pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.96	Baltruschat ChEMBL	2	1	CC[NH+](CC)Cc1cc([NH2+]c2ccnc3cc(Cl)ccc23)cc(F)c1O,CC[NH+](CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(F)c1O	CC[NH+](CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(F)c1O,CCN(CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(F)c1O,CCN(CC)Cc1cc([NH2+]c2ccnc3cc(Cl)ccc23)cc(F)c1O	mol20936	CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(F)c1O