Dear RDkit community,
I would appreciate your insight into the following simple problem: [H]C(=O)OC([C,H])([H])[H] or [H]C(=O)OC([#6,H])([H])[H] [note that this notation uses [C, H] which implies that in a given position there can be C or H. The situation is similar in [#6,H]] Both of them therefore should match C(=O)OC C(=O)OCC C(=O)OCCC whereas [H]C(=O)OC([H])([H])[H] should only match the first C(=O)OC while [H]C(=O)OC([#6])([H])[H] should only match the second and third C(=O)OCC C(=O)OCCC In reality it matches only the last two C(=O)OCC C(=O)OCCC it does not match the first one: C(=O)OC . I of course add explicit hydrogens to the target molecules, e.g. C(=O)OC?. It looks like the [C, H] notation which implies that in a given position there can be C or H is not recognized (it does not match the H in the [C,H])? If not how can I match cases where in a given position there can be C or H with rdkit? Thank you very much for your help. Best regards, Dr Janusz Petkowski Research Fellow at MIT EAPS<https://eapsweb.mit.edu/people/jjpetkow> Tel: +1 (617) 258 - 6910<tel:%28857%29%20777-6977>
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