pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.69	Baltruschat ChEMBL	1	0	CC[NH+](CC)CCS/C(=N/O)c1cnsn1	CCN(CC)CCS/C(=N/O)c1cnsn1,CC[NH+](CC)CCS/C(=N/[O-])c1cnsn1	mol20488	CCN(CC)CCS/C(=N/O)c1cnsn1