pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	SAMPL6	1	0	[NH3+]c1ccc2c(c1)ncn2-c1ccccc1,Nc1ccc2c(c1)[nH+]cn2-c1ccccc1	Nc1ccc2c(c1)ncn2-c1ccccc1	SM14	Nc1ccc2c(c1)ncn2-c1ccccc1
2.58	SAMPL6	2	1	[NH3+]c1ccc2c(c1)[nH+]cn2-c1ccccc1	[NH3+]c1ccc2c(c1)ncn2-c1ccccc1,Nc1ccc2c(c1)[nH+]cn2-c1ccccc1	SM14	Nc1ccc2c(c1)ncn2-c1ccccc1