pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.90000009536743	QSARToolbox	0	-1	[O-][N+](O)=C[C@H](SCCO)c1ccccc1	[O-][N+]([O-])=C[C@H](SCCO)c1ccccc1	mol36921	[O-][N+](O)=CC(SCCO)c1ccccc1