pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.47	Baltruschat ChEMBL	1	0	c1coc(C[NH2+]CCCNc2ccnc3cc(Cc4ccc5c(c4)OCO5)ccc23)c1,c1coc(CNCCCNc2cc[nH+]c3cc(Cc4ccc5c(c4)OCO5)ccc23)c1,c1coc(CNCCC[NH2+]c2ccnc3cc(Cc4ccc5c(c4)OCO5)ccc23)c1	c1coc(CNCCCNc2ccnc3cc(Cc4ccc5c(c4)OCO5)ccc23)c1	mol16883	c1coc(CNCCCNc2ccnc3cc(Cc4ccc5c(c4)OCO5)ccc23)c1