pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Baltruschat ChEMBL	2	1	C[C@@H]1C[C@H]([NH3+])C[C@H](c2cc[nH+]cc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1,C[C@@H]1C[C@H]([NH3+])C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)[nH+]2)C1	C[C@@H]1C[C@H](N)C[C@H](c2cc[nH+]cc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1,C[C@@H]1C[C@H]([NH3+])C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1	mol16247	C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1