pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.69	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.6	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.7	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.73	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.8	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.72	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.64	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.56	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.48	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.66	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.68	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.998	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.902	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.804	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.712	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.623	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.53	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.447	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.364	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.284	IUPAC digitized pKa	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.71	OCHEM	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.6999998	OCHEM	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.695	OCHEM	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.76	AttenGpKa training set	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1