pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.2	OCHEM	1	0	O=C1C[C@@H]2OCC=C3[C@@H]4C[C@@H]5[NH+](CC[C@@]56c5ccccc5N1[C@@H]6[C@@H]24)[C@H]3S(=O)(=O)O	O=C1C[C@@H]2OCC=C3[C@@H]4C[C@@H]5[NH+](CC[C@@]56c5ccccc5N1[C@@H]6[C@@H]24)[C@H]3S(=O)(=O)[O-]	mol32676	O=C1CC2OCC=C3C4CC5N(CCC56c5ccccc5N1C6C24)C3S(=O)(=O)O