pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.98	IUPAC digitized pKa	1	0	C[NH2+]c1nc(Cl)cc(N(C)C)n1,CNc1nc(Cl)cc(N(C)C)[nH+]1,CNc1nc(Cl)cc([NH+](C)C)n1,CNc1nc(N(C)C)cc(Cl)[nH+]1	CNc1nc(Cl)cc(N(C)C)n1	mol7228	CNc1nc(Cl)cc(N(C)C)n1
4.03	AttenGpKa training set	1	0	C[NH2+]c1nc(Cl)cc(N(C)C)n1,CNc1nc(Cl)cc(N(C)C)[nH+]1,CNc1nc(Cl)cc([NH+](C)C)n1,CNc1nc(N(C)C)cc(Cl)[nH+]1	CNc1nc(Cl)cc(N(C)C)n1	mol7228	CNc1nc(Cl)cc(N(C)C)n1