pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.58	OCHEM	1	0	Cc1nc(C)c2ccccc2[nH+]1,Cc1nc2ccccc2c(C)[nH+]1	Cc1nc(C)c2ccccc2n1	mol4630	Cc1nc(C)c2ccccc2n1
3.57999992370605	QSARToolbox	1	0	Cc1nc(C)c2ccccc2[nH+]1,Cc1nc2ccccc2c(C)[nH+]1	Cc1nc(C)c2ccccc2n1	mol4630	Cc1nc(C)c2ccccc2n1
3.6	AttenGpKa training set	1	0	Cc1nc(C)c2ccccc2[nH+]1,Cc1nc2ccccc2c(C)[nH+]1	Cc1nc(C)c2ccccc2n1	mol4630	Cc1nc(C)c2ccccc2n1