M  END
>  <reactant_uuid>  (166) 
c6a27a0e-72bc-4560-ae2f-626e47ed046b

>  <source_uuid>  (166) 
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>  <EmbedRMS>  (166) 
0.1003066553885793

>  <SourceMolNum>  (166) 
83

>  <ConformerNum>  (166) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0618    1.5346    0.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15 17  1  0
 14 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 10  4  1  0
 20 11  1  0
M  CHG  2  15   1  17  -1
M  END
>  <reactant_uuid>  (167) 
551f7236-c11f-4ea4-9495-4173d815aec8

>  <source_uuid>  (167) 
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>  <EmbedRMS>  (167) 
0.09767308078396052

>  <SourceMolNum>  (167) 
84

>  <ConformerNum>  (167) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0618    1.5346    0.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    0.3643    0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7250   -2.7921   -0.6564 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5953   -1.0168    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8315   -1.9825   -0.5197 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
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 14 15  1  0
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 15 17  1  0
 14 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 10  4  1  0
 20 11  1  0
M  CHG  2  15   1  17  -1
M  END
>  <reactant_uuid>  (168) 
551f7236-c11f-4ea4-9495-4173d815aec8

>  <source_uuid>  (168) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (168) 
0.09767308078396052

>  <SourceMolNum>  (168) 
84

>  <ConformerNum>  (168) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0621    1.5377    0.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    0.3675    0.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7671   -1.6571   -1.0149 F   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 10  4  1  0
 20 11  1  0
M  CHG  2  13   1  15  -1
M  END
>  <reactant_uuid>  (169) 
4301e269-dafd-4e68-8a91-ea6920fd93fb

>  <source_uuid>  (169) 
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>  <EmbedRMS>  (169) 
0.09930940431553616

>  <SourceMolNum>  (169) 
85

>  <ConformerNum>  (169) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 10  4  1  0
 20 11  1  0
M  CHG  2  13   1  15  -1
M  END
>  <reactant_uuid>  (170) 
4301e269-dafd-4e68-8a91-ea6920fd93fb

>  <source_uuid>  (170) 
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>  <EmbedRMS>  (170) 
0.09930940431553616

>  <SourceMolNum>  (170) 
85

>  <ConformerNum>  (170) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  2  1  0
 21 15  1  0
M  CHG  2   6   1   8  -1
M  END
>  <reactant_uuid>  (171) 
284be6b9-a6c9-430b-a8b1-3b7f2009f053

>  <source_uuid>  (171) 
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>  <EmbedRMS>  (171) 
0.09868704423638992

>  <SourceMolNum>  (171) 
86

>  <ConformerNum>  (171) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  2  1  0
 21 15  1  0
M  CHG  2   6   1   8  -1
M  END
>  <reactant_uuid>  (172) 
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>  <source_uuid>  (172) 
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>  <EmbedRMS>  (172) 
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>  <SourceMolNum>  (172) 
86

>  <ConformerNum>  (172) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.6055   -2.4356   -0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8209   -1.9662   -0.5366 F   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  2  0
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 16 17  1  0
 16 18  1  0
 18 19  2  0
  9 20  2  0
 20 21  1  0
 20  2  1  0
 19 13  1  0
M  CHG  2   4   1   6  -1
M  END
>  <reactant_uuid>  (173) 
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>  <source_uuid>  (173) 
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>  <EmbedRMS>  (173) 
0.09761672517112815

>  <SourceMolNum>  (173) 
87

>  <ConformerNum>  (173) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.6055   -2.4356   -0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9962   -1.1840    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8209   -1.9662   -0.5366 F   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0
 16 18  1  0
 18 19  2  0
  9 20  2  0
 20 21  1  0
 20  2  1  0
 19 13  1  0
M  CHG  2   4   1   6  -1
M  END
>  <reactant_uuid>  (174) 
750ca5e7-72f2-42cc-a402-2ba5b1f1a686

>  <source_uuid>  (174) 
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>  <EmbedRMS>  (174) 
0.09761672517112815

>  <SourceMolNum>  (174) 
87

>  <ConformerNum>  (174) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.3822    2.2440    1.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8882    1.0487    1.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0254   -0.7175    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6773   -1.0450    1.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  2  1  0
 21 15  1  0
M  CHG  2   7   1   9  -1
M  END
>  <reactant_uuid>  (175) 
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>  <source_uuid>  (175) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (175) 
0.0998195877725791

>  <SourceMolNum>  (175) 
88

>  <ConformerNum>  (175) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.3822    2.2440    1.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8882    1.0487    1.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  2  1  0
 21 15  1  0
M  CHG  2   7   1   9  -1
M  END
>  <reactant_uuid>  (176) 
8a5f2c5a-14c0-4885-8fd7-c3e4e03eedd4

>  <source_uuid>  (176) 
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>  <EmbedRMS>  (176) 
0.0998195877725791

>  <SourceMolNum>  (176) 
88

>  <ConformerNum>  (176) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.1722    1.1739   -1.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
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 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  2  1  0
 21 15  1  0
M  CHG  2   8   1  10  -1
M  END
>  <reactant_uuid>  (177) 
3f173380-73d2-4980-9611-6630087b1465

>  <source_uuid>  (177) 
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>  <EmbedRMS>  (177) 
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>  <SourceMolNum>  (177) 
89

