pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.82	Manchester	0	-1	Cc1[nH]c(C(=O)NC2CCN(c3cc(-c4nnn[nH]4)cc(Cl)n3)CC2)c(Cl)c1Cl	Cc1[nH]c(C(=O)NC2CCN(c3cc(-c4nnn[n-]4)cc(Cl)n3)CC2)c(Cl)c1Cl	mol2622	Cc1[nH]c(C(=O)NC2CCN(c3cc(-c4nnn[nH]4)cc(Cl)n3)CC2)c(Cl)c1Cl
