pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.39	Baltruschat ChEMBL	1	0	OB(O)c1cc2cc(C[NH2+]c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)ccc2s1	OB(O)c1cc2cc(CNc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)ccc2s1	mol17367	OB(O)c1cc2cc(CNc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)ccc2s1