pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Baltruschat ChEMBL	1	0	c1cncc([C@H]2CCC[NH2+]2)c1	c1cncc([C@H]2CCCN2)c1	mol20054	c1cncc(C2CCCN2)c1
8.76	Baltruschat ChEMBL	1	0	c1cncc([C@H]2CCC[NH2+]2)c1	c1cncc([C@H]2CCCN2)c1	mol20054	c1cncc(C2CCCN2)c1