pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.11	IUPAC digitized pKa	1	0	Cc1c[nH+]nc(C)c1,Cc1cn[nH+]c(C)c1	Cc1cnnc(C)c1	mol4028	Cc1cnnc(C)c1
4.1100001	OCHEM	1	0	Cc1c[nH+]nc(C)c1,Cc1cn[nH+]c(C)c1	Cc1cnnc(C)c1	mol4028	Cc1cnnc(C)c1
4.1100001335144	QSARToolbox	1	0	Cc1c[nH+]nc(C)c1,Cc1cn[nH+]c(C)c1	Cc1cnnc(C)c1	mol4028	Cc1cnnc(C)c1