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2 different structures are perceived as same #21

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ChemMitch opened this issue Oct 20, 2021 · 0 comments
Open

2 different structures are perceived as same #21

ChemMitch opened this issue Oct 20, 2021 · 0 comments
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@caodac @southalln

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@ChemMitch
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The structures for IDs NCGC00249389 and NCGC00386324 appear fairly similar but there is a difference in the position of a heteratom within a ring.
Nevertheless, the 2 compounds have the same Lychi L1-3.

This fix would be useful for the NSRS project.
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@caodac caodac

@southalln southalln

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@caodac @southalln @ChemMitch