pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6999998	OCHEM	1	0	CNC(=O)C=C(c1ccc2[nH+]c(N)n(C3CCCC3)c2c1)c1ccccc1F,CNC(=O)C=C(c1ccc2nc([NH3+])n(C3CCCC3)c2c1)c1ccccc1F	CNC(=O)C=C(c1ccc2nc(N)n(C3CCCC3)c2c1)c1ccccc1F	mol32680	CNC(=O)C=C(c1ccc2nc(N)n(C3CCCC3)c2c1)c1ccccc1F
6.69999980926514	QSARToolbox	1	0	CNC(=O)C=C(c1ccc2[nH+]c(N)n(C3CCCC3)c2c1)c1ccccc1F,CNC(=O)C=C(c1ccc2nc([NH3+])n(C3CCCC3)c2c1)c1ccccc1F	CNC(=O)C=C(c1ccc2nc(N)n(C3CCCC3)c2c1)c1ccccc1F	mol32680	CNC(=O)C=C(c1ccc2nc(N)n(C3CCCC3)c2c1)c1ccccc1F