Hi Chris and Greg,
Thank you for helping me identify possible problems.
- The query that Chris suggested to identify count(cid) > 1 returned 0
rows. I was kind of expecting this to be the glaringly obvious problem, but
maybe it's more subtle.
- Greg's test also returned 0 rows. That is
I agree with Chris' later comment that this doesn't look right.
Here's a simple test you can do in order to see if the right thing is
happening:
chembl_21=# select * from (select
'C1(=C(C(=C(C(=C1F)F)P(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F)F)F)F.Cl[Au]'::mol
as mol) tmp where
Hi Akos
Very strange behaviour. I don't see anything wrong with your SQL syntax.
I've tried equivalent searches in my 2.6M compound database and they give
the expected results. I used iodine rather than gold, for which there are
19504 structures. Adding the qualifying SQL clauses singly and in
3 matches
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