pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Hunt	0	-1	O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl,O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]CC2)c1[O-])Nc1cccc(F)c1Cl	O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1[O-])Nc1cccc(F)c1Cl	mol562	O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl
5.9	Hunt	1	0	O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]CC2)c1O)Nc1cccc(F)c1Cl	O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl,O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]CC2)c1[O-])Nc1cccc(F)c1Cl	mol562	O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl