pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	Baltruschat ChEMBL	1	0	c1ccc([C@@H]([C@H](c2ccccc2)[NH+]2CCCC2)N2CCCC2)cc1	c1ccc([C@@H]([C@H](c2ccccc2)N2CCCC2)N2CCCC2)cc1	mol16671	c1ccc([C@@H]([C@H](c2ccccc2)N2CCCC2)N2CCCC2)cc1