pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.30999994277954	QSARToolbox	2	1	CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NC(c1[nH]cc[nH+]1)c1[nH]cc[nH+]1	CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NC(c1ncc[nH]1)c1[nH]cc[nH+]1	mol37399	CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NC(c1ncc[nH]1)c1ncc[nH]1