rcdk::matches() function bugs

[YANGJJ93MS]

There is an issue for substructure match function. I got true value even if the substructure is not in the query molecule.

Please include a minimal reproducible example (AKA a reprex). If you've never heard of a reprex before, start by reading https://www.tidyverse.org/help/#reprex.

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There is an issue for substructure match function. I got true value even if the substructure is not in the query molecule.

mol = parse.smiles('CN(C)c1cccc2c(S(=O)(=O)Oc3ccc4c5c3OC3C(=O)CC(O)C6(O)C(C4)N(CC4CC4)CCC536)cccc12')
query =  'CN(C)CCc1ccccc1'
rcdk::matches(query,mol)

Screenshots

"rcdk::matches(query2,mol1) CN(C)c1cccc2c(S(=O)(=O)Oc3ccc4c5c3OC3C(=O)CC(O)C6(O)C(C4)N(CC4CC4)CCC536)cccc12.match TRUE"

System (please complete the following information):

• OS: windows 11
• R-4.1.1