pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.44	SAMPL8	0	-1	Nc1n[nH]c2nc(-c3ccccc3)c(Cl)cc12	Nc1n[n-]c2nc(-c3ccccc3)c(Cl)cc12	SAMPL8-20	Nc1n[nH]c2nc(-c3ccccc3)c(Cl)cc12
2.44	SAMPL8	1	0	Nc1[nH+][nH]c2nc(-c3ccccc3)c(Cl)cc12,[NH3+]c1n[nH]c2nc(-c3ccccc3)c(Cl)cc12,Nc1n[nH]c2[nH+]c(-c3ccccc3)c(Cl)cc12	Nc1n[nH]c2nc(-c3ccccc3)c(Cl)cc12	SAMPL8-20	Nc1n[nH]c2nc(-c3ccccc3)c(Cl)cc12