pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.69	Baltruschat ChEMBL	0	-1	O=C(CCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O	O=C(CCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)[O-]	mol19320	O=C(CCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O