pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.0	OCHEM	1	0	Cc1ccc2[nH+]cn(C)c2c1	Cc1ccc2ncn(C)c2c1	mol21430	Cc1ccc2ncn(C)c2c1
5.7	OCHEM	1	0	Cc1ccc2[nH+]cn(C)c2c1	Cc1ccc2ncn(C)c2c1	mol21430	Cc1ccc2ncn(C)c2c1
5.73	AttenGpKa training set	1	0	Cc1ccc2[nH+]cn(C)c2c1	Cc1ccc2ncn(C)c2c1	mol21430	Cc1ccc2ncn(C)c2c1