pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.56	Baltruschat ChEMBL	1	0	O=S(=O)(Nc1cc2c(c3ccccc13)O[C@@]1([NH+]3CCOCC3)CCCC[C@@H]21)c1ccccc1	O=S(=O)(Nc1cc2c(c3ccccc13)O[C@@]1(N3CCOCC3)CCCC[C@@H]21)c1ccccc1	mol16377	O=S(=O)(Nc1cc2c(c3ccccc13)OC1(N3CCOCC3)CCCCC21)c1ccccc1