pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.98	Datawarrior	-2	-3	C[NH+](C)CC(P(=O)([O-])[O-])P(=O)([O-])O	C[NH+](C)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	mol13702	CN(C)CC(P(=O)(O)O)P(=O)(O)O
8.9799995	OCHEM	-2	-3	C[NH+](C)CC(P(=O)([O-])[O-])P(=O)([O-])O	C[NH+](C)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	mol13702	CN(C)CC(P(=O)(O)O)P(=O)(O)O
5.75	Datawarrior	-1	-2	C[NH+](C)CC(P(=O)([O-])O)P(=O)([O-])O,C[NH+](C)CC(P(=O)([O-])[O-])P(=O)(O)O	C[NH+](C)CC(P(=O)([O-])[O-])P(=O)([O-])O	mol13702	CN(C)CC(P(=O)(O)O)P(=O)(O)O