pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.8	Baltruschat ChEMBL	2	1	O=C1CN(Cc2ccc(-c3ccc(F)c(C[NH+]4CCS(=O)(=O)CC4)[nH+]3)cc2)C(=O)N1C1CC1	O=C1CN(Cc2ccc(-c3ccc(F)c(C[NH+]4CCS(=O)(=O)CC4)n3)cc2)C(=O)N1C1CC1,O=C1CN(Cc2ccc(-c3ccc(F)c(CN4CCS(=O)(=O)CC4)[nH+]3)cc2)C(=O)N1C1CC1	mol21383	O=C1CN(Cc2ccc(-c3ccc(F)c(CN4CCS(=O)(=O)CC4)n3)cc2)C(=O)N1C1CC1