pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.83	AttenGpKa training set	1	0	COc1cc2c(cc1O)[C@H](C)[NH2+]CC2	COc1cc2c(cc1O)[C@H](C)NCC2,COc1cc2c(cc1[O-])[C@H](C)[NH2+]CC2	mol29566	COc1cc2c(cc1O)C(C)NCC2