pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.97000002861023	QSARToolbox	1	0	c1ccc(-c2cc3[nH+]c(c2)COCCOCCOCCOCCOCCOCCOC3)cc1	c1ccc(-c2cc3nc(c2)COCCOCCOCCOCCOCCOCCOC3)cc1	mol34655	c1ccc(-c2cc3nc(c2)COCCOCCOCCOCCOCCOCCOC3)cc1