pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	Baltruschat ChEMBL	1	0	CCOc1cc(C[NH+]2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)ccc1OC,CCOc1cc(CN2CCC([NH2+]c3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)ccc1OC	CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)ccc1OC	mol20400	CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)ccc1OC