pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.33	Datawarrior	1	0	[NH3+]Cc1cccnc1	NCc1cccnc1	mol3615	NCc1cccnc1
8.3299999	OCHEM	1	0	[NH3+]Cc1cccnc1	NCc1cccnc1	mol3615	NCc1cccnc1
8.04	OCHEM	1	0	[NH3+]Cc1cccnc1	NCc1cccnc1	mol3615	NCc1cccnc1
8.63	AttenGpKa training set	1	0	[NH3+]Cc1cccnc1	NCc1cccnc1	mol3615	NCc1cccnc1
3.71	Datawarrior	2	1	[NH3+]Cc1ccc[nH+]c1	[NH3+]Cc1cccnc1	mol3615	NCc1cccnc1
5.96	Organic Oxygen Acids and Nitrogen Bases	2	1	[NH3+]Cc1ccc[nH+]c1	[NH3+]Cc1cccnc1	mol3615	NCc1cccnc1