pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.07	Datawarrior	1	0	c1ccc(-n2ccc[nH+]2)nc1,c1ccc(-n2cccn2)[nH+]c1	c1ccc(-n2cccn2)nc1	mol14034	c1ccc(-n2cccn2)nc1
1.0700001	OCHEM	1	0	c1ccc(-n2ccc[nH+]2)nc1,c1ccc(-n2cccn2)[nH+]c1	c1ccc(-n2cccn2)nc1	mol14034	c1ccc(-n2cccn2)nc1
-4.8	Datawarrior	2	1	c1ccc(-n2ccc[nH+]2)[nH+]c1	c1ccc(-n2ccc[nH+]2)nc1,c1ccc(-n2cccn2)[nH+]c1	mol14034	c1ccc(-n2cccn2)nc1