pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.66	Datawarrior	1	0	Cc1ccc(C(C)C)c(OCC[NH+](C)C)c1	Cc1ccc(C(C)C)c(OCCN(C)C)c1	mol14467	Cc1ccc(C(C)C)c(OCCN(C)C)c1
8.6599998	OCHEM	1	0	Cc1ccc(C(C)C)c(OCC[NH+](C)C)c1	Cc1ccc(C(C)C)c(OCCN(C)C)c1	mol14467	Cc1ccc(C(C)C)c(OCCN(C)C)c1
8.65999984741211	QSARToolbox	1	0	Cc1ccc(C(C)C)c(OCC[NH+](C)C)c1	Cc1ccc(C(C)C)c(OCCN(C)C)c1	mol14467	Cc1ccc(C(C)C)c(OCCN(C)C)c1