pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.03	IUPAC digitized pKa	1	0	Cc1nc2ccc(F)cc2c(C(N)=O)[nH+]1,Cc1nc(C(N)=O)c2cc(F)ccc2[nH+]1	Cc1nc(C(N)=O)c2cc(F)ccc2n1	mol7853	Cc1nc(C(N)=O)c2cc(F)ccc2n1
1.29999995231628	QSARToolbox	1	0	Cc1nc2ccc(F)cc2c(C(N)=O)[nH+]1,Cc1nc(C(N)=O)c2cc(F)ccc2[nH+]1	Cc1nc(C(N)=O)c2cc(F)ccc2n1	mol7853	Cc1nc(C(N)=O)c2cc(F)ccc2n1
4.13000011444092	QSARToolbox	1	0	Cc1nc2ccc(F)cc2c(C(N)=O)[nH+]1,Cc1nc(C(N)=O)c2cc(F)ccc2[nH+]1	Cc1nc(C(N)=O)c2cc(F)ccc2n1	mol7853	Cc1nc(C(N)=O)c2cc(F)ccc2n1
4.21	AttenGpKa training set	1	0	Cc1nc2ccc(F)cc2c(C(N)=O)[nH+]1,Cc1nc(C(N)=O)c2cc(F)ccc2[nH+]1	Cc1nc(C(N)=O)c2cc(F)ccc2n1	mol7853	Cc1nc(C(N)=O)c2cc(F)ccc2n1