pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.0	Datawarrior	1	0	Clc1ccc([NH2+]c2ccccc2)cc1	Clc1ccc(Nc2ccccc2)cc1	mol13415	Clc1ccc(Nc2ccccc2)cc1
0.127	AttenGpKa training set	1	0	Clc1ccc([NH2+]c2ccccc2)cc1	Clc1ccc(Nc2ccccc2)cc1	mol13415	Clc1ccc(Nc2ccccc2)cc1