pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Baltruschat ChEMBL	0	-1	Cc1cc(COc2ccc([C@@]3(C)CCN([C@@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1	Cc1cc(COc2ccc([C@@]3(C)CCN([C@@H](C)C(=O)N[O-])C3=O)cc2)c2ccccc2n1	mol17068	Cc1cc(COc2ccc([C@@]3(C)CCN([C@@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1