>  <ConformerNum>  (177) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  2  1  0
 21 15  1  0
M  CHG  2   8   1  10  -1
M  END
>  <reactant_uuid>  (178) 
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>  <source_uuid>  (178) 
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>  <EmbedRMS>  (178) 
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>  <SourceMolNum>  (178) 
89

>  <ConformerNum>  (178) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0
  7 18  2  0
 18 19  1  0
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 18  2  1  0
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M  CHG  2  19   1  21  -1
M  END
>  <reactant_uuid>  (179) 
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>  <source_uuid>  (179) 
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>  <EmbedRMS>  (179) 
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>  <SourceMolNum>  (179) 
90

>  <ConformerNum>  (179) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 18  2  1  0
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M  CHG  2  19   1  21  -1
M  END
>  <reactant_uuid>  (180) 
57c24845-2684-4032-85aa-d42fb2cdd9ec

>  <source_uuid>  (180) 
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>  <EmbedRMS>  (180) 
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>  <SourceMolNum>  (180) 
90

>  <ConformerNum>  (180) 
2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 21  6  1  0
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M  END
>  <reactant_uuid>  (181) 
2cf53a7b-a942-43c1-a30c-0d0dfe3468d8

>  <source_uuid>  (181) 
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>  <EmbedRMS>  (181) 
0.09852816970202469

>  <SourceMolNum>  (181) 
91

>  <ConformerNum>  (181) 
1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
   10.6032   -0.1426    1.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <reactant_uuid>  (182) 
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>  <source_uuid>  (182) 
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>  <EmbedRMS>  (182) 
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>  <SourceMolNum>  (182) 
91

>  <ConformerNum>  (182) 
2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <reactant_uuid>  (183) 
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>  <source_uuid>  (183) 
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>  <EmbedRMS>  (183) 
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>  <SourceMolNum>  (183) 
92

>  <ConformerNum>  (183) 
1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (184) 
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>  <source_uuid>  (184) 
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>  <EmbedRMS>  (184) 
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92

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2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (185) 
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>  <source_uuid>  (185) 
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>  <EmbedRMS>  (185) 
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93

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1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (186) 
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>  <source_uuid>  (186) 
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>  <EmbedRMS>  (186) 
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>  <SourceMolNum>  (186) 
93

>  <ConformerNum>  (186) 
2

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (187) 
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>  <source_uuid>  (187) 
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>  <EmbedRMS>  (187) 
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>  <SourceMolNum>  (187) 
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>  <ConformerNum>  (187) 
1

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (188) 
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>  <EmbedRMS>  (188) 
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>  <SourceMolNum>  (188) 
94

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2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (189) 
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>  <source_uuid>  (189) 
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1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (190) 
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>  <source_uuid>  (190) 
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>  <ConformerNum>  (190) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (191) 
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>  <source_uuid>  (191) 
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>  <EmbedRMS>  (191) 
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>  <SourceMolNum>  (191) 
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1

$$$$

     RDKit          3D

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>  <reactant_uuid>  (192) 
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>  <source_uuid>  (192) 
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>  <EmbedRMS>  (192) 
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>  <SourceMolNum>  (192) 
96

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2

$$$$

     RDKit          3D

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>  <reactant_uuid>  (193) 
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>  <source_uuid>  (193) 
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>  <EmbedRMS>  (193) 
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>  <SourceMolNum>  (193) 
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$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (194) 
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>  <source_uuid>  (194) 
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>  <EmbedRMS>  (194) 
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>  <SourceMolNum>  (194) 
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$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <reactant_uuid>  (195) 
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>  <source_uuid>  (195) 
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>  <EmbedRMS>  (195) 
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>  <SourceMolNum>  (195) 
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1

$$$$

     RDKit          3D

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>  <reactant_uuid>  (196) 
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>  <source_uuid>  (196) 
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>  <EmbedRMS>  (196) 
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>  <SourceMolNum>  (196) 
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2

$$$$

     RDKit          3D

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  1  2  2  0
  2  3  1  0
  3  4  1  0
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  5  6  1  0
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M  END
>  <reactant_uuid>  (197) 
ad46f59c-f66e-4fd9-a871-bd2efc6f7a1d

>  <source_uuid>  (197) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (197) 
0.0991211499751241

>  <SourceMolNum>  (197) 
99

>  <ConformerNum>  (197) 
1

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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M  END
>  <reactant_uuid>  (198) 
ad46f59c-f66e-4fd9-a871-bd2efc6f7a1d

>  <source_uuid>  (198) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (198) 
0.0991211499751241

>  <SourceMolNum>  (198) 
99

>  <ConformerNum>  (198) 
2

$$$$

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
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  4  5  2  0
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  2 11  1  0
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 10  4  1  0
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M  END
>  <reactant_uuid>  (199) 
9750a3fa-97eb-444a-bc34-8ea1560759f4

>  <source_uuid>  (199) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (199) 
0.10259243646429834

>  <SourceMolNum>  (199) 
100

>  <ConformerNum>  (199) 
1

$$$$

     RDKit          3D

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  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
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 16 17  2  0
 10  4  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (200) 
9750a3fa-97eb-444a-bc34-8ea1560759f4

>  <source_uuid>  (200) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (200) 
0.10259243646429834

>  <SourceMolNum>  (200) 
100

>  <ConformerNum>  (200) 
2

$$$$

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