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Problematic SMILES #519

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danielhollas opened this issue Sep 26, 2023 · 1 comment
Open

Problematic SMILES #519

danielhollas opened this issue Sep 26, 2023 · 1 comment
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List of SMILES which currently do not work in SmilesWidget. Feel free to reopen the issue if you come up with new ones!

  1. [H][C]1C2=CC=CC3=C2C(C4=C1C=CC5=C4C6=C(C7=C([C]([H])C8=CC=CC9=CC=CC7=C98)C=C%10)C%10=CC=C6C=C5)=CC=C3
@danielhollas danielhollas added the bug Something isn't working label Sep 26, 2023
@danielhollas danielhollas self-assigned this Sep 26, 2023
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I briefly looked into it and this SMILES will be harder to fix, none of the various RDkit options I tried worked.

Next step is to try to tease out a concrete Error coming from RDkit. If we do not manage to figure this out, I'll open an issue on RDKit itself.

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