pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.38	Datawarrior	1	0	COc1ccc([NH2+]c2ccccc2)cc1	COc1ccc(Nc2ccccc2)cc1	mol15765	COc1ccc(Nc2ccccc2)cc1
1.4	AttenGpKa training set	1	0	COc1ccc([NH2+]c2ccccc2)cc1	COc1ccc(Nc2ccccc2)cc1	mol15765	COc1ccc(Nc2ccccc2)cc1