pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	QSARToolbox	1	0	O[C@@H](C[NH2+]C1CCCC1)CON=C(C1CC1)C1CC1	O[C@@H](CNC1CCCC1)CON=C(C1CC1)C1CC1	mol38416	OC(CNC1CCCC1)CON=C(C1CC1)C1CC1