pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.69999980926514	QSARToolbox	1	0	NCC[NH2+]Cc1cccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NCCC(N)=O)n1,NCCNCc1cccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NCCC(N)=O)n1,NCCNCc1cccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NCCC(N)=O)[nH+]1,NC(=O)CCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(CNCC[NH3+])n1	NCCNCc1cccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NCCC(N)=O)n1	mol38131	NCCNCc1cccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NCCC(N)=O)n1