pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.95	IUPAC digitized pKa	1	0	Fc1cccc2[nH+]cccc12	Fc1cccc2ncccc12	mol4417	Fc1cccc2ncccc12
3.96	IUPAC digitized pKa	1	0	Fc1cccc2[nH+]cccc12	Fc1cccc2ncccc12	mol4417	Fc1cccc2ncccc12
3.955	OCHEM	1	0	Fc1cccc2[nH+]cccc12	Fc1cccc2ncccc12	mol4417	Fc1cccc2ncccc12
3.68	Baltruschat ChEMBL	1	0	Fc1cccc2[nH+]cccc12	Fc1cccc2ncccc12	mol4417	Fc1cccc2ncccc12
3.95000004768372	QSARToolbox	1	0	Fc1cccc2[nH+]cccc12	Fc1cccc2ncccc12	mol4417	Fc1cccc2ncccc12
3.96000003814697	QSARToolbox	1	0	Fc1cccc2[nH+]cccc12	Fc1cccc2ncccc12	mol4417	Fc1cccc2ncccc12
3.78	AttenGpKa training set	1	0	Fc1cccc2[nH+]cccc12	Fc1cccc2ncccc12	mol4417	Fc1cccc2ncccc12