docking-org / cartblanche22

A molecule shopping cart and ZINC-22 search tool
https://cartblanche22.docking.org
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smile search result pictures were all the same #38

Closed ChinzoD closed 3 years ago

ChinzoD commented 3 years ago

From: John

I looked for this smiles

BrC(CNCc1cccnn1)=C1CCOCC1

with dist=0 I got 52 matches but they were all the same (the pictures were all the same)

Please check it. I agree with the last one. dist=1, I'm not sure why there are so many other molecules. it seems wrong.

when i click on the code above the molecule I get "we found 0 matches" which does not seem right. please check it

zula1010 commented 3 years ago

solved