Index of /data/main/r/rdkit/202503.1-4/Code/GraphMol/SmilesParse/test_data

• Parent Directory
• AtropCanon1.cxsmi
• AtropCanon1.cxsmi.arom_expected.cxsmi
• AtropCanon1.cxsmi.kekule_expected.cxsmi
• AtropCanon2.cxsmi
• AtropCanon2.cxsmi.arom_expected.cxsmi
• AtropCanon2.cxsmi.kekule_expected.cxsmi
• AtropCanon3.cxsmi
• AtropCanon3.cxsmi.arom_expected.cxsmi
• AtropCanon3.cxsmi.kekule_expected.cxsmi
• AtropManyChirals.cxsmi
• AtropManyChirals.cxsmi.expected.cxsmi
• AtropManyChirals.cxsmi.expected.mrv
• AtropManyChirals.cxsmi.expected.sdf
• AtropManyChirals.cxsmi.expected2.cxsmi
• AtropManyChirals.cxsmi.expected3.cxsmi
• AtropManyChiralsEnhanced.cxsmi
• AtropManyChiralsEnhanced.cxsmi.expected.cxsmi
• AtropManyChiralsEnhanced.cxsmi.expected.mrv
• AtropManyChiralsEnhanced.cxsmi.expected.sdf
• AtropManyChiralsEnhanced.cxsmi.expected2.cxsmi
• AtropManyChiralsEnhanced.cxsmi.expected3.cxsmi
• AtropManyChiralsEnhanced2.cxsmi
• AtropManyChiralsEnhanced2.cxsmi.expected.cxsmi
• AtropManyChiralsEnhanced2.cxsmi.expected.mrv
• AtropManyChiralsEnhanced2.cxsmi.expected.sdf
• AtropManyChiralsEnhanced2.cxsmi.expected2.cxsmi
• AtropManyChiralsEnhanced2.cxsmi.expected3.cxsmi
• AtropManyChiralsEnhanced3.cxsmi
• AtropManyChiralsEnhanced3.cxsmi.expected.cxsmi
• AtropManyChiralsEnhanced3.cxsmi.expected.mrv
• AtropManyChiralsEnhanced3.cxsmi.expected.sdf
• AtropManyChiralsEnhanced3.cxsmi.expected2.cxsmi
• AtropManyChiralsEnhanced3.cxsmi.expected3.cxsmi
• AtropManyChiralsEnhanced4.cxsmi
• AtropManyChiralsEnhanced4.cxsmi.expected.cxsmi
• AtropManyChiralsEnhanced4.cxsmi.expected.mrv
• AtropManyChiralsEnhanced4.cxsmi.expected.sdf
• AtropManyChiralsEnhanced4.cxsmi.expected2.cxsmi
• AtropManyChiralsEnhanced4.cxsmi.expected3.cxsmi
• BMS-986142_3d.cxsmi
• BMS-986142_3d.cxsmi.expected.cxsmi
• BMS-986142_3d.cxsmi.expected.mrv
• BMS-986142_3d.cxsmi.expected.sdf
• BMS-986142_3d.cxsmi.expected2.cxsmi
• BMS-986142_3d.cxsmi.expected3.cxsmi
• BMS-986142_3d.cxsmi.expected3D.cxsmi
• BMS-986142_3d.cxsmi.expected3D2.cxsmi
• BMS-986142_3d_chiral.cxsmi
• BMS-986142_3d_chiral.cxsmi.expected.cxsmi
• BMS-986142_3d_chiral.cxsmi.expected.mrv
• BMS-986142_3d_chiral.cxsmi.expected.sdf
• BMS-986142_3d_chiral.cxsmi.expected2.cxsmi
• BMS-986142_3d_chiral.cxsmi.expected3.cxsmi
• BMS-986142_3d_chiral.cxsmi.expected3D.cxsmi
• BMS-986142_3d_chiral.cxsmi.expected3D2.cxsmi
• BMS-986142_atrop1.cxsmi
• BMS-986142_atrop1.cxsmi.expected.cxsmi
• BMS-986142_atrop1.cxsmi.expected.mrv
• BMS-986142_atrop1.cxsmi.expected.sdf
