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@cdk@fosstodon.org

Post #1978203

2026-03-20 11:16 UTC

@dalke we find 50: https://cdkdepict.cloud.vhp4safety.nl/depict/bot/svg?smi=CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C&w=-1&h=-1&abbr=on&hdisp=S&sma=%5B%24(%5BCD4H0X4%5D(-*)(-*)(-*)-*)%5D&zoom=1.3&annotate=none&r=0

Replies (1)

  • @dalke@toots.nu 2026-03-20 11:35

    @cdk The OEChem equivalent also finds 50, as does my eyeball interpretation. The question is, what does RDKit return, with the secondary question "why"?

    Open ##1978204