pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	QSARToolbox	1	0	O[C@H](C[NH2+]CCc1ccccc1)CON=C(C1CC1)C1CC1	O[C@H](CNCCc1ccccc1)CON=C(C1CC1)C1CC1	mol38126	OC(CNCCc1ccccc1)CON=C(C1CC1)C1CC1