pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.66	Datawarrior	1	0	c1c[nH+]c2c(c1)ccc1c3c(cnc12)CCCC3,c1cnc2c(c1)ccc1c3c(c[nH+]c12)CCCC3	c1cnc2c(c1)ccc1c3c(cnc12)CCCC3	mol14886	c1cnc2c(c1)ccc1c3c(cnc12)CCCC3
5.6599998	OCHEM	1	0	c1c[nH+]c2c(c1)ccc1c3c(cnc12)CCCC3,c1cnc2c(c1)ccc1c3c(c[nH+]c12)CCCC3	c1cnc2c(c1)ccc1c3c(cnc12)CCCC3	mol14886	c1cnc2c(c1)ccc1c3c(cnc12)CCCC3
5.65999984741211	QSARToolbox	1	0	c1c[nH+]c2c(c1)ccc1c3c(cnc12)CCCC3,c1cnc2c(c1)ccc1c3c(c[nH+]c12)CCCC3	c1cnc2c(c1)ccc1c3c(cnc12)CCCC3	mol14886	c1cnc2c(c1)ccc1c3c(cnc12)CCCC3