pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	Baltruschat ChEMBL	1	0	c1cncc(-c2ccc(-c3nnc([C@H]4C[NH+]5CCC4CC5)o3)o2)c1	c1cncc(-c2ccc(-c3nnc([C@H]4CN5CCC4CC5)o3)o2)c1	mol21422	c1cncc(-c2ccc(-c3nnc(C4CN5CCC4CC5)o3)o2)c1