pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7	IUPAC digitized pKa	1	0	Cc1nc(O)[nH+]c(O)c1N(CCCl)CCCl,Cc1[nH+]c(O)nc(O)c1N(CCCl)CCCl,Cc1nc(O)nc(O)c1[NH+](CCCl)CCCl	Cc1nc(O)nc(O)c1N(CCCl)CCCl	mol7138	Cc1nc(O)nc(O)c1N(CCCl)CCCl
1.8	IUPAC digitized pKa	2	1	Cc1[nH+]c(O)[nH+]c(O)c1N(CCCl)CCCl,Cc1[nH+]c(O)nc(O)c1[NH+](CCCl)CCCl,Cc1nc(O)[nH+]c(O)c1[NH+](CCCl)CCCl	Cc1nc(O)[nH+]c(O)c1N(CCCl)CCCl,Cc1[nH+]c(O)nc(O)c1N(CCCl)CCCl,Cc1nc(O)nc(O)c1[NH+](CCCl)CCCl	mol7138	Cc1nc(O)nc(O)c1N(CCCl)CCCl