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Feb 13 at 8:32 history protected xzczd
Feb 13 at 7:20 answer added xzczd timeline score: 3
Feb 5, 2020 at 15:47 answer added Joshua Schrier timeline score: 3
S Feb 5, 2020 at 14:59 history suggested AsukaMinato CC BY-SA 4.0
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S Feb 5, 2020 at 14:59
Feb 5, 2020 at 3:01 history tweeted twitter.com/StackMma/status/1224890707300753409
Feb 5, 2020 at 0:25 vote accept Shredderroy
Feb 5, 2020 at 0:25 comment added Shredderroy Thanks for the comment about SMARTS. Unfortunately, I am not a chemist, so I am having to learn some of these things as I go along.
Feb 4, 2020 at 23:17 comment added Jason B. MoleculePattern[mol1, {1}] returns a pattern that should match atom 1 in mol1. In this case, that pattern also matches other oxygen atoms. To get a pattern to specifically match each oxygen requires a recursive SMARTS. The three oxygen atoms should be matched by {MoleculePattern["[$(O=Cc)]"], MoleculePattern["[$(O=C[R0])]"], MoleculePattern["[$(O=C[R2])]"]}
Feb 4, 2020 at 22:32 answer added kglr timeline score: 6
Feb 4, 2020 at 19:48 history edited Shredderroy CC BY-SA 4.0
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Feb 4, 2020 at 19:40 history asked Shredderroy CC BY-SA 4.0