pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	Baltruschat ChEMBL	0	-1	C[C@@H]1[C@@H]([NH+](C)C)CN1c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1	C[C@@H]1[C@@H](N(C)C)CN1c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1	mol16409	C[C@@H]1[C@@H](N(C)C)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1
6.29	Baltruschat ChEMBL	1	0	C[C@@H]1[C@@H](N(C)C)C[NH+]1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1,C[C@@H]1[C@@H]([NH+](C)C)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1	C[C@@H]1[C@@H]([NH+](C)C)CN1c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1	mol16409	C[C@@H]1[C@@H](N(C)C)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1