• BMS-986142_atrop1.cxsmi.expected2.cxsmi
• BMS-986142_atrop1.cxsmi.expected3.cxsmi
• BMS-986142_atrop2.cxsmi
• BMS-986142_atrop2.cxsmi.expected.cxsmi
• BMS-986142_atrop2.cxsmi.expected.mrv
• BMS-986142_atrop2.cxsmi.expected.sdf
• BMS-986142_atrop2.cxsmi.expected2.cxsmi
• BMS-986142_atrop2.cxsmi.expected3.cxsmi
• BMS-986142_atrop3.cxsmi
• BMS-986142_atrop3.cxsmi.expected.cxsmi
• BMS-986142_atrop3.cxsmi.expected.mrv
• BMS-986142_atrop3.cxsmi.expected.sdf
• BMS-986142_atrop3.cxsmi.expected2.cxsmi
• BMS-986142_atrop3.cxsmi.expected3.cxsmi
• BMS-986142_atrop4.cxsmi
• BMS-986142_atrop4.cxsmi.expected.cxsmi
• BMS-986142_atrop4.cxsmi.expected.mrv
• BMS-986142_atrop4.cxsmi.expected.sdf
• BMS-986142_atrop4.cxsmi.expected2.cxsmi
• BMS-986142_atrop4.cxsmi.expected3.cxsmi
• BMS-986142_atrop5.cxsmi
• BMS-986142_atrop5.cxsmi.expected.cxsmi
• BMS-986142_atrop5.cxsmi.expected.mrv
• BMS-986142_atrop5.cxsmi.expected.sdf
• BMS-986142_atrop5.cxsmi.expected2.cxsmi
• BMS-986142_atrop5.cxsmi.expected3.cxsmi
• BMS-986142_atrop6.cxsmi
• BMS-986142_atrop6.cxsmi.expected.cxsmi
• BMS-986142_atrop6.cxsmi.expected.mrv
• BMS-986142_atrop6.cxsmi.expected.sdf
• BMS-986142_atrop6.cxsmi.expected2.cxsmi
• BMS-986142_atrop6.cxsmi.expected3.cxsmi
• BMS-986142_atropBad1.cxsmi
• BMS-986142_atropBad1.cxsmi.expected.cxsmi
• BMS-986142_atropBad1.cxsmi.expected.mrv
• BMS-986142_atropBad1.cxsmi.expected.sdf
• BMS-986142_atropBad1.cxsmi.expected2.cxsmi
• BMS-986142_atropBad1.cxsmi.expected3.cxsmi
• BMS-986142_atropBad2.cxsmi
• BMS-986142_atropBad2.cxsmi.expected.cxsmi
• BMS-986142_atropBad2.cxsmi.expected.mrv
• BMS-986142_atropBad2.cxsmi.expected.sdf
• BMS-986142_atropBad2.cxsmi.expected2.cxsmi
• BMS-986142_atropBad2.cxsmi.expected3.cxsmi
• ChiralSpiro.sdf
• ChiralSpiro2.sdf
• Cubane.cxsmi
• Cubane.cxsmi.expected3D.cxsmi
• Cubane.cxsmi.expected3D2.cxsmi
• JDQ443_3d.cxsmi
• JDQ443_3d.cxsmi.expected.cxsmi
• JDQ443_3d.cxsmi.expected.mrv
• JDQ443_3d.cxsmi.expected.sdf
• JDQ443_3d.cxsmi.expected2.cxsmi
• JDQ443_3d.cxsmi.expected3.cxsmi
• JDQ443_atrop1.cxsmi
• JDQ443_atrop1.cxsmi.expected.cxsmi
• JDQ443_atrop1.cxsmi.expected.mrv
• JDQ443_atrop1.cxsmi.expected.sdf
• JDQ443_atrop1.cxsmi.expected2.cxsmi
• JDQ443_atrop1.cxsmi.expected3.cxsmi
• JDQ443_atrop2.cxsmi
• JDQ443_atrop2.cxsmi.expected.cxsmi
• JDQ443_atrop2.cxsmi.expected.mrv
• JDQ443_atrop2.cxsmi.expected.sdf
• JDQ443_atrop2.cxsmi.expected2.cxsmi
• JDQ443_atrop2.cxsmi.expected3.cxsmi
• JDQ443_atrop3.cxsmi
• JDQ443_atrop3.cxsmi.expected.cxsmi
• JDQ443_atrop3.cxsmi.expected.mrv
