pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.31	Baltruschat ChEMBL	0	-1	C[C@H]1[C@H]([NH3+])CN1c1nc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1	C[C@H]1[C@H](N)CN1c1nc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1	mol16413	C[C@H]1[C@H](N)CN1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1
6.26	Baltruschat ChEMBL	1	0	C[C@H]1[C@H](N)C[NH+]1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1,C[C@H]1[C@H]([NH3+])CN1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1	C[C@H]1[C@H]([NH3+])CN1c1nc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1	mol16413	C[C@H]1[C@H](N)CN1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1