pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.69	Datawarrior	1	0	Cc1nn(C)c2c1C(c1ccccc1F)=[NH+]CC(=O)N2C,Cc1[nH+]n(C)c2c1C(c1ccccc1F)=NCC(=O)N2C	Cc1nn(C)c2c1C(c1ccccc1F)=NCC(=O)N2C	mol15427	Cc1nn(C)c2c1C(c1ccccc1F)=NCC(=O)N2C
4.6900001	OCHEM	1	0	Cc1nn(C)c2c1C(c1ccccc1F)=[NH+]CC(=O)N2C,Cc1[nH+]n(C)c2c1C(c1ccccc1F)=NCC(=O)N2C	Cc1nn(C)c2c1C(c1ccccc1F)=NCC(=O)N2C	mol15427	Cc1nn(C)c2c1C(c1ccccc1F)=NCC(=O)N2C
3.69000005722046	QSARToolbox	1	0	Cc1nn(C)c2c1C(c1ccccc1F)=[NH+]CC(=O)N2C,Cc1[nH+]n(C)c2c1C(c1ccccc1F)=NCC(=O)N2C	Cc1nn(C)c2c1C(c1ccccc1F)=NCC(=O)N2C	mol15427	Cc1nn(C)c2c1C(c1ccccc1F)=NCC(=O)N2C