pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.41	Baltruschat ChEMBL	0	-1	COc1cc(C(=O)[O-])ccc1[NH2+]c1c2ccccc2nc2ccccc12,COc1cc(C(=O)[O-])ccc1Nc1c2ccccc2[nH+]c2ccccc12	COc1cc(C(=O)[O-])ccc1Nc1c2ccccc2nc2ccccc12	mol18676	COc1cc(C(=O)O)ccc1Nc1c2ccccc2nc2ccccc12