pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.85000002384186	QSARToolbox	1	0	C/C(=C/C=C/[C@@H](C)C(O)=[OH+])[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O,C/C(=C/C=C/[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(O)=[OH+],C/C(=C/C=C/[C@@H](C)C(=O)O)[C@H]1C[NH2+][C@H](C(=O)O)[C@H]1CC(=O)O	C/C(=C/C=C/[C@@H](C)C(=O)O)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)O	mol38491	C/C(=C/C=C/[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O