pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.73	IUPAC digitized pKa	1	0	COc1n[nH+]cc2ccccc12,COc1[nH+]ncc2ccccc12	COc1nncc2ccccc12	mol4594	COc1nncc2ccccc12
3.77	AttenGpKa training set	1	0	COc1n[nH+]cc2ccccc12,COc1[nH+]ncc2ccccc12	COc1nncc2ccccc12	mol4594	COc1nncc2ccccc12