pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.55	AttenGpKa training set	1	0	c1ccc(COC2=NO[C@@]3(C2)C[NH+]2CCC3CC2)cc1	c1ccc(COC2=NO[C@@]3(C2)CN2CCC3CC2)cc1	mol24669	c1ccc(COC2=NOC3(C2)CN2CCC3CC2)cc1