rdworks/__init__.py,sha256=qf3CIbfRDCWjd3TkkZll8RDDXMvyQTGOS9xmsdM7Row,1399
rdworks/complete.py,sha256=udtCfJjo43Oqm2WI5GWhfLhnEFZHrQCKru77lvumSDI,4641
rdworks/conf.py,sha256=cHzbdxZn35vTv1rbNSPB4LO194VcsWOSMU0xRzVtnO8,46023
rdworks/descriptor.py,sha256=34T_dQ6g8v3u-ym8TLKbQtxIIV5TEo-d3pdedq3o-cg,2106
rdworks/fileio.py,sha256=9sm1HqJNZHEXv6tO-Ftve4wRAdsaG5QHVbYA2h-1M9U,13832
rdworks/fingerprint.py,sha256=AQdPEEm3UVPofO9Gagu_eavbFc4Bi01vvpiiSksonQ8,1282
rdworks/matchedseries.py,sha256=BiMTxZEYHlyWHvlRhMouiNLsy6XimvFamLUPc2hhhes,26824
rdworks/microstate.py,sha256=4xTCd9sTKm9HBhnK6OlB1PtYTdRKqLQ-yuKVR-dZGWY,65894
rdworks/mol.py,sha256=jEVmqQ0rmn8MXHCcA7eVGJYV1S6qUvvL-OyoVGgraR0,82752
rdworks/mollibr.py,sha256=gpHTDOUeVKxDQKD8b96fYXpApNFZy1wEIM_YeRD4U9g,39229
rdworks/rgroup.py,sha256=ivF2gzmRtt339rxEnkv2KfnCs0CUdBbnSje7Y54rtFI,57996
rdworks/scaffold.py,sha256=dG7oDmhm8m6KBLz1Q9XJ2V-HK3UEfY61sYgHSunRfGc,22305
rdworks/std.py,sha256=qOVS_lGogueLKh4rsbrsYIMR0c7z_xh6BqLEzD4X9sE,7938
rdworks/stereoisomers.py,sha256=2Fp89ItDy5nbZ7FO1KHl0X0yUa2gz95BzbgfQSLnzb0,2686
rdworks/tautomerism.py,sha256=Hnk_5pSrBaeBeqwMfKDy33XD_K0MzMIBTByP4MkTjdw,6723
rdworks/testdata.py,sha256=TmbNPA-ju6nTBt_Yts4EJUFmL9Cd6DCVXrDF42QLlHw,1732
rdworks/torsion.py,sha256=i42RlovMDjYkcDmRbE6PWA49FJ4PcE3mqQaMvq5LB0I,18801
rdworks/units.py,sha256=nljKPHcr6IWoAp0CkL7y1gSNDd6a07NeVfxXwSMuHQM,365
rdworks/utils.py,sha256=jtktnIhPp0RgwBl5QKWNPyZ-14dF1PtDU6io6VYAHZg,14629
rdworks/view.py,sha256=E5LFyQfxs7w_24IVUWz-asQiPR6MZx6QLu8KA9TIYak,24456
rdworks/xml.py,sha256=aaMhwVRGvt1VzasaKDnkYnZ4kp2cIgvGb1CsmMgwQ_c,10704
rdworks/autograph/__init__.py,sha256=0Qfjwo0h4Q0n08zsqHRbuNOZms6MuNXnWErnQpQ6Px0,140
rdworks/autograph/autograph.py,sha256=frjsUaCTOD-Z1lYPzOxRoTtqMMiYroWAy6tSwKn3CUA,8769
rdworks/autograph/centroid.py,sha256=_V6pf3IhC-NtRC--rZIOUJSINWjnItqRlXoyaXuwxMU,4679
rdworks/autograph/dynamictreecut.py,sha256=G8REdgmnoYT9VwQCilVOYwDkto0urpe2RwTG1eY9sjo,5314
rdworks/autograph/nmrclust.py,sha256=NwFu8Wf_Sw55GePP1nl5Ja-BJQGV5czXT_HUm8OraTc,5238
rdworks/autograph/rckmeans.py,sha256=dcOrAWu7P48aH3ysQU-gkOx40rGivKW9lG_Kp1doDO4,2484
rdworks/bitqt/__init__.py,sha256=tT7iMn3nvCxxYjZf7JKB_RQ4DWnD7MVlZNdgLxTXbn0,43
rdworks/bitqt/bitqt.py,sha256=uf6aY-MP7pNcgUVcXqv2c7oG4EkaQUJu-ZBA54PLKu0,12886
