pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.21	Baltruschat ChEMBL	1	0	O=c1[nH]cc(C[NH+](CCCl)CCCl)c(=O)[nH]1	O=c1[nH]cc(CN(CCCl)CCCl)c(=O)[nH]1	mol16049	O=c1[nH]cc(CN(CCCl)CCCl)c(=O)[nH]1