pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.8	Baltruschat ChEMBL	0	-1	CC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl	CC(=O)[N-]c1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl	mol19829	CC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl
4.1	Baltruschat ChEMBL	1	0	CC(=O)Nc1[nH+]c2nc(C)ncc2cc1-c1c(Cl)cccc1Cl,CC(=O)Nc1nc2nc(C)[nH+]cc2cc1-c1c(Cl)cccc1Cl,CC(=O)Nc1nc2[nH+]c(C)ncc2cc1-c1c(Cl)cccc1Cl	CC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl	mol19829	CC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl