pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.86	Baltruschat ChEMBL	2	1	CC[NH+](CC)c1ccc(C)c2[nH+]c(-c3c(OC)cc(COC)cc3OC)c(C)cc12	CC[NH+](CC)c1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12,CCN(CC)c1ccc(C)c2[nH+]c(-c3c(OC)cc(COC)cc3OC)c(C)cc12	mol20385	CCN(CC)c1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12