pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	Baltruschat ChEMBL	-2	-3	O=C1NC(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3[O-])o2)S1	O=C1[N-]C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3[O-])o2)S1	mol17809	O=C1NC(=O)/C(=C/c2ccc(-c3cc(C(=O)O)ccc3O)o2)S1