Hello All,

I have looked around the email list and studied the daylight guide as well as 
the opensmiles website in hopes of solving my problem.  External r-groups is a 
proposed extension but that is all I could find.

It is possible that I have made it too complicated though.

In discussions with my synthetic chemist we came up with 27 substituents two 
place around our molecule scaffold.
I labeled the scaffolds with R1 in the position that the substitution will 
occur and attached a dummy label to the substituents.  I thought that I could 
do a simple replacement rxn.  However, I have not been successful.

The smarts string so far is listed below.

 >> [c;R:1]-[c;R:2]-[c;R:3]-[c;R:4]-[c;R:5]([*:9])-[c;R:6]')

Basically just adding a group to positions along a benzene ring

Brian Bennion

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