[Zinc-fans] Same IDs for molecules
Lena Dolghih
dolghin at qtp.ufl.edu
Mon Jun 18 11:41:03 PDT 2007
Hi,
I downloaded a subset of molecules in sdf, mol2 and smiles formats.
There are quite a few cases when both mol2 and sdf files have more then one
entry with the same name and ID.
When i go back and search database for that ID, i get only one molecule.
Also if i download the mol2 file for just that molecule (instead of downloading
the file with the whole subset) - i see only one entry.
If the two compounds with the same ID are tautomers then why do I not see both
of them when i download the file individually?
Also, is there a way to pick just one?
lena
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