pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.42	Baltruschat ChEMBL	2	1	CC[NH+](CC)Cc1cc([NH2+]c2ccnc3cc(Cl)ccc23)c(F)c(F)c1O,CC[NH+](CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)c(F)c(F)c1O	CCN(CC)Cc1cc([NH2+]c2ccnc3cc(Cl)ccc23)c(F)c(F)c1O,CC[NH+](CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)c(F)c(F)c1[O-],CC[NH+](CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)c(F)c(F)c1O,CCN(CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)c(F)c(F)c1O	mol20938	CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)c(F)c(F)c1O