• JDQ443_atrop3.cxsmi.expected.sdf
• JDQ443_atrop3.cxsmi.expected2.cxsmi
• JDQ443_atrop3.cxsmi.expected3.cxsmi
• JDQ443_atrop4.cxsmi
• JDQ443_atrop4.cxsmi.expected.cxsmi
• JDQ443_atrop4.cxsmi.expected.mrv
• JDQ443_atrop4.cxsmi.expected.sdf
• JDQ443_atrop4.cxsmi.expected2.cxsmi
• JDQ443_atrop4.cxsmi.expected3.cxsmi
• JDQ443_atropBad1.cxsmi
• JDQ443_atropBad1.cxsmi.expected.cxsmi
• JDQ443_atropBad1.cxsmi.expected.mrv
• JDQ443_atropBad1.cxsmi.expected.sdf
• JDQ443_atropBad1.cxsmi.expected2.cxsmi
• JDQ443_atropBad1.cxsmi.expected3.cxsmi
• Mrtx1719_3d.cxsmi
• Mrtx1719_3d.cxsmi.expected.cxsmi
• Mrtx1719_3d.cxsmi.expected.mrv
• Mrtx1719_3d.cxsmi.expected.sdf
• Mrtx1719_3d.cxsmi.expected2.cxsmi
• Mrtx1719_3d.cxsmi.expected3.cxsmi
• Mrtx1719_atrop1.cxsmi
• Mrtx1719_atrop1.cxsmi.expected.cxsmi
• Mrtx1719_atrop1.cxsmi.expected.mrv
• Mrtx1719_atrop1.cxsmi.expected.sdf
• Mrtx1719_atrop1.cxsmi.expected2.cxsmi
• Mrtx1719_atrop1.cxsmi.expected3.cxsmi
• Mrtx1719_atrop2.cxsmi
• Mrtx1719_atrop2.cxsmi.expected.cxsmi
• Mrtx1719_atrop2.cxsmi.expected.mrv
• Mrtx1719_atrop2.cxsmi.expected.sdf
• Mrtx1719_atrop2.cxsmi.expected2.cxsmi
• Mrtx1719_atrop2.cxsmi.expected3.cxsmi
• Mrtx1719_atrop3.cxsmi
• Mrtx1719_atrop3.cxsmi.expected.cxsmi
• Mrtx1719_atrop3.cxsmi.expected.mrv
• Mrtx1719_atrop3.cxsmi.expected.sdf
• Mrtx1719_atrop3.cxsmi.expected2.cxsmi
• Mrtx1719_atrop3.cxsmi.expected3.cxsmi
• Mrtx1719_atrop4.cxsmi
• Mrtx1719_atrop4.cxsmi.expected.cxsmi
• Mrtx1719_atrop4.cxsmi.expected.mrv
• Mrtx1719_atrop4.cxsmi.expected.sdf
• Mrtx1719_atrop4.cxsmi.expected2.cxsmi
• Mrtx1719_atrop4.cxsmi.expected3.cxsmi
• Mrtx1719_atropBad1.cxsmi
• Mrtx1719_atropBad1.cxsmi.expected.cxsmi
• Mrtx1719_atropBad1.cxsmi.expected.mrv
• Mrtx1719_atropBad1.cxsmi.expected.sdf
• Mrtx1719_atropBad1.cxsmi.expected2.cxsmi
• Mrtx1719_atropBad1.cxsmi.expected3.cxsmi
• RP-6306_3d.cxsmi
• RP-6306_3d.cxsmi.expected.cxsmi
• RP-6306_3d.cxsmi.expected.mrv
• RP-6306_3d.cxsmi.expected.sdf
• RP-6306_3d.cxsmi.expected2.cxsmi
• RP-6306_3d.cxsmi.expected3.cxsmi
• RP-6306_3d.cxsmi.expected3D.cxsmi
• RP-6306_atrop1.cxsmi
• RP-6306_atrop1.cxsmi.expected.cxsmi
• RP-6306_atrop1.cxsmi.expected.mrv
• RP-6306_atrop1.cxsmi.expected.sdf
• RP-6306_atrop1.cxsmi.expected2.cxsmi
• RP-6306_atrop1.cxsmi.expected3.cxsmi
• RP-6306_atrop2.cxsmi
• RP-6306_atrop2.cxsmi.expected.cxsmi
• RP-6306_atrop2.cxsmi.expected.mrv
• RP-6306_atrop2.cxsmi.expected.sdf
• RP-6306_atrop2.cxsmi.expected2.cxsmi
• RP-6306_atrop2.cxsmi.expected3.cxsmi
• RP-6306_atrop3.cxsmi
