pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.78	Baltruschat ChEMBL	0	-1	O=C(Nc1ccc(C2CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F	O=C(Nc1ccc(C2CCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F	mol16250	O=C(Nc1ccc(C2CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F