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24/01/2014 15:26:02
Normal
Acknowledged
This molecule appears to have an invalid SMILES according to Daylight: http://apps.ideaconsult.net:8080/ambit2/depict?search=OC%28%3DO%29Cc1cc2nnnc2cc1&smarts= Defining one H on the Ns would fix it, e.g. OC(=O)Cc1cc2nn[nH]c2cc1 is consistent with the molecule pictured, see http://apps.ideaconsult.net:8080/ambit2/depict?search=OC%28%3DO%29Cc1cc2nn[nH]c2cc1&smarts=
13/02/2014 15:27:45
As per previous comments, the SMILES have been regenerated and now appear valid.
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