• RP-6306_atrop3.cxsmi.expected.cxsmi
• RP-6306_atrop3.cxsmi.expected.mrv
• RP-6306_atrop3.cxsmi.expected.sdf
• RP-6306_atrop3.cxsmi.expected2.cxsmi
• RP-6306_atrop3.cxsmi.expected3.cxsmi
• RP-6306_atrop4.cxsmi
• RP-6306_atrop4.cxsmi.expected.cxsmi
• RP-6306_atrop4.cxsmi.expected.mrv
• RP-6306_atrop4.cxsmi.expected.sdf
• RP-6306_atrop4.cxsmi.expected2.cxsmi
• RP-6306_atrop4.cxsmi.expected3.cxsmi
• RP-6306_atrop5.cxsmi
• RP-6306_atrop5.cxsmi.expected.cxsmi
• RP-6306_atrop5.cxsmi.expected.mrv
• RP-6306_atrop5.cxsmi.expected.sdf
• RP-6306_atrop5.cxsmi.expected2.cxsmi
• RP-6306_atrop5.cxsmi.expected3.cxsmi
• RP-6306_atrop6.cxsmi
• RP-6306_atrop6.cxsmi.expected.cxsmi
• RP-6306_atrop6.cxsmi.expected.mrv
• RP-6306_atrop6.cxsmi.expected.sdf
• RP-6306_atrop6.cxsmi.expected2.cxsmi
• RP-6306_atrop6.cxsmi.expected3.cxsmi
• RP-6306_atropBad1.cxsmi
• RP-6306_atropBad1.cxsmi.expected.cxsmi
• RP-6306_atropBad1.cxsmi.expected.mrv
• RP-6306_atropBad1.cxsmi.expected.sdf
• RP-6306_atropBad1.cxsmi.expected2.cxsmi
• RP-6306_atropBad1.cxsmi.expected3.cxsmi
• RP-6306_atropBad2.cxsmi
• RP-6306_atropBad2.cxsmi.expected.cxsmi
• RP-6306_atropBad2.cxsmi.expected.mrv
• RP-6306_atropBad2.cxsmi.expected.sdf
• RP-6306_atropBad2.cxsmi.expected2.cxsmi
• RP-6306_atropBad2.cxsmi.expected3.cxsmi
• ST-0023267_B.mol
• ST-0023268.mol
• ShortAtropisomer.cxsmi
• ShortAtropisomer.cxsmi.expected.cxsmi
• ShortAtropisomer.cxsmi.expected.mrv
• ShortAtropisomer.cxsmi.expected.sdf
• ShortAtropisomer.cxsmi.expected2.cxsmi
• ShortAtropisomer.cxsmi.expected3.cxsmi
• ShortAtropisomerArom.cxsmi
• ShortAtropisomerArom.cxsmi.expected.cxsmi
• ShortAtropisomerArom.cxsmi.expected.mrv
• ShortAtropisomerArom.cxsmi.expected.sdf
• ShortAtropisomerArom.cxsmi.expected2.cxsmi
• ShortAtropisomerArom.cxsmi.expected3.cxsmi
• ShortAtropisomerNoCoords.cxsmi
• ShortAtropisomerNoCoords.cxsmi.expected.cxsmi
• ShortAtropisomerNoCoords.cxsmi.expected.mrv
• ShortAtropisomerNoCoords.cxsmi.expected.sdf
• ShortAtropisomerNoCoords.cxsmi.expected2.cxsmi
• ShortAtropisomerNoCoords.cxsmi.expected3.cxsmi
• Sotorasib_3d.cxsmi
• Sotorasib_3d.cxsmi.expected.cxsmi
• Sotorasib_3d.cxsmi.expected.mrv
• Sotorasib_3d.cxsmi.expected.sdf
• Sotorasib_3d.cxsmi.expected2.cxsmi
• Sotorasib_3d.cxsmi.expected3.cxsmi
• Sotorasib_atrop1.cxsmi
• Sotorasib_atrop1.cxsmi.expected.cxsmi
• Sotorasib_atrop1.cxsmi.expected.mrv
• Sotorasib_atrop1.cxsmi.expected.sdf
• Sotorasib_atrop1.cxsmi.expected2.cxsmi
• Sotorasib_atrop1.cxsmi.expected3.cxsmi
• Sotorasib_atrop2.cxsmi
