pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.49	IUPAC digitized pKa	1	0	Cc1ccc2cnc[nH+]c2c1,Cc1ccc2c[nH+]cnc2c1	Cc1ccc2cncnc2c1	mol4643	Cc1ccc2cncnc2c1
3.15000009536743	QSARToolbox	1	0	Cc1ccc2cnc[nH+]c2c1,Cc1ccc2c[nH+]cnc2c1	Cc1ccc2cncnc2c1	mol4643	Cc1ccc2cncnc2c1
3.17	AttenGpKa training set	1	0	Cc1ccc2cnc[nH+]c2c1,Cc1ccc2c[nH+]cnc2c1	Cc1ccc2cncnc2c1	mol4643	Cc1ccc2cncnc2c1