pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.44	Baltruschat ChEMBL	1	0	CC[NH+](CC)CCS/C(=N/O)C(=O)c1ccc(Br)cc1	CCN(CC)CCS/C(=N/O)C(=O)c1ccc(Br)cc1,CC[NH+](CC)CCS/C(=N/[O-])C(=O)c1ccc(Br)cc1	mol20486	CCN(CC)CCS/C(=N/O)C(=O)c1ccc(Br)cc1