pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.12	IUPAC digitized pKa	1	0	Cc1cccc2c[nH+]cnc12,Cc1cccc2cnc[nH+]c12	Cc1cccc2cncnc12	mol4644	Cc1cccc2cncnc12
3.1800000667572	QSARToolbox	1	0	Cc1cccc2c[nH+]cnc12,Cc1cccc2cnc[nH+]c12	Cc1cccc2cncnc12	mol4644	Cc1cccc2cncnc12
3.2	AttenGpKa training set	1	0	Cc1cccc2c[nH+]cnc12,Cc1cccc2cnc[nH+]c12	Cc1cccc2cncnc12	mol4644	Cc1cccc2cncnc12