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ZINC
Free database of over 2.7 million commercially-available compounds for virtual screening in ready-to-dock, 3D format.
http://zinc.docking.org
Docking.org ~
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EuroSpec
International spectroscopic data bank and archive project for spectroscopic and associated data, from peer reviewed publications, with link to the chemical abstracts register.
http://www.is-db.org/eurospec/
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PubChem
Free database of chemical structures of small organic molecules and information on their biological activities. Linked with NIH PubMed/Entrez information retrieval system.
http://pubchem.ncbi.nlm.nih.gov/
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Munir's Pages
Database containing experimental LogP values together with 2D and calculated 3D structures of more than 500 chemical compounds.
http://www.essiz.net/muniressiz/chimie/chimie.php
Essiz.net ~
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