pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	Baltruschat ChEMBL	1	0	CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(C[NH+]4CCC[C@H](C)C4)n3)cc2)C1=O,CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCC[C@H](C)C4)[nH+]3)cc2)C1=O	CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCC[C@H](C)C4)n3)cc2)C1=O	mol21391	CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCC(C)C4)n3)cc2)C1=O