pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.9	Baltruschat ChEMBL	1	0	COc1cc2c(Nc3c(Cl)ccc4c3OCO4)ncnc2cc1OCc1cc[nH+]c(C#N)c1,COc1cc2c(Nc3c(Cl)ccc4c3OCO4)nc[nH+]c2cc1OCc1ccnc(C#N)c1,COc1cc2c([NH2+]c3c(Cl)ccc4c3OCO4)ncnc2cc1OCc1ccnc(C#N)c1,COc1cc2c(Nc3c(Cl)ccc4c3OCO4)[nH+]cnc2cc1OCc1ccnc(C#N)c1	COc1cc2c(Nc3c(Cl)ccc4c3OCO4)ncnc2cc1OCc1ccnc(C#N)c1	mol17257	COc1cc2c(Nc3c(Cl)ccc4c3OCO4)ncnc2cc1OCc1ccnc(C#N)c1