pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	Novartis	1	0	CCc1ccc(-c2cnc(C)nc2[NH2+]C2CCCC2)cc1,CCc1ccc(-c2cnc(C)[nH+]c2NC2CCCC2)cc1,CCc1ccc(-c2c[nH+]c(C)nc2NC2CCCC2)cc1	CCc1ccc(-c2cnc(C)nc2NC2CCCC2)cc1	mol2820	CCc1ccc(-c2cnc(C)nc2NC2CCCC2)cc1