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data/rdkit-202003.4/Code/GraphMol/Descriptors/testRDFcustom.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/Descriptors/testSMWHIM.txt: CSV text data/rdkit-202003.4/Code/GraphMol/Descriptors/testWHIM.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/.ipynb_checkpoints/Untitled-checkpoint.ipynb: JSON data data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/1mol.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/CM1.out: CSV text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/EGFR_first10_10confs.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/GETAWAY.new.out: ASCII text, with very long lines data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/GETAWAY2.out: ASCII text, with very long lines, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/GETAWAYcustom.out: CSV text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/MORSE.out: ASCII text, with very long lines, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/MORSEcustom.out: CSV text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/PBF_egfr.out: ASCII text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/PBF_egfr.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/PMI_egfr.out: ASCII text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/RDF.out: ASCII text, with very long lines, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/RDFcustom.out: CSV text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/Untitled.ipynb: JSON data data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/WHIM1custom.out: CSV text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/WHIMcustom.out: CSV text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/ZINC03815325.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/aid466.trunc.sdf: ASCII text 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data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/eem1.out: ASCII text, with very long lines data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/eem2.out: ASCII text, with very long lines data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/linear.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/linear_2atom.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/planar.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/planar_3atom.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/pmi.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/pmi.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/setEEM1.sdf: Certificate data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/setEEM2.sdf.gz: gzip compressed data, last modified: Mon Apr 9 09:07:11 2018, from Unix, original size modulo 2^32 57815040 data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/whim.new.out: ASCII text, with very long lines data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/whim.out: ASCII text, with very long lines, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/Descriptors/test_data/whim.out.txt: ASCII text, with very long lines, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/Embedder.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/Embedder.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/Wrap/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/Issue3238580.1.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/Issue3238580.2.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/Issue3238580.3.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/Issue3483968.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/cis_trans_cases.csv: CSV text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/combi_coords.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/constrain1.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/embedDistOpti.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/initCoords.random.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/initCoords.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/simple_torsion.dg.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/simple_torsion.etdg.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/simple_torsion.etkdg.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/simple_torsion.kdg.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/simple_torsion.macrocycle.etkdg.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/simple_torsion.macrocycle.etkdgv3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/simple_torsion.smallring.etkdgv3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/DistGeomHelpers/test_data/torsion.etkdg.v2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/Composition2N.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/DebugTrace.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/DuplicatedSeedCache.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/FMCS.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/FMCS.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/Graph.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/MatchTable.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/MaximumCommonSubgraph.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/RingMatchTableSet.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/Seed.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/Seed.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/SeedSet.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/SubstructMatchCustom.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/SubstructMatchCustom.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/SubstructureCache.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/Target.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/TargetMatch.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/Test/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/Test/testFMCS.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/Wrap/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FMCS/Wrap/testFMCS.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/FMCS/testFMCS_Unit.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/FileParserUtils.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/FileParsers.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/MaeMolSupplier.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/Mol2FileParser.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/MolFileParser.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/MolFileStereochem.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/MolFileStereochem.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/MolFileWriter.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/MolSGroupParsing.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/MolSGroupParsing.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/MolSGroupWriting.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/MolSGroupWriting.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/MolSupplier.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/MolWriters.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/PDBParser.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/PDBSupplier.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/PDBWriter.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/ProximityBonds.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/ProximityBonds.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/SDMolSupplier.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/SDWriter.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/SVGParser.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/SequenceParsers.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/SequenceParsers.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/SequenceWriters.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/SequenceWriters.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/SmilesMolSupplier.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/SmilesWriter.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/TDTMolSupplier.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/TDTWriter.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/TplFileParser.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/TplFileWriter.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/XYZFileWriter.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/catch_main.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/file_parsers_catch.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/mol.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/FileParsers/mol1.cdxml: XML 1.0 document, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_Abbreviations.