pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.23	Datawarrior	1	0	O=C(CC[NH+]1CCCCC1)c1ccccc1	O=C(CCN1CCCCC1)c1ccccc1	mol14575	O=C(CCN1CCCCC1)c1ccccc1
9.2299995	OCHEM	1	0	O=C(CC[NH+]1CCCCC1)c1ccccc1	O=C(CCN1CCCCC1)c1ccccc1	mol14575	O=C(CCN1CCCCC1)c1ccccc1
9.22999954223633	QSARToolbox	1	0	O=C(CC[NH+]1CCCCC1)c1ccccc1	O=C(CCN1CCCCC1)c1ccccc1	mol14575	O=C(CCN1CCCCC1)c1ccccc1