pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.33	Baltruschat ChEMBL	0	-1	Clc1cc2nc(-c3ccncc3)[nH]c2cc1Cl	Clc1cc2nc(-c3ccncc3)[n-]c2cc1Cl	mol16613	Clc1cc2nc(-c3ccncc3)[nH]c2cc1Cl
3.0	Baltruschat ChEMBL	2	1	Clc1cc2[nH]c(-c3cc[nH+]cc3)[nH+]c2cc1Cl	Clc1cc2[nH]c(-c3ccncc3)[nH+]c2cc1Cl,Clc1cc2nc(-c3cc[nH+]cc3)[nH]c2cc1Cl	mol16613	Clc1cc2nc(-c3ccncc3)[nH]c2cc1Cl