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Chemical Structure Repository

Type

Dataset

Link

http://blueobelisk.sourceforge.net/wiki/DataRepository

Source

Ckan.net

Chemical Structures was initiated in June 2006. It aims to provide a set of organic structures, which includes 3D coordinates, InChi code, molecular weight, melting point, etc. The last release (v2.2.0) contains over 570 structures.

License BSD license according to href="http://sourceforge.net/projects/chem-file/">SourceForge project page.

Repository There is a subversion repository at:

   href="http://wiki.cubic.uni-koeln.de/repos/blueobelisk/trunk/structures/">http://wiki.cubic.uni-koeln.de/repos/blueobelisk/trunk/structures/
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