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_AnyPol_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_Component_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_Copolymer_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_Copolymer_alt_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_Copolymer_blk_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_Copolymer_ran_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_Data_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_Formulation_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_Generic_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_Link_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_Mixture_02.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_Mixture_False.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_Monomer_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_MultipleGroup_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_SRU_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_SRU_02.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_crosslink_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_grf_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_mer_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/Sgroups_modification_01.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/sgroup_test_data/repeat_groups_query1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test1.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/testExecs/.cvskeep: empty data/rdkit-202003.4/Code/GraphMol/FileParsers/testExtendedStereoParsing.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/testMol2ToMol.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/testMolSupplier.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/testMolWriter.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/testPropertyLists.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/testSequence.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/testTpls.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/1CRN.pdb: Protein Data Bank data, ID Code 1CRN, 30-APR-81 data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/1kv1.maegz: gzip compressed data, from Unix, original size modulo 2^32 0 data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/1ps3_zn.pdb: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/2FVD.pdb: Protein Data Bank data, ID Code 2FVD, 30-JAN-06 data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/2NW4.pdb: Protein Data Bank data, ID Code 2NW4, 14-NOV-06 data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/2c92_hypervalentH.pdb: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/2dej_APW.pdb: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/2vnf_bindedHOH.pdb: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/3505.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/4BNA.pdb: Protein Data Bank data, ID Code 4BNA, 16-FEB-82 data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/4TNA.pdb: Protein Data Bank data, ID Code 4TNA, 12-APR-78 data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/AtomProps1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/AtomProps2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/BlankPropLines.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/CH.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/CH.v3k.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/CH2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/CH3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Canion.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/ChainBondQuery.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/ChiralityAndBondDir1a.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/ChiralityAndBondDir1b.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/ChiralityAndBondDir2a.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/ChiralityAndBondDir2b.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/CrBz.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/CrBz2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/D_in_CTAB.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/EZ_mol2_issue114.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/FeCO5.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Github164.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Github611.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/H3BNH3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue142b.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue142d.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue180.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue1965035.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue226.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue264-1.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue264-2.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue269.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3009836.1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3009836.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3009836.3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3228150.full.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3228150.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3374639.1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3374639.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3374639.full.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3375647.1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3375647.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3375684.1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3375684.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3392107.1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3399798.2.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3399798.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3432136_1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3432136_1.v3k.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3432136_2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3432136_2.v3k.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3477283.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3482695.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3514824.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3514824.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3525000.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3525000b.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3525673.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue3525799.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue381.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Issue399a.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/MolFileChgBug.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/NCI_aids_few.mae: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/NCI_aids_few.maegz: gzip compressed data, from Unix, original size modulo 2^32 0 data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/NCI_aids_few.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/NCI_aids_few.sdf.gz: gzip compressed data, was "NCI_aids_few.sdf", last modified: Sun Apr 5 05:02:01 2009, from Unix, original size modulo 2^32 35414 data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Na.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Noxide.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/RingBondQuery.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/SkipLines.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/Sulfonate.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/T_in_CTAB.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/acd_few.tdt: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/badSubstPyridine.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/bad_ppty.mae: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/badringstereochem.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/badringstereochem2.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/badringstereochem3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/benzene.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/bond-query.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/bond-query2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/bond-query3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/bond-query4.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/bond-query5.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/bond-query6.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/bondorder0.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/bondorder9.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/cdk2_stereo.csv: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chargedAmidine.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chargedAmidineEC.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chargedAmidineRWH.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chebi_15469.v3k.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chebi_57262.v3k.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chebi_57262.v3k.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral1.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral1a.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral2.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral2a.