pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.56	IUPAC digitized pKa	1	0	CCNc1ccnc(O)[nH+]1,CCNc1cc[nH+]c(O)n1,CC[NH2+]c1ccnc(O)n1	CCNc1ccnc(O)n1	mol4187	CCNc1ccnc(O)n1
4.58	Datawarrior	1	0	CCNc1ccnc(O)[nH+]1,CCNc1cc[nH+]c(O)n1,CC[NH2+]c1ccnc(O)n1	CCNc1ccnc(O)n1	mol4187	CCNc1ccnc(O)n1
4.5799999	OCHEM	1	0	CCNc1ccnc(O)[nH+]1,CCNc1cc[nH+]c(O)n1,CC[NH2+]c1ccnc(O)n1	CCNc1ccnc(O)n1	mol4187	CCNc1ccnc(O)n1