pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.52	Datawarrior	1	0	Cc1nn(C)c(N(C)C(=O)C[NH3+])c1C(=O)c1ccccc1F	Cc1nn(C)c(N(C)C(=O)CN)c1C(=O)c1ccccc1F	mol15080	Cc1nn(C)c(N(C)C(=O)CN)c1C(=O)c1ccccc1F
7.51999998092651	QSARToolbox	1	0	Cc1nn(C)c(N(C)C(=O)C[NH3+])c1C(=O)c1ccccc1F	Cc1nn(C)c(N(C)C(=O)CN)c1C(=O)c1ccccc1F	mol15080	Cc1nn(C)c(N(C)C(=O)CN)c1C(=O)c1ccccc1F