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral3.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral3a.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral4.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral4a.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral5.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral_3h.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral_flag.mol: UTF-8 Unicode (with BOM) text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral_phosphorous.1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral_phosphorous.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral_phosphorous.3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/chiral_phosphorous.4.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/cistrans.1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/cistrans.1a.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/cistrans.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/cistrans.2a.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/cistrans.3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/cmpd1.tpl: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/cmpd2.tpl: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/combined.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/conflicting-list-query.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/dative_bonds_one.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/dative_bonds_two.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/dbtranslateCharged.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/dbtranslateUncharged.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/dbtranslateUnchargedRing.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/earlyEOF.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/empty.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/empty.smi: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/empty2.sdf: empty data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/esters.prop_name_trunc.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/esters.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/esters_end.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/fewSmi.2.csv: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/fewSmi.csv: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/first_200.tpsa.csv: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/fusedRing.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github1023.pdb: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github1029.1.pdb: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github1029.1jld.pdb: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github1029.1jld_chaina.pdb: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github1034.1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github1034.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github1049.1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github1049.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github1251.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github1340.1jld_snip.pdb: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github186.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github187.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github187.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github187.v3k.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github188.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github188_2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github189.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github191.1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github191.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github192.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github196.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github2000.2.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github2000.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github2040_1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github210.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github2225_1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github2225_2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github2229_1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github2285.sdf: ASCII text, with very long lines data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github271.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github360.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github438_1.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github438_2.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github741.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github741.v3k.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github82.1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github88.v3k.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/github88.v3k.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/highlySymmetricGuanidine.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/issue123.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/issue142a.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/issue145.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/issue148.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/largemol.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/list-query-long.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/list-query.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/lists_plus_values.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/lonePairMol.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/manycharges.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/missingCR.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/mol1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/mol_noatoms.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/mol_nomol.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/mrv-sma-bad.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/mrv-sma.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/not-list-query.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/outNCI_arom.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/parity.nitrogen.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/parity.simple1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/parity.simple2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/parity.simpleH1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/parity.simpleH2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/parity.twoHs.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/props_test.mae: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/pyrazole_pyridine.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/pyridiniumPhenyl.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/query_A.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/query_Q.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/query_star.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/radical.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/rgroups1.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/rgroups2.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/rgroups3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/ringcount_0.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/ringcount_2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/ringcount_3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/ringcount_4.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/ringcount_star.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/ringcount_star2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/ringcount_star3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/rxn1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/s58_rcsb.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/sdErrors1.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/sdErrors2.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/sdErrors3.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/sdErrors4.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/sgroup_ap_bug.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/simple_e.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/simple_either.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/simple_z.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/stereo3d_1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/stereo3d_2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/stereo3d_cis.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/stereo3d_conflict.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/stereo3d_dblunknown.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/stereo3d_trans.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/stereo3d_unknown.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/stereochem.mae: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/strictLax1.