pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1000003814697	QSARToolbox	1	0	O[C@H](C[NH2+]C1CCCCC1)CON=C(C1CC1)C1CC1	O[C@H](CNC1CCCCC1)CON=C(C1CC1)C1CC1	mol38080	OC(CNC1CCCCC1)CON=C(C1CC1)C1CC1