pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	Baltruschat ChEMBL	1	0	Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)cc3)[nH+]2)s1,Cc1nc(C)c(-c2cc[nH+]c(Nc3ccc(N(C)C)cc3)n2)s1,Cc1nc(C)c(-c2ccnc([NH2+]c3ccc(N(C)C)cc3)n2)s1,Cc1nc(C)c(-c2ccnc(Nc3ccc([NH+](C)C)cc3)n2)s1,Cc1[nH+]c(C)c(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)s1	Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)s1	mol16135	Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)s1