pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	OCHEM	0	-1	CN1C(=O)[C@H](NC(=O)Nc2cccc(CNc3nn[nH]n3)c2)N=C(c2ccccc2)c2ccccc21	CN1C(=O)[C@H](NC(=O)Nc2cccc(CNc3nn[n-]n3)c2)N=C(c2ccccc2)c2ccccc21	mol21261	CN1C(=O)[C@H](NC(=O)Nc2cccc(CNc3nn[nH]n3)c2)N=C(c2ccccc2)c2ccccc21