<div dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif;font-size:small;color:#333333">Oh, and here is a good article on the SMILES isomorphism problem:<br><a href="https://depth-first.com/articles/2021/10/06/molecular-graph-canonicalization/">https://depth-first.com/articles/2021/10/06/molecular-graph-canonicalization/</a><br></div></div>