pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.69	IUPAC digitized pKa	0	-1	C[C@H]([NH2+]CC[NH2+][C@@H](C)C(=O)[O-])C(=O)[O-]	C[C@H](NCC[NH2+][C@@H](C)C(=O)[O-])C(=O)[O-]	mol10714	CC(NCCNC(C)C(=O)O)C(=O)O
6.59	IUPAC digitized pKa	0	-1	C[C@H]([NH2+]CC[NH2+][C@@H](C)C(=O)[O-])C(=O)[O-]	C[C@H](NCC[NH2+][C@@H](C)C(=O)[O-])C(=O)[O-]	mol10714	CC(NCCNC(C)C(=O)O)C(=O)O
6.69000005722046	QSARToolbox	0	-1	C[C@H]([NH2+]CC[NH2+][C@@H](C)C(=O)[O-])C(=O)[O-]	C[C@H](NCC[NH2+][C@@H](C)C(=O)[O-])C(=O)[O-]	mol10714	CC(NCCNC(C)C(=O)O)C(=O)O
9.58	IUPAC digitized pKa	-1	-2	C[C@H](NCC[NH2+][C@@H](C)C(=O)[O-])C(=O)[O-]	C[C@H](NCCN[C@@H](C)C(=O)[O-])C(=O)[O-]	mol10714	CC(NCCNC(C)C(=O)O)C(=O)O
9.48	IUPAC digitized pKa	-1	-2	C[C@H](NCC[NH2+][C@@H](C)C(=O)[O-])C(=O)[O-]	C[C@H](NCCN[C@@H](C)C(=O)[O-])C(=O)[O-]	mol10714	CC(NCCNC(C)C(=O)O)C(=O)O