On Jul 11, 2010, at 9:21 AM, Nina Jeliazkova wrote:

>>
>>
>> Then this smiles should be perceived as invalid, and parsing should  
>> fail -
>> isn't it?
>>
>
>
> Or it should rather be parsed  this way
> http://apps.ideaconsult.net:8080/ambit2/depict/cactvs?search=c1cccccc1


Yes, it could be done this way. But I think that image is derived by a  
Kekulization step - the CDK isn't doing that explicitly

----------------------------------------------------
Rajarshi Guha        | NIH Chemical Genomics Center
http://www.rguha.net | http://ncgc.nih.gov
----------------------------------------------------
All seems condemned in the long run to approximate a state akin to
Gaussian noise.
	-- James Martin