Terminal triple CC bond searches

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zarn...@gmail.com

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Apr 13, 2017, 5:15:33 AM4/13/17
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Dear Support, 

I have found an issue with Bingo substructure searches and terminal triple bonds.

If I search for CC#C I only find the structures with internal triple bonds, where as CC#C[H] finds all the terminal triple bonds.

This doesn't happen with CC=C searches because this finds internal and terminal double bonds. 

Hope that makes sense. 

Regards, Karl

zarn...@gmail.com

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Apr 13, 2017, 9:30:18 AM4/13/17
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I have similar issues with N#C searches

N#C finds for example

N#Cc1nc(C)ccc1F 
O=Cc1cc(c([nH]1)C)C#N
Cc1c(cc[nH]1)C#N
N#Cc1c(C)c[nH]c1C
N#Cc1ccc([nH]1)C(=O)C
N#CCCNc1ccccc1Cl
N#CC(=C1OCCO1)C#N
N#CC(C(c1c(C)cc(cc1C)C)C/C(=N/NC(=O)N)/c1cccs1)

where as N#CC doesn't find any of these.

Thanks, Karl

zarn...@gmail.com

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Apr 13, 2017, 9:41:18 AM4/13/17
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Another example of the N#C search issue is 

This sub search CCN1CCCCCCC1  or CN1CCCCCCC1 or N1CCCCCCC1

finds N#CCN1CCCCCCC1

where as N#CC doesn't 

but N#C does. 
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