pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.78	Datawarrior	1	0	c1c[nH+]c2c(c1)ccc1c3c(cnc12)CCC3,c1cnc2c(c1)ccc1c3c(c[nH+]c12)CCC3	c1cnc2c(c1)ccc1c3c(cnc12)CCC3	mol15131	c1cnc2c(c1)ccc1c3c(cnc12)CCC3
5.7800002	OCHEM	1	0	c1c[nH+]c2c(c1)ccc1c3c(cnc12)CCC3,c1cnc2c(c1)ccc1c3c(c[nH+]c12)CCC3	c1cnc2c(c1)ccc1c3c(cnc12)CCC3	mol15131	c1cnc2c(c1)ccc1c3c(cnc12)CCC3
5.78000020980835	QSARToolbox	1	0	c1c[nH+]c2c(c1)ccc1c3c(cnc12)CCC3,c1cnc2c(c1)ccc1c3c(c[nH+]c12)CCC3	c1cnc2c(c1)ccc1c3c(cnc12)CCC3	mol15131	c1cnc2c(c1)ccc1c3c(cnc12)CCC3