pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.42	Datawarrior	1	0	Cc1ccc([NH2+]CO)cc1	Cc1ccc(NCO)cc1	mol13063	Cc1ccc(NCO)cc1
3.4200001	OCHEM	1	0	Cc1ccc([NH2+]CO)cc1	Cc1ccc(NCO)cc1	mol13063	Cc1ccc(NCO)cc1
3.42000007629395	QSARToolbox	1	0	Cc1ccc([NH2+]CO)cc1	Cc1ccc(NCO)cc1	mol13063	Cc1ccc(NCO)cc1