7569adf01638eda2b5dc0183e0f59963 *CHANGELOG
8db6ddd59c29ad64b77198aa97c86bd7 *DESCRIPTION
50690d58bfb3c53dbfaf37a0d5e13c27 *NAMESPACE
9c61637dfe4aafd83dccfa63eeb2b50d *NEWS
09b9329e790ac036937a5a602c6f199b *R/atoms.R
782b30f5b54cdd910adf9515b21a6003 *R/bonds.R
be20672ff7b000ee111be34da1599dee *R/datasets.R
58dceb51e46ee59785c09421339a1fd9 *R/desc.R
495333e83f014e493f97d312e5a7a964 *R/fingerprint.R
414dee67dd6cc7a0b768ee0dbf67a145 *R/formula.R
e13e3d5373213417ca109a3065e64c12 *R/frags.R
c96b52b7625aa66130195900755d43df *R/io.R
aa3f35954deec551ee32d7d8665063de *R/matching.R
4e66efcef18105190cb31bf8a0c4d224 *R/matrix.R
a33dcd45d3fbd928c90320ccd224baf2 *R/molecule.R
1b6e8d84758be66202435f2b52db485a *R/props.R
68490be188528f7556fe869004af5b43 *R/rcdk.R
e96831fcd05e13133ad5552921c56658 *R/smiles.R
cfd019a5371732e41290cafc9fa99f2f *R/smsd.R
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56190e04832253be2f7cda351ed5aea8 *R/visual.R
f2c9dbb1be255b62c6def58018df80a4 *build/vignette.rds
850547528b8590c5f8e0f2117522dd36 *data/bpdata.RData
84aea4e603ef1c5d0e0dd2844a66f43c *inst/CITATION
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ad1793a551f60b626a35363e18943cff *inst/cont/rcdk.jar
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1d84337790f5074cf8a02a31247c5655 *inst/doc/using-rcdk.R
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608c1dcd6b70d6c09aff6476de6abda2 *inst/molfiles/dhfr00008.sdf
9faa02b388641521eb7a98989858a489 *inst/molfiles/formulatest.mol
af90695a1ef19974eaa04b5d17c2e1f4 *inst/molfiles/kegg.sdf
d68b0df8b5914042fb60a6ed424004b2 *inst/unitTests/Makefile
5d1789dc0f3424cb569ed67eb695aa58 *inst/unitTests/runit.atoms.R
29e78d66385e24fb2502c1aab8e4cddb *inst/unitTests/runit.depiction.R
89108edff3fa38a5f22c31073960e316 *inst/unitTests/runit.fingerprints.R
00071ddf4667596c8b3587efd030b4ce *inst/unitTests/runit.frags.R
15b7646c9eca24623e69c8995f50eeec *inst/unitTests/runit.match.R
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0ef7d7c731872d3d424417d2f518fd50 *inst/unitTests/runit.rcdk.R
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7de85252099c9057e30628dddbbe17b9 *inst/unitTests/runit.visual.R
086315ee8b2ade0bf4e67b34d567425b *java/README
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6f0a840b0745d5226db2241b32fbb2e6 *man/cdk.version.Rd
59fabb75ab6104eea692bc8289ff75ad *man/cdkFormula-class.Rd
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3234ddb89ccb3ca07868ab223eddbfe5 *man/get.isotopes.pattern.Rd
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60c6a64ebd963535694915a6ff3ded60 *man/set.title.Rd
cc81bca71a93915c7846c2f50b416e07 *man/smiles.flavors.Rd
949b4b892bc2461dc88c5de3aec205d6 *man/view.image.2d.Rd
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a7cb942d6e914bce10aae099f1443e78 *man/write.molecules.Rd
256654623666bb463e5c11a87aad9ac3 *tests/doRUnit.R
3fa4e78b4ab40ac110f211525eddf16c *vignettes/molform.Rmd
31303840317e2366a5fce3b5e99a2761 *vignettes/using-rcdk.Rmd
