pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.05	IUPAC digitized pKa	1	0	Cc1cccc2ccc[nH+]c12	Cc1cccc2cccnc12	mol4455	Cc1cccc2cccnc12
4.6	IUPAC digitized pKa	1	0	Cc1cccc2ccc[nH+]c12	Cc1cccc2cccnc12	mol4455	Cc1cccc2cccnc12
4.91	IUPAC digitized pKa	1	0	Cc1cccc2ccc[nH+]c12	Cc1cccc2cccnc12	mol4455	Cc1cccc2cccnc12
4.87	Datawarrior	1	0	Cc1cccc2ccc[nH+]c12	Cc1cccc2cccnc12	mol4455	Cc1cccc2cccnc12
4.8699999	OCHEM	1	0	Cc1cccc2ccc[nH+]c12	Cc1cccc2cccnc12	mol4455	Cc1cccc2cccnc12
4.98	OCHEM	1	0	Cc1cccc2ccc[nH+]c12	Cc1cccc2cccnc12	mol4455	Cc1cccc2cccnc12
4.7	AttenGpKa training set	1	0	Cc1cccc2ccc[nH+]c12	Cc1cccc2cccnc12	mol4455	Cc1cccc2cccnc12