pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.37	OCHEM	2	1	Cc1ccc(NC(=O)N[C@@H]2[NH+]=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1[NH2+]c1nn[nH]n1	Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1Nc1nn[nH][nH+]1,Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1Nc1n[nH][nH+]n1,Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1Nc1n[nH]n[nH+]1,Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1[NH2+]c1nn[nH]n1,Cc1ccc(NC(=O)N[C@@H]2[NH+]=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1Nc1nn[nH]n1	mol21259	Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1Nc1nn[nH]n1