pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.18	IUPAC digitized pKa	1	0	Cc1ccc(CN)c[nH+]1,Cc1ccc(C[NH3+])cn1	Cc1ccc(CN)cn1	mol1743	Cc1ccc(CN)cn1
8.83	IUPAC digitized pKa	1	0	Cc1ccc(CN)c[nH+]1,Cc1ccc(C[NH3+])cn1	Cc1ccc(CN)cn1	mol1743	Cc1ccc(CN)cn1
8.7	IUPAC digitized pKa	1	0	Cc1ccc(CN)c[nH+]1,Cc1ccc(C[NH3+])cn1	Cc1ccc(CN)cn1	mol1743	Cc1ccc(CN)cn1
8.48	IUPAC digitized pKa	1	0	Cc1ccc(CN)c[nH+]1,Cc1ccc(C[NH3+])cn1	Cc1ccc(CN)cn1	mol1743	Cc1ccc(CN)cn1
8.764999	OCHEM	1	0	Cc1ccc(CN)c[nH+]1,Cc1ccc(C[NH3+])cn1	Cc1ccc(CN)cn1	mol1743	Cc1ccc(CN)cn1
2.9	IUPAC digitized pKa	2	1