pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.07	Datawarrior	0	-1	C=CCc1ccc2cccnc2c1O	C=CCc1ccc2cccnc2c1[O-]	mol13432	C=CCc1ccc2cccnc2c1O
9.97	AttenGpKa training set	0	-1	C=CCc1ccc2cccnc2c1O	C=CCc1ccc2cccnc2c1[O-]	mol13432	C=CCc1ccc2cccnc2c1O
4.52	Datawarrior	1	0	C=CCc1ccc2ccc[nH+]c2c1O	C=CCc1ccc2cccnc2c1O	mol13432	C=CCc1ccc2cccnc2c1O
4.51999998092651	QSARToolbox	1	0	C=CCc1ccc2ccc[nH+]c2c1O	C=CCc1ccc2cccnc2c1O	mol13432	C=CCc1ccc2cccnc2c1O
4.62	AttenGpKa training set	1	0	C=CCc1ccc2ccc[nH+]c2c1O	C=CCc1ccc2cccnc2c1O	mol13432	C=CCc1ccc2cccnc2c1O