Index of /data/main/r/rdkit/202009.4-1/Code/GraphMol/FileParsers/test_data

• Parent Directory
• 1CRN.pdb
• 1kv1.maegz
• 1ps3_zn.pdb
• 2FVD.pdb
• 2NW4.pdb
• 2c92_hypervalentH.pdb
• 2dej_APW.pdb
• 2vnf_bindedHOH.pdb
• 4BNA.pdb
• 4TNA.pdb
• 3505.mol2
• AtomProps1.mol
• AtomProps2.mol
• BlankPropLines.sdf
• CH.mol
• CH.v3k.mol
• CH2.mol
• CH3.mol
• Canion.mol2
• ChainBondQuery.mol
• ChiralityAndBondDir1a.mol
• ChiralityAndBondDir1b.mol
• ChiralityAndBondDir2a.mol
• ChiralityAndBondDir2b.mol
• CrBz.mol
• CrBz2.mol
• D_in_CTAB.mol
• EZ_mol2_issue114.mol2
• FeCO5.mol
• Github164.mol
• Github611.mol
• H3BNH3.mol
• Issue142b.mol
• Issue142d.mol
• Issue180.mol
• Issue226.sdf
• Issue264-1.mol
• Issue264-2.mol
• Issue269.mol
• Issue381.sdf
• Issue399a.mol
• Issue1965035.mol
• Issue3009836.1.mol
• Issue3009836.2.mol
• Issue3009836.3.mol
• Issue3228150.full.sdf
• Issue3228150.sdf
• Issue3374639.1.mol
• Issue3374639.2.mol
• Issue3374639.full.mol
• Issue3375647.1.mol
• Issue3375647.2.mol
• Issue3375684.1.mol
• Issue3375684.2.mol
• Issue3392107.1.mol
• Issue3399798.2.mol2
• Issue3399798.mol2
• Issue3432136_1.mol
• Issue3432136_1.v3k.mol
• Issue3432136_2.mol
• Issue3432136_2.v3k.mol
• Issue3477283.mol
• Issue3482695.sdf
• Issue3514824.2.mol
• Issue3514824.mol
• Issue3525000.sdf
• Issue3525000b.sdf
• Issue3525673.sdf
• Issue3525799.mol
• MolFileChgBug.mol
• NCI_aids_few.mae
• NCI_aids_few.maegz
• NCI_aids_few.sdf
• NCI_aids_few.sdf.gz
• Na.mol
• Noxide.mol2
• O2.sdf
• RingBondQuery.mol
• SkipLines.sdf
• Sulfonate.mol2
• T_in_CTAB.mol
• acd_few.tdt
• badSubstPyridine.mol2
• bad_ppty.mae
• badringstereochem.mol
• badringstereochem2.mol
• badringstereochem3.mol
• benzene.mol2
• bond-query.mol
• bond-query2.mol
• bond-query3.mol
• bond-query4.mol
• bond-query5.mol
• bond-query6.mol
• bondorder0.mol
• bondorder9.mol
• cdk2_stereo.csv
• chargedAmidine.mol2
• chargedAmidineEC.mol2
• chargedAmidineRWH.mol2
• chebi_15469.v3k.mol
• chebi_57262.v3k.2.mol
• chebi_57262.v3k.mol
• chiral1.mol
• chiral1a.mol
• chiral2.mol
• chiral2a.mol
• chiral3.mol
• chiral3a.mol
• chiral4.mol
• chiral4a.mol
• chiral5.mol
• chiral_3h.mol
• chiral_flag.mol
• chiral_phosphorous.1.mol
• chiral_phosphorous.2.mol
• chiral_phosphorous.3.mol
• chiral_phosphorous.4.mol
• cistrans.1.mol
• cistrans.1a.mol
• cistrans.2.mol
• cistrans.2a.mol
• cistrans.3.mol
• cmpd1.tpl
• cmpd2.tpl
• colchicine.mol.png
• colchicine.mrv.png
• colchicine.no_metadata.png
• colchicine.png
• combined.mol
• conflicting-list-query.mol
• dative_bonds_one.mol
• dative_bonds_two.mol
• dbtranslateCharged.mol2
• dbtranslateUncharged.mol2
• dbtranslateUnchargedRing.mol2
• earlyEOF.sdf
• empty.sdf
• empty.smi
