pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.27	IUPAC digitized pKa	1	0	CCc1nc([NH3+])nc(N)c1Sc1ccc(Cl)cc1,CCc1nc(N)[nH+]c(N)c1Sc1ccc(Cl)cc1,CCc1[nH+]c(N)nc(N)c1Sc1ccc(Cl)cc1,CCc1nc(N)nc([NH3+])c1Sc1ccc(Cl)cc1	CCc1nc(N)nc(N)c1Sc1ccc(Cl)cc1	mol7273	CCc1nc(N)nc(N)c1Sc1ccc(Cl)cc1
6.26999998092651	QSARToolbox	1	0	CCc1nc([NH3+])nc(N)c1Sc1ccc(Cl)cc1,CCc1nc(N)[nH+]c(N)c1Sc1ccc(Cl)cc1,CCc1[nH+]c(N)nc(N)c1Sc1ccc(Cl)cc1,CCc1nc(N)nc([NH3+])c1Sc1ccc(Cl)cc1	CCc1nc(N)nc(N)c1Sc1ccc(Cl)cc1	mol7273	CCc1nc(N)nc(N)c1Sc1ccc(Cl)cc1