pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.92	Datawarrior	1	0	Cc1cccc([NH2+]c2ccccc2)c1	Cc1cccc(Nc2ccccc2)c1	mol13412	Cc1cccc(Nc2ccccc2)c1
0.92000002	OCHEM	1	0	Cc1cccc([NH2+]c2ccccc2)c1	Cc1cccc(Nc2ccccc2)c1	mol13412	Cc1cccc(Nc2ccccc2)c1
0.870000004768372	QSARToolbox	1	0	Cc1cccc([NH2+]c2ccccc2)c1	Cc1cccc(Nc2ccccc2)c1	mol13412	Cc1cccc(Nc2ccccc2)c1