• empty2.sdf
• esters.prop_name_trunc.sdf
• esters.sdf
• esters_end.sdf
• fewSmi.2.csv
• fewSmi.csv
• first_200.tpsa.csv
• fusedRing.mol2
• github82.1.mol
• github88.v3k.mol
• github88.v3k.sdf
• github186.mol
• github187.2.mol
• github187.mol
• github187.v3k.mol
• github188.mol
• github188_2.mol
• github189.mol
• github191.1.mol
• github191.2.mol
• github192.mol
• github196.mol
• github210.mol
• github271.mol
• github360.mol
• github438_1.mol2
• github438_2.mol2
• github741.mol
• github741.v3k.mol
• github1023.pdb
• github1029.1.pdb
• github1029.1jld.pdb
• github1029.1jld_chaina.pdb
• github1034.1.mol
• github1034.2.mol
• github1049.1.mol
• github1049.2.mol
• github1251.mol
• github1340.1jld_snip.pdb
• github2000.2.sdf
• github2000.sdf
• github2040_1.mol
• github2225_1.mol
• github2225_2.mol
• github2229_1.mol
• github2285.sdf
• highlySymmetricGuanidine.mol2
• issue123.mol
• issue142a.mol
• issue145.mol
• issue148.mol
• largemol.mol
• list-query-long.mol
• list-query.mol
• lists_plus_values.mol
• lonePairMol.mol2
• manycharges.mol
• missingCR.sdf
• mol1.mol
• mol_noatoms.mol2
• mol_nomol.mol2
• mrv-sma-bad.mol
• mrv-sma.mol
• multiple_mols.png
• not-list-query.mol
• outNCI_arom.sdf
• parity.nitrogen.mol
• parity.simple1.mol
• parity.simple2.mol
• parity.simpleH1.mol
• parity.simpleH2.mol
• parity.twoHs.mol
• props_test.mae
• pyrazole_pyridine.mol2
• pyridiniumPhenyl.mol2
• query_A.mol
• query_A.v3k.mol
• query_Q.mol
• query_Q.v3k.mol
• query_star.mol
• radical.mol
• rgroups1.mol
• rgroups2.mol
• rgroups3.mol
• ringcount_0.mol
• ringcount_2.mol
• ringcount_3.mol
• ringcount_4.mol
• ringcount_star.mol
• ringcount_star2.mol
• ringcount_star3.mol
• rxn1.mol
• s58_rcsb.mol
• sdErrors1.sdf
• sdErrors2.sdf
• sdErrors3.sdf
• sdErrors4.sdf
• sgroup_ap_bug.mol
• simple_e.mol
• simple_either.mol
• simple_z.mol
• stereo3d_1.mol
• stereo3d_2.mol
• stereo3d_cis.mol
• stereo3d_conflict.mol
• stereo3d_dblunknown.mol
• stereo3d_trans.mol
• stereo3d_unknown.mol
• stereochem.mae
• strictLax1.sdf
• strictLax2.sdf
• subst1.mol
• subst2.mol
• subst3.mol
• subst4.mol
• sulfonAmide.mol2
• symmetricGuanidine.mol2
• three_coordinate_chirality.1.mol
• three_coordinate_chirality.2.mol
• three_coordinate_chirality.3.mol
• three_coordinate_chirality.4.mol
• three_coordinate_chirality.5.mol
• three_coordinate_chirality.6.mol
• triazine.mol
• two_centers_and.mol
• two_centers_or.mol
• unsanitary.mol
• unsanitary2.mol
• unsanitized_stereo.mol
• unsaturation.mol
• v3k.1.mol
• v3k.2.mol
• v3k.3.mol
• v3k.4a.mol
• v3k.4b.mol
• v3k.5a.mol
• v3k.5b.mol
• v3k.6a.mol
• v3k.6b.mol
• v3k.crash1.mol
• v3k.rbc.mol
• wedged_single_to_double_bond.mol
• withHs.sdf