pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	Baltruschat ChEMBL	0	-1	CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1	CC#C[C@@H](CC(=O)[O-])c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1	mol17804	CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1