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32cb97b71126ff378fc499f07a74dadb *CHANGELOG
e4419ccec7edfde0be75a94861004186 *DESCRIPTION
663bbedfb16fa44c0beb82c11ca7515f *NAMESPACE
900741fd3171066ad8232a5f891a7e75 *NEWS.md
363c12e114290775679847288b687d15 *R/atoms.R
5de980cf151c2aa732149da9b5cc7aee *R/bonds.R
be20672ff7b000ee111be34da1599dee *R/datasets.R
f380890dc2b7fd1f358f2fb7a48e091b *R/deprecated_functions.R
c8559acbc7187f736d59e043c90d187d *R/desc.R
fa0dbe11f448965dbdcecd2d7d73bed4 *R/fingerprint.R
71759e9216b82487a78fa6fb027d0cb7 *R/formula.R
1731818b0b3743732c8c3324af71aadd *R/frags.R
f8d895bc46eb5df3f03e1d499f1139c3 *R/io.R
c1aed5072d8b86e1d08ab6ed76db8eb0 *R/matching.R
4e66efcef18105190cb31bf8a0c4d224 *R/matrix.R
f7e7710cee40b6f6deb403714f8e0232 *R/molecule.R
f7b3c35c46d7ac98b979a7a5988e1ad8 *R/props.R
fcab537d0d9048263139d31ad81a9800 *R/rcdk.R
7b13ed382c874e75e62761414f4f138e *R/smiles.R
b1d45df657d4dd2cd5bde1a2de353a42 *R/smsd.R
d110a4c4d36004ffd6abacdfb8de863c *R/stereo.R
bae353bf448b51f9471908f735c8604f *R/visual.R
524872b62557dd16ac6d3df27c2aee2c *build/vignette.rds
850547528b8590c5f8e0f2117522dd36 *data/bpdata.RData
621b48bdf54c60588aa2b753cb8312f4 *inst/CITATION
326e6cdc7aa3dc6a6aacfcb2289f4d4b *inst/cont/com.objectplanet.image.PngEncoder.jar
e5a4f49261109aca4489c67ba686e9ec *inst/cont/rcdk.jar
26f2344bdbf0e76d2a7146876e05c6b4 *inst/doc/PerformanceNotes.R
8713d9d3ee73fd6e8fb2b1777d3f8ad6 *inst/doc/PerformanceNotes.Rmd
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81c4f0faf24fa5be77ee0f7a86965a74 *inst/doc/molform.R
02870c382f6c6b630c736ee4d6730e30 *inst/doc/molform.Rmd
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4339b670289d6267b00a4048f88bfb85 *inst/doc/using-rcdk.R
6958f87869dde10b28f2be22b4d8394b *inst/doc/using-rcdk.Rmd
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ae9823a9eae7f1b14a8a4e14b28a084c *inst/molfiles/alanine.sdf
608c1dcd6b70d6c09aff6476de6abda2 *inst/molfiles/dhfr00008.sdf
9faa02b388641521eb7a98989858a489 *inst/molfiles/formulatest.mol
23933da6d8aa3123b7e9a7ba4dfff2d0 *inst/molfiles/glutamine.sdf
af90695a1ef19974eaa04b5d17c2e1f4 *inst/molfiles/kegg.sdf
d68b0df8b5914042fb60a6ed424004b2 *inst/unitTests/Makefile
586a0478a7ceddfb324e2a81332c313a *inst/unitTests/runit.atoms.R
993efb6e65748df8345be7a174ff4016 *inst/unitTests/runit.bonds.R
29e78d66385e24fb2502c1aab8e4cddb *inst/unitTests/runit.depiction.R
96d770946c47227378a16c39e2681f1a *inst/unitTests/runit.descs.R
83dc8cb8b0e8eac37feed8ec572e7b4b *inst/unitTests/runit.fingerprints.R
e85d9d9fec1325bb013da8d623a32db0 *inst/unitTests/runit.frags.R
4e20194f8e9aaf18946ce4e54fbf8211 *inst/unitTests/runit.match.R
dc6a130b7131b6ac1aadfeb047bae785 *inst/unitTests/runit.props.R
2f9d97f617382e0e90f34b49ea39de7a *inst/unitTests/runit.rcdk.R
288057fb0cd87243083b8318281dc914 *inst/unitTests/runit.smiles.R
7de85252099c9057e30628dddbbe17b9 *inst/unitTests/runit.visual.R
086315ee8b2ade0bf4e67b34d567425b *java/README
9bed5505e936d7d336d784b7de29d8ed *man/Atoms.Rd
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7fbcf9367fc0d9486f7f661de4ea7c4b *man/bpdata.Rd
6f0a840b0745d5226db2241b32fbb2e6 *man/cdk.version.Rd
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8442a02725c128601e9e8320f8e19494 *man/get.fingerprint.Rd
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4db7c4b78d702d75868d8a1b5253611d *man/get.formula.Rd
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a40d1f9ff9ebb1a0b24e30eecc4fed61 *man/get.isotope.pattern.generator.Rd
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3234ddb89ccb3ca07868ab223eddbfe5 *man/get.isotopes.pattern.Rd
158b397eee31d9b6122806c6d8b1e158 *man/get.largest.component.Rd
88387b4ae57ce2f88034ae98de7529ce *man/get.mcs.Rd
3dc429c6a85fcf005de352751797ae8b *man/get.mol2formula.Rd
ea27ed5be82058751ecc9aaa22c441fb *man/get.murcko.fragments.Rd
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8beb79795e4980f34b9f6a169e829214 *man/get.point2d.Rd
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9fb2fb6e1b65d924a7efce087f966604 *man/remove.property.Rd
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63057bc9db135498040fda73ddc83fe6 *man/set.property.Rd
60c6a64ebd963535694915a6ff3ded60 *man/set.title.Rd
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949b4b892bc2461dc88c5de3aec205d6 *man/view.image.2d.Rd
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a7cb942d6e914bce10aae099f1443e78 *man/write.molecules.Rd
256654623666bb463e5c11a87aad9ac3 *tests/doRUnit.R
8713d9d3ee73fd6e8fb2b1777d3f8ad6 *vignettes/PerformanceNotes.Rmd
02870c382f6c6b630c736ee4d6730e30 *vignettes/molform.Rmd
6958f87869dde10b28f2be22b4d8394b *vignettes/using-rcdk.Rmd
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