pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	AttenGpKa training set	1	0	C[NH+](C)CCOc1ccccc1Cc1ccccc1	CN(C)CCOc1ccccc1Cc1ccccc1	mol29675	CN(C)CCOc1ccccc1Cc1ccccc1