pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.03999996185303	QSARToolbox	1	0	CCOC(=O)[C@@H]1Sc2[nH+]cnc(N3CCCCC3)c2NC1=O,CCOC(=O)[C@@H]1Sc2nc[nH+]c(N3CCCCC3)c2NC1=O,CCOC(=O)[C@@H]1Sc2ncnc([NH+]3CCCCC3)c2NC1=O	CCOC(=O)[C@@H]1Sc2ncnc(N3CCCCC3)c2NC1=O	mol35855	CCOC(=O)C1Sc2ncnc(N3CCCCC3)c2NC1=O