pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.4	Datawarrior	0	-1	Cc1cnc(O)nc1N	Cc1cnc([O-])nc1N	mol4089	Cc1cnc(O)nc1N
4.69	Datawarrior	1	0	Cc1cnc(O)[nH+]c1N,Cc1c[nH+]c(O)nc1N,Cc1cnc(O)nc1[NH3+]	Cc1cnc(O)nc1N	mol4089	Cc1cnc(O)nc1N
4.6	AttenGpKa training set	1	0	Cc1cnc(O)[nH+]c1N,Cc1c[nH+]c(O)nc1N,Cc1cnc(O)nc1[NH3+]	Cc1cnc(O)nc1N	mol4089	Cc1cnc(O)nc1N