pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	Hunt	0	-1	O=C([O-])[C@H](c1ccccc1)[NH+]1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,O=C([O-])[C@H](c1ccccc1)N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	O=C([O-])[C@H](c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol552	O=C(O)[C@H](c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1