pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.36	AttenGpKa training set	0	-1	C[C@H](Cc1ccccc1)NO	C[C@H](Cc1ccccc1)N[O-]	mol29507	CC(Cc1ccccc1)NO
10.53	AttenGpKa training set	0	-1	C[C@H](Cc1ccccc1)NO	C[C@H](Cc1ccccc1)N[O-]	mol29507	CC(Cc1ccccc1)NO