pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.3	Baltruschat ChEMBL	0	-1	COC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl	COC(=O)[N-]c1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl	mol19828	COC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl
4.2	Baltruschat ChEMBL	1	0	COC(=O)Nc1nc2[nH+]c(C)ncc2cc1-c1c(Cl)cccc1Cl,COC(=O)Nc1nc2nc(C)[nH+]cc2cc1-c1c(Cl)cccc1Cl,COC(=O)Nc1[nH+]c2nc(C)ncc2cc1-c1c(Cl)cccc1Cl	COC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl	mol19828	COC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl