cistrans.smi missing explicit [H] examples

nextmovesoftware / smilesreading

SMILES reading benchmark

BSD 2-Clause "Simplified" License

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cistrans.smi missing explicit [H] examples #5

Open sroughley opened 6 years ago

sroughley commented 6 years ago

The file cistrans.smi is missing cases where the bond stereochemistry is indicated to an explicit hydrogen atom, e.g. FC(/[H])=C/I, which has been a source of bugs (sometimes on downstream processing, e.g. https://github.com/rdkit/rdkit/issues/754)

baoilleach commented 6 years ago

Noted - I'll add those in the next iteration. Thanks.