pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.34	Datawarrior	0	-1	C/C=C/c1ccc2cccnc2c1O	C/C=C/c1ccc2cccnc2c1[O-]	mol13431	C/C=C/c1ccc2cccnc2c1O
11.24	AttenGpKa training set	0	-1	C/C=C/c1ccc2cccnc2c1O	C/C=C/c1ccc2cccnc2c1[O-]	mol13431	C/C=C/c1ccc2cccnc2c1O
4.66	Datawarrior	1	0	C/C=C/c1ccc2ccc[nH+]c2c1O	C/C=C/c1ccc2cccnc2c1O	mol13431	C/C=C/c1ccc2cccnc2c1O
4.65999984741211	QSARToolbox	1	0	C/C=C/c1ccc2ccc[nH+]c2c1O	C/C=C/c1ccc2cccnc2c1O	mol13431	C/C=C/c1ccc2cccnc2c1O
4.76	AttenGpKa training set	1	0	C/C=C/c1ccc2ccc[nH+]c2c1O	C/C=C/c1ccc2cccnc2c1O	mol13431	C/C=C/c1ccc2cccnc2c1O