[Cod-bugs] How to download SMILES from COD?

江頭 啓 Hiromu Egashira egashira at ono.co.jp
Sun May 13 16:02:33 EEST 2018


Dear COD administrator,

I'm Hiromu Egashira, computer chemist, belong to ONO Pharmaceutical in
Japan. COD is quite useful for me to search ligand crystal data.
I would like to search many compounds at once, so I would like to download
the SMILES from COD. I found the page "Obtaining COD", but I couldn't find
how to download SMILES. I think you have SMILES file, because you
write "substructure
search by SMILES is currently available in a subset of COD containing
160697 structures."
I will appreciate if you could answer my question.

regards,

Hiromu

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Hiromu Egashira

Group Head, Group II, Medicinal Chemistry Laboratories III

ONO Pharmaceutical Co., Ltd.

3-1-1 Sakurai, Shimamoto-cho, Mishima-gun, Osaka
<https://na01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fmaps.google.com%2F%3Fq%3D3-1-1%2BSakurai%2C%2BShimamoto-cho%2C%2BMishima-gun%2C%2BOsaka%26entry%3Dgmail%26source%3Dg&data=02%7C01%7CKaren.Williams%40crl.com%7C08cdf87ea09a441d1afd08d58a5e1631%7C374f8930e1504031bb35483215fe5900%7C0%7C0%7C636567059072351027&sdata=nMmYFhEeBKNiM6R8oXrG4ADH%2BFoiaRRtVlNeC6NZH6k%3D&reserved=0>
 618-8585, Japan

Phone +81-75-961-1151 <+81%2075-961-1151>, Fax +81-75-962-9314
<+81%2075-962-9314>

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