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/strictLax2.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/subst1.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/subst2.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/subst3.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/subst4.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/sulfonAmide.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/symmetricGuanidine.mol2: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/three_coordinate_chirality.1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/three_coordinate_chirality.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/three_coordinate_chirality.3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/three_coordinate_chirality.4.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/three_coordinate_chirality.5.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/three_coordinate_chirality.6.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/triazine.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/two_centers_and.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/two_centers_or.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/unsanitary.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/unsanitary2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/unsanitized_stereo.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/unsaturation.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/v3k.1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/v3k.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/v3k.3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/v3k.4a.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/v3k.4b.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/v3k.5a.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/v3k.5b.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/v3k.6a.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/v3k.6b.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/v3k.crash1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/v3k.rbc.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/wedged_single_to_double_bond.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/FileParsers/test_data/withHs.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/FilterCatalog.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/FilterCatalog.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/FilterCatalogEntry.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/FilterCatalogRunner.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/FilterMatcherBase.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/FilterMatchers.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/FilterMatchers.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/Filters.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/Filters.cpp.in: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/Filters.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/README: C source, UTF-8 Unicode text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/Wrap/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.h: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/Wrap/rough_test.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/FilterCatalog/filtercatalogtest.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/pains_a.in: ASCII text data/rdkit-202003.4/Code/GraphMol/FilterCatalog/pains_b.in: ASCII text, with very long lines data/rdkit-202003.4/Code/GraphMol/FilterCatalog/pains_c.in: ASCII text, with very long lines data/rdkit-202003.4/Code/GraphMol/FilterCatalog/update_pains.py: ASCII text data/rdkit-202003.4/Code/GraphMol/FindRings.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/AtomPairGenerator.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/AtomPairGenerator.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/AtomPairs.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/AtomPairs.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/FingerprintGenerator.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/FingerprintUtil.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/FingerprintUtil.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/Fingerprints.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/Fingerprints.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/MACCS.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/MACCS.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/MHFP.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/MHFP.h: C++ source, UTF-8 Unicode text data/rdkit-202003.4/Code/GraphMol/Fingerprints/MorganFingerprints.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/MorganFingerprints.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/MorganGenerator.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/MorganGenerator.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/PatternFingerprints.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/RDKitFPGenerator.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/Wrap/AtomPairWrapper.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/Wrap/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/Wrap/MorganWrapper.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/Wrap/RDKitFPWrapper.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/Wrap/TopologicalTorsionWrapper.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/Wrap/testGenerators.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/Fingerprints/Wrap/testMHFP.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/Fingerprints/catch_tests.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/test1.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/testData/github811a.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/testData/github811b.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/testData/triangle.sdf: ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/testExecs/.cvskeep: empty data/rdkit-202003.4/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/Fingerprints/testMHFPFingerprint.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/torsionPreferences_macrocycles.in: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/torsionPreferences_smallrings.in: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/torsionPreferences_v1.in: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/torsionPreferences_v2.in: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/FFConvenience.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/test_data/Issue2378119.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/test_data/Issue2378119.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/test_data/Issue239.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/test_data/Issue242-2.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/test_data/benzene.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/test_data/bulk.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/test_data/complex1.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/test_data/cyclobutadiene.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/test_data/small1.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/test_data/small2.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/test_data/tbp.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/MMFF/test_data/toluene.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/Issue2378119.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/Issue2378119.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/Issue239.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/Issue242-2.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/Issue242.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/Issue3009337.2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/Issue3009337.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/Issue62.smi: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/benzene.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/bulk.sdf: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/complex1.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/cyclobutadiene.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/small1.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/small2.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/tbp.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/UFF/test_data/toluene.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/Wrap/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/FragCatalog/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/FragCatGenerator.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/FragCatGenerator.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/FragCatParams.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/FragCatParams.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/FragCatalogEntry.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/FragCatalogUtils.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/FragFPGenerator.