pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.86	IUPAC digitized pKa	0	-1	CC[C@@](O)(C(=N)N)c1ccccc1	CC[C@@](O)(C(=[N-])N)c1ccccc1	mol3410	CCC(O)(C(=N)N)c1ccccc1
11.4	OCHEM	0	-1	CC[C@@](O)(C(=N)N)c1ccccc1	CC[C@@](O)(C(=[N-])N)c1ccccc1	mol3410	CCC(O)(C(=N)N)c1ccccc1
11.6000003814697	QSARToolbox	0	-1	CC[C@@](O)(C(=N)N)c1ccccc1	CC[C@@](O)(C(=[N-])N)c1ccccc1	mol3410	CCC(O)(C(=N)N)c1ccccc1
12.8599996566772	QSARToolbox	0	-1	CC[C@@](O)(C(=N)N)c1ccccc1	CC[C@@](O)(C(=[N-])N)c1ccccc1	mol3410	CCC(O)(C(=N)N)c1ccccc1
11.06	IUPAC digitized pKa	1	0	CC[C@@](O)(C(N)=[NH2+])c1ccccc1	CC[C@@](O)(C(=N)N)c1ccccc1	mol3410	CCC(O)(C(=N)N)c1ccccc1