Hi Axel Have a look at https://github.com/jensengroup/protonator
Best regards, Jan On 6 Oct 2022, at 12.09, Axel Pahl <axelp...@gmx.de<mailto:axelp...@gmx.de>> wrote: Dear RDKitters, does someone have a good SMARTS definition for basic nitrogen (aliphatic and aromatic), which they would be able to share? My Google-fu is failing me. Many thanks in advance. Kind regards, Axel _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net<mailto:Rdkit-discuss@lists.sourceforge.net> https://eur02.safelinks.protection.outlook.com/?url=https%3A%2F%2Flists.sourceforge.net%2Flists%2Flistinfo%2Frdkit-discuss&data=05%7C01%7Cjhjensen%40chem.ku.dk%7Cb721ceda94f04d933de708daa7834e8b%7Ca3927f91cda14696af898c9f1ceffa91%7C0%7C0%7C638006479671068146%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=CEX%2BmzqRpDEu6jkEyVHkUn55b9eOdYPjnXdg4T%2FTEmw%3D&reserved=0
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