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rdkit/Code/GraphMol/ChemReactions/testData
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Nadine Schneider d8ee04b5b7 Bugfix in the chirality handling of chemical reactions
2015-01-09 10:34:28 +01:00
..
AmideBond.rxn
merge in chemical reactions branch (r173:183)
2007-02-23 18:05:50 +00:00
atomflags.rxn
forgotten test file
2009-06-03 03:50:33 +00:00
bogus_github290.rxn
Fixes #290
2014-07-12 08:20:31 +02:00
cyclization1.rxn
merge in chemical reactions branch (r173:183)
2007-02-23 18:05:50 +00:00
cyclization2.rxn
merge in chemical reactions branch (r173:183)
2007-02-23 18:05:50 +00:00
github243.rxn
Fixes #243
2014-04-13 07:15:35 +02:00
rxn1_1.mol
ChemReactions: Extented functionality of chemical reactions
2014-08-19 13:08:11 +02:00
rxn1_2.mol
ChemReactions: Extented functionality of chemical reactions
2014-08-19 13:08:11 +02:00
rxn1.mol
ChemReactions: Extented functionality of chemical reactions
2014-08-19 13:08:11 +02:00
rxn2.mol
ChemReactions: Extented functionality of chemical reactions
2014-08-19 13:08:11 +02:00
SN2_FlagProd.retain.rxn
merge in chemical reactions branch (r173:183)
2007-02-23 18:05:50 +00:00
SN2_FlagProd.rxn
merge in chemical reactions branch (r173:183)
2007-02-23 18:05:50 +00:00
SN2_FlagReact.rxn
merge in chemical reactions branch (r173:183)
2007-02-23 18:05:50 +00:00
testpickle.bin
ChemReactions: Extented functionality of chemical reactions
2014-08-19 13:08:11 +02:00
testRXNChirality1.sdf
Bugfix in the chirality handling of chemical reactions
2015-01-09 10:34:28 +01:00
testRXNChirality2.sdf
Bugfix in the chirality handling of chemical reactions
2015-01-09 10:34:28 +01:00
testRXNChirality3.sdf
Bugfix in the chirality handling of chemical reactions
2015-01-09 10:34:28 +01:00
testRXNChirality.rxn
Bugfix in the chirality handling of chemical reactions
2015-01-09 10:34:28 +01:00
v3k.AmideBond.rxn
cleanup work on file parsers code; add v3K rxn support
2010-06-03 06:59:48 +00:00
v3k.cyclization1.rxn
cleanup work on file parsers code; add v3K rxn support
2010-06-03 06:59:48 +00:00
v3k.cyclization2.rxn
cleanup work on file parsers code; add v3K rxn support
2010-06-03 06:59:48 +00:00