4ff0d430350ab498fe521e43f2308ba2 *CHANGELOG
24ede3c3c05def473ad576b95dfbf5b7 *DESCRIPTION
6962c52139288d2a72de63d1379e9f89 *NAMESPACE
3d5a13e3f50450745d459ca7f5656933 *NEWS
d21edb87dfea8bedfa6036f2faa68f2c *R/atoms.R
2f05877cc5ae67199f25f21e646075e1 *R/bonds.R
e6db4398862532422aa6aba335bf0b5d *R/desc.R
9847f58b584e3a763d0293af8a916fed *R/formula.R
2c39c89490d1c0078b2474f142c3943f *R/frags.R
5d99116afe4dc06e8f0f4ae5db2581e7 *R/io.R
b642986ef9ee0dfd9ad685ace9672589 *R/iterating.R
aa37dc2c9d967a436278a4f44c41603e *R/matching.R
8d3fd8570db7c1ecc9e00df7a15bd74b *R/props.R
a22c8a984e583380a351c1acc0abdf08 *R/rcdk.R
804d88eabc1621286b1bfab5800539c2 *R/smiles.R
8a2df955a26afbdb74bc948d85c41f7b *R/smsd.R
417d054d11d0f9ebdb116294e0a1bf8a *R/visual.R
850547528b8590c5f8e0f2117522dd36 *data/bpdata.RData
676e1745b81b02de35076f7b4784d104 *inst/CITATION
326e6cdc7aa3dc6a6aacfcb2289f4d4b *inst/cont/com.objectplanet.image.PngEncoder.jar
083aab109c8f4637755a0ee7af7b9469 *inst/cont/rcdk.jar
2161981b0ce09f96dab17ff45000c01d *inst/doc/auto/rcdk.el
46f5fa4fcaebfb1c68779fa1987cce19 *inst/doc/rcdk.Rnw
e19947f0936b1f9f3207714e3a92eea8 *inst/doc/rcdk.pdf
d68b0df8b5914042fb60a6ed424004b2 *inst/unitTests/Makefile
c0092646b7ecf7e989e68d6cfe51f871 *inst/unitTests/runit.atoms.R
dbfb5794379be67264c80a5f193a6258 *inst/unitTests/runit.frags.R
b8b7f11c8bf8ba78cdbbb4c1fdcb604b *inst/unitTests/runit.match.R
70b5d695488412d2834195dd94369d80 *inst/unitTests/runit.props.R
2df50e9eb934536bb4a9eb27e2012b9b *inst/unitTests/runit.rcdk.R
874376073495e82c5691afd2e0a1d32f *inst/unitTests/runit.smiles.R
7de85252099c9057e30628dddbbe17b9 *inst/unitTests/runit.visual.R
413484ece5549cf5f2d800555689d920 *man/atomcontainer.Rd
8218be44092a9b80dea3484563f92c8c *man/atoms.Rd
57a1ffdefa1103ee8568aa6dc0a33ed3 *man/bpdata.Rd
a3fceb904be63a519041ebbd8cbe1def *man/cdkFormula-class.Rd
92849d146a1eb17c087b1d281757f496 *man/cdkversion.Rd
a80d0271d14608a8d10a3e2594c0f3ea *man/evalatomicdesc.Rd
5f46ccd0f7ff4506f01084f282e5d8bc *man/evaldesc.Rd
5b36bcce3056e386bbe063d5b3edd853 *man/frags.Rd
e727fcb0ea79139f6bdd45756df4bc1d *man/generateformula.Rd
ee3a5713be3c1c69e50ebe9038682625 *man/getatomdescnames.Rd
ee7ad4f0c9312da08e971ab748a9bdb5 *man/getatoms.Rd
468f5e2ee2d733dbc41df281fb414b08 *man/getbonds.Rd
b1598bb517813687c68e0f8aebb1cf17 *man/getconatom.Rd
e48edb9cc35936533d179c0ed5a0fb06 *man/getdesccat.Rd
d576d044e94fcd729267d01d26566c60 *man/getdescnames.Rd
f51a9e2c606e7425a1f9fee29aaf22e6 *man/getformula.Rd
9945a5a70b6bb18d76b5481ed9b5e5db *man/getfp.Rd
2af888d33068bccd27490d06e514e1a1 *man/gethcount.Rd
2aaebbd8bef0a24e8925c0499c779563 *man/getisotopepattern.Rd
c68d50d6c6b27024016e817af764ba5b *man/getlargestcomp.Rd
b7003142474268862a59b24cc884f1c4 *man/getmol2formula.Rd
d806a901ed11db1bf0593eb7ec664909 *man/getproperty.Rd
ace272ff2531107823c1418fa0e2a2a7 *man/getprops.Rd
c19da1a22733a492b5e633b4941ebd39 *man/getsmiles.Rd
ae397ffdbfc796c81464ea9db9756827 *man/getsmilesparser.Rd
1f2b60e81e1b6a2e4263ce7cc4b5d285 *man/gettotalcharge.Rd
70f66c51b209644791b777cda5eada54 *man/hasNext.Rd
d7547ec8833bfd0220a6ae061e276459 *man/isvalidformula.Rd
bd93668d5b4fbffd148ca715ca4cd9ff *man/loadmol.Rd
bb19dcd3141e52442c7669768c3c317e *man/match.Rd
277fc26426936309d5c5e8dca98bb2ca *man/ops.Rd
05069028883d9761235dddab4b63db76 *man/parsesmiles.Rd
356490c725c85d2480ec9126e4b44b5a *man/props.Rd
682e15e0b92eeb40feb4c7878e069308 *man/removehydrogens.Rd
e4ae58eefd0e3bf58b3f00eec438ed8b *man/removeproperty.Rd
ff7301906f2bb2b3b4ea51ba176fd80c *man/setchargeformula.Rd
94251814ef329b146d4191996167b038 *man/setproperty.Rd
0200994f8934db42bf26500da21ddab4 *man/viewmol2d.Rd
207efa3b725450f9e2fdcc11791d49e5 *man/viewtable.Rd
dc99b056cbc3e4a5a42d6f3a25c34b74 *man/writemols.Rd
48f8455f7dc13873c32d73018c457730 *tests/doRUnit.R