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/FragFPGenerator.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/Wrap/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/Wrap/FragFPGenerator.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/Wrap/rdfragcatalog.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/Wrap/rdfragcatalog.h: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/FragCatalog/Wrap/rough_test.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/FragCatalog/Wrap/testFrags.csv: ASCII text, with 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data/rdkit-202003.4/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h: C++ source, ASCII text 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data/rdkit-202003.4/Code/GraphMol/MolStandardize/Wrap/Normalize.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp: C++ source, UTF-8 Unicode text data/rdkit-202003.4/Code/GraphMol/MolStandardize/Wrap/Validate.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/Wrap/rdMolStandardize.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/MolStandardize/catch_tests.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/test1.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/test2.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/testCharge.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/testFragment.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/testNormalize.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/testPCS.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/testTautomer.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolStandardize/testValidate.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolTransforms/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/MolTransforms/MolTransforms.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolTransforms/MolTransforms.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolTransforms/ReadMe: ASCII text data/rdkit-202003.4/Code/GraphMol/MolTransforms/Wrap/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolTransforms/Wrap/testMolTransforms.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/MolTransforms/test1.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/MolTransforms/testExecs/.cvskeep: empty data/rdkit-202003.4/Code/GraphMol/MolTransforms/test_data/1oir.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/MolTransforms/test_data/1oir_canon.mol: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/MolTransforms/test_data/3-cyclohexylpyridine.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/MolTransforms/test_data/github1262_1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/MolTransforms/test_data/github1262_2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/MolTransforms/test_data/github1262_3.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/MolTransforms/test_data/github1908_1.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/MolTransforms/test_data/github1908_2.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/MonomerInfo.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/PartialCharges/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/PartialCharges/GasteigerCharges.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/PartialCharges/GasteigerCharges.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/PartialCharges/GasteigerParams.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/PartialCharges/GasteigerParams.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/PartialCharges/Wrap/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/PartialCharges/Wrap/test_data/PP_combi_charges.pkl: ASCII text data/rdkit-202003.4/Code/GraphMol/PartialCharges/Wrap/test_data/PP_descrs_regress.2.csv: ASCII text, with very long lines data/rdkit-202003.4/Code/GraphMol/PartialCharges/Wrap/test_data/halgren.smi: ASCII text, with CRLF line terminators data/rdkit-202003.4/Code/GraphMol/PartialCharges/Wrap/test_data/halgren_out.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/PartialCharges/test1.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/PeriodicTable.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/PeriodicTable.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/QueryAtom.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/QueryAtom.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/QueryBond.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/QueryBond.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/QueryOps.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/QueryOps.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/RDKitBase.h: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/RDKitQueries.h: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/RGroupDecomposition/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/RGroupDecomposition/Wrap/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/RGroupDecomposition/Wrap/test_rgroups.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/ROMol.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ROMol.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/RWMol.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/RWMol.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ReducedGraphs/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/ReducedGraphs/ReducedGraphs.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ReducedGraphs/ReducedGraphs.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ReducedGraphs/Wrap/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/ReducedGraphs/Wrap/rdReducedGraphs.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/ReducedGraphs/Wrap/testReducedGraphs.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/ReducedGraphs/test1.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/Renumber.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Resonance.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Resonance.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/RingInfo.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/RingInfo.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Rings.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/SLNParse/CMakeLists.txt: ASCII text 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data/rdkit-202003.4/Code/GraphMol/SLNParse/sln.yy: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/SLNParse/test.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/SanitException.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ScaffoldNetwork/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/ScaffoldNetwork/Wrap/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/ScaffoldNetwork/Wrap/rdScaffoldNetwork.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/ScaffoldNetwork/Wrap/testPickleScaffoldNetwork.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py: Python script, ASCII text executable data/rdkit-202003.4/Code/GraphMol/ScaffoldNetwork/catch_main.cpp: C source, ASCII text 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data/rdkit-202003.4/Code/GraphMol/ShapeHelpers/test_data/1oir.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/ShapeHelpers/test_data/1oir_conf.mol: ASCII text data/rdkit-202003.4/Code/GraphMol/SmilesParse/CMakeLists.txt: ASCII text data/rdkit-202003.4/Code/GraphMol/SmilesParse/CXSmilesOps.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/SmilesParse/SmartsWrite.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/SmilesParse/SmartsWrite.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/SmilesParse/SmilesParse.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/SmilesParse/SmilesParse.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/SmilesParse/SmilesParseOps.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/SmilesParse/SmilesParseOps.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/SmilesParse/SmilesWrite.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/SmilesParse/SmilesWrite.h: C++ source, ASCII 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data/rdkit-202003.4/Code/GraphMol/Wrap/TDTWriter.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Wrap/Table.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Wrap/Trajectory.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Wrap/props.hpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Wrap/rdTrajectory.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/Wrap/rdchem.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Wrap/rdchem.h: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Wrap/rdmolfiles.cpp: C++ source, ASCII text data/rdkit-202003.4/Code/GraphMol/Wrap/rdmolfiles.h: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/Wrap/rdmolops.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/Wrap/rdmolops.h: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/Wrap/rdqueries.cpp: C source, ASCII text data/rdkit-202003.4/Code/GraphMol/Wrap/rough_test.py: Python script, ASCII text executable, with very 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