rdworks/predefined/Asinex_fragment.xml,sha256=ZU5UUhNsWMvnqJG2aCbVyxAdEXb86aE6LRYUQyIgC3k,462
rdworks/predefined/Astex_RO3.xml,sha256=GvRVP-ZGkklg7ncEnUJGEzTMhWsBbz6Qqkbgl7hcKOM,315
rdworks/predefined/CNS.xml,sha256=FK05pdK9SaOk_qV3xaVi77QFUiPuTf7x5YHHk0h12Hs,497
rdworks/predefined/ZINC_druglike.xml,sha256=d1yHEoVbSjTltHcWnIsD_Iv-rE7boWAMM3KpG5SkPoE,649
rdworks/predefined/ZINC_fragment.xml,sha256=SeM2pns0a_mqkbc8ZIw1sCfwlUxJ4SfY0oZ6GsHOEVI,345
rdworks/predefined/ZINC_leadlike.xml,sha256=05-AS6RB1taXyQB7M6yo8U_BAgvbF79tPcgmebEAITc,424
rdworks/predefined/fragment.xml,sha256=4Ob1ha0GAMb4LGOwRM15QrzTDtwWQnmf8buRVDw_E_g,150
rdworks/predefined/Baell2010_PAINS/Baell2010A.xml,sha256=xVNjnZ9nc2r-ZIbrZkh-oKAAPe3V5Njsyys6XRwvoXs,2727
rdworks/predefined/Baell2010_PAINS/Baell2010B.xml,sha256=cZGUY7LvoWH2DdEtSYgvAOjXxDl_iTxjZXAmFTRcUKQ,9694
rdworks/predefined/Baell2010_PAINS/Baell2010C.xml,sha256=fXa1BEZ_VwRBiyPmWCaJpwYgN0k4vwmJDpvuQi7o2Yo,77351
rdworks/predefined/Baell2010_PAINS/PAINS-less-than-015-hits.xml,sha256=DiN7BDqzHZVlBBiKz_3FnE946C-arZzwI_ViFbC9xvM,100323
rdworks/predefined/Baell2010_PAINS/PAINS-less-than-150-hits.xml,sha256=d581YDP4CFf7L94yIUeq_NQaqgw7abQKSdcLkdlMCG4,12912
rdworks/predefined/Baell2010_PAINS/PAINS-more-than-150-hits.xml,sha256=9lG66n90nZ6PtNcbQqvGOm-0Vhp6gpmEe7_sKVpiuqo,3652
rdworks/predefined/Baell2010_PAINS/makexml.py,sha256=kBxeY_4AZCTBKa2vCeeHC96zXpOElomcI2IK8hgUCqY,1796
rdworks/predefined/Brenk2008_Dundee/makexml.py,sha256=ECbw2UdZPwyAJqmjvhtw8xyetAZ4Gf3MJsoouH2ULGI,597
rdworks/predefined/ChEMBL_Walters/BMS.xml,sha256=_SnJuZsKnliTF40FaMHAaOXnyI0j5_mn4g0vJHoL08Y,29113
rdworks/predefined/ChEMBL_Walters/Dundee.xml,sha256=v7Myt6hZ1Jo0bORAiy2YhIshK_2Xa7sGS3XA5LeXQ_8,11144
rdworks/predefined/ChEMBL_Walters/Glaxo.xml,sha256=AFXlVASdpJ7j_-GAbcdw5-a65WW2aOg64n1_xfaeut8,5956
rdworks/predefined/ChEMBL_Walters/Inpharmatica.xml,sha256=GYwpb2SzzGdkNZqEdBxeFaxthYCyQ-MhBHXCYFCb9l0,10315
rdworks/predefined/ChEMBL_Walters/LINT.xml,sha256=k3BGXhrLA2TOlX_qPUma4ogGUmzE4lUnC4iq6WffMgo,6039
rdworks/predefined/ChEMBL_Walters/MLSMR.xml,sha256=AQAiu0tJCh90p7fchFizXbqh_85TEGdVLOzoiWWBwy4,12444
rdworks/predefined/ChEMBL_Walters/PAINS.xml,sha256=fCTbbo-HcAYr-Y89MaxyQAddAR3cDWVdOrpECnvYrOQ,88250
