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5 Commits

Author SHA1 Message Date
Ian Bell
02d2da7971 Tidy up whitespace according to python 3 JSON module 2019-01-27 15:55:32 -07:00
Chris Neal
e8162946a0 Added standard InChi key & string for R40 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6327#section=Names-and-Identifiers
 2018-05-11 13:15:59 -04:00
Ian Bell
9bd37e7d64 Add InChI keys and string, SMILES, etc; closes #1069 
See also #115
 2016-07-27 19:42:31 -06:00
Ian Bell
b829da57e1 Finalize 2016-01-04 20:57:31 -07:00
Ian Bell
2d2edd1221 First cut at R40 2016-01-04 20:47:09 -07:00