pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.15	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
4.07	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.98	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.92	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.83	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.76	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
4.0	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
4.05	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.93	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.82	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
4.328	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
4.24	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
4.153	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
4.065	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.982	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.904	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.825	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.751	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.675	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.6	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.96	Datawarrior	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.99	OCHEM	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1