rdworks/predefined/ChEMBL_Walters/SureChEMBL.xml,sha256=mREh6H39TQ6op-535vyCfWYJ4PPOZpwlOdx8bhFJ7ys,17638
rdworks/predefined/ChEMBL_Walters/makexml.py,sha256=8ivuZOlFG-p-M5ei9TPnEsmbG825H5ow1kJ3a8URLKE,1324
rdworks/predefined/Hann1999_Glaxo/Hann1999.xml,sha256=srA9TGGwqcWLNDOloJOp9StBNqzuD5va4QMBjUt1Zik,5680
rdworks/predefined/Hann1999_Glaxo/Hann1999Acid.xml,sha256=v-ZkhoTJWUv1NhxKqYy97-HRHtUsEBhTLtU_q625Cug,2925
rdworks/predefined/Hann1999_Glaxo/Hann1999Base.xml,sha256=8q74TAzPlz8dJM2W0XvANbYrmP0wof3k6Oyw09QERWY,336
rdworks/predefined/Hann1999_Glaxo/Hann1999ElPh.xml,sha256=sZQ6rQvgMRqAoHBSees2dWkEIChcGcXyyBxBJHLuhUw,402
rdworks/predefined/Hann1999_Glaxo/Hann1999NuPh.xml,sha256=g5vjQbp2e4VMIaNbumyxDjUlJYGABl3_VI5z5rh5p-8,318
rdworks/predefined/Hann1999_Glaxo/makexml.py,sha256=cPfB9lkfPRbtWIyxbPsGSxchw431aqX6T4pVoU8NkxM,2295
rdworks/predefined/Kazius2005/Kazius2005.xml,sha256=Bb0oi2imNc4nI5WHUTvvt2V8LUXLW4qQuHp4TNsMUlY,4400
rdworks/predefined/Kazius2005/makexml.py,sha256=WK1kCE9hkrXvagx64aG9wGU1YKgDCC_U8LE0b-2qHhg,3232
rdworks/predefined/ionized/simple_smarts_pattern.csv,sha256=dW2x0WXmyKsLBrENAUPcrMfT7eYJgYX7rE6ddk7JuuI,3373
rdworks/predefined/ionized/smarts_pattern.csv,sha256=Qn9eb9QKZ5To9dwf4F4B7wE4zZxwB5LTuMoOz_qqEPY,6804
rdworks/predefined/misc/makexml.py,sha256=T9c6ssKYdDzMkkcaCjEUe59nVPJfwJEoHm6RhkCeZic,3496
rdworks/predefined/misc/reactive-part-2.xml,sha256=0vNTMwWrrQmxBpbgbyRHx8sVs83cqn7xsfr5qqrelRA,3676
rdworks/predefined/misc/reactive-part-3.xml,sha256=LgWHSEbRTVmgBoIO45xbTo1xQJs0Xu51j3JnIapRYo4,3094
rdworks/predefined/misc/reactive.xml,sha256=syedoQ6VYUfRLnxy99ObuDniJ_a_WhrWAJbTKFfJ6VY,11248
rdworks/predefined/tautomer/smirks_transform_all.txt,sha256=-HnWMZ46yTIJ3VruAx9QtOKmriKoF5pf2h5z42Inxa8,16360
rdworks/xtb/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
rdworks/xtb/wrapper.py,sha256=YpZY8SJ9Lrp3I3_GAVawSb_4_Zc8hcJtF5l7-I-Wbys,22048
rdworks-0.70.1.dist-info/licenses/LICENSE,sha256=UOkJSBqYyQUvtCp7a-vdCANeEcLE2dnTie_eB1By5SY,1074
rdworks-0.70.1.dist-info/METADATA,sha256=tqta8I9utsDOCQUSs2itYT-v7JFS9xPfB8TwNhllbn4,1900
rdworks-0.70.1.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
rdworks-0.70.1.dist-info/top_level.txt,sha256=05C98HbvBK2axUBogC_hAT_CdpOeQYGnQ6vRAgawr8s,8
rdworks-0.70.1.dist-info/RECORD,,
