pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.34	Datawarrior	1	0	Clc1cccc([NH2+]c2ccccc2)c1	Clc1cccc(Nc2ccccc2)c1	mol13414	Clc1cccc(Nc2ccccc2)c1
2.3399999	OCHEM	1	0	Clc1cccc([NH2+]c2ccccc2)c1	Clc1cccc(Nc2ccccc2)c1	mol13414	Clc1cccc(Nc2ccccc2)c1
-0.416	AttenGpKa training set	1	0	Clc1cccc([NH2+]c2ccccc2)c1	Clc1cccc(Nc2ccccc2)c1	mol13414	Clc1cccc(Nc2ccccc2)c1