• Sotorasib_atrop2.cxsmi.expected.cxsmi
• Sotorasib_atrop2.cxsmi.expected.mrv
• Sotorasib_atrop2.cxsmi.expected.sdf
• Sotorasib_atrop2.cxsmi.expected2.cxsmi
• Sotorasib_atrop2.cxsmi.expected3.cxsmi
• Sotorasib_atrop3.cxsmi
• Sotorasib_atrop3.cxsmi.expected.cxsmi
• Sotorasib_atrop3.cxsmi.expected.mrv
• Sotorasib_atrop3.cxsmi.expected.sdf
• Sotorasib_atrop3.cxsmi.expected2.cxsmi
• Sotorasib_atrop3.cxsmi.expected3.cxsmi
• Sotorasib_atrop4.cxsmi
• Sotorasib_atrop4.cxsmi.expected.cxsmi
• Sotorasib_atrop4.cxsmi.expected.mrv
• Sotorasib_atrop4.cxsmi.expected.sdf
• Sotorasib_atrop4.cxsmi.expected2.cxsmi
• Sotorasib_atrop4.cxsmi.expected3.cxsmi
• Sotorasib_atrop5.cxsmi
• Sotorasib_atrop5.cxsmi.expected.cxsmi
• Sotorasib_atrop5.cxsmi.expected.mrv
• Sotorasib_atrop5.cxsmi.expected.sdf
• Sotorasib_atrop5.cxsmi.expected2.cxsmi
• Sotorasib_atrop5.cxsmi.expected3.cxsmi
• Sotorasib_atropBad1.cxsmi
• Sotorasib_atropBad1.cxsmi.expected.cxsmi
• Sotorasib_atropBad1.cxsmi.expected.mrv
• Sotorasib_atropBad1.cxsmi.expected.sdf
• Sotorasib_atropBad1.cxsmi.expected2.cxsmi
• Sotorasib_atropBad1.cxsmi.expected3.cxsmi
• Sotorasib_atropBad2.cxsmi
• Sotorasib_atropBad2.cxsmi.expected.cxsmi
• Sotorasib_atropBad2.cxsmi.expected.mrv
• Sotorasib_atropBad2.cxsmi.expected.sdf
• Sotorasib_atropBad2.cxsmi.expected2.cxsmi
• Sotorasib_atropBad2.cxsmi.expected3.cxsmi
• TestSmilesUniq.sdf
• ZM374979_atrop1.cxsmi
• ZM374979_atrop1.cxsmi.expected.cxsmi
• ZM374979_atrop1.cxsmi.expected.mrv
• ZM374979_atrop1.cxsmi.expected.sdf
• ZM374979_atrop1.cxsmi.expected2.cxsmi
• ZM374979_atrop1.cxsmi.expected3.cxsmi
• ZM374979_atrop2.cxsmi
• ZM374979_atrop2.cxsmi.expected.cxsmi
• ZM374979_atrop2.cxsmi.expected.mrv
• ZM374979_atrop2.cxsmi.expected.sdf
• ZM374979_atrop2.cxsmi.expected2.cxsmi
• ZM374979_atrop2.cxsmi.expected3.cxsmi
• ZM374979_atrop3.cxsmi
• ZM374979_atrop3.cxsmi.expected.cxsmi
• ZM374979_atrop3.cxsmi.expected.mrv
• ZM374979_atrop3.cxsmi.expected.sdf
• ZM374979_atrop3.cxsmi.expected2.cxsmi
• ZM374979_atrop3.cxsmi.expected3.cxsmi
• ZM374979_atrop4.cxsmi
• ZM374979_atrop4.cxsmi.expected.cxsmi
• ZM374979_atrop4.cxsmi.expected.mrv
• ZM374979_atrop4.cxsmi.expected.sdf
• ZM374979_atrop4.cxsmi.expected2.cxsmi
• ZM374979_atrop4.cxsmi.expected3.cxsmi
• ZM374979_atropBad1.cxsmi
• ZM374979_atropBad1.cxsmi.expected.cxsmi
• ZM374979_atropBad1.cxsmi.expected.mrv
• ZM374979_atropBad1.cxsmi.expected.sdf
• ZM374979_atropBad1.cxsmi.expected2.cxsmi
• ZM374979_atropBad1.cxsmi.expected3.cxsmi
• inorganic_stereo.smi