pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.9300003051758	QSARToolbox	-3	-4	NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-],NCC(=O)N1CCC[C@H]1C(=O)[N-]CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	NCC(=O)N1CCC[C@H]1C(=O)[N-]CC(=O)N1CCC[C@H]1C(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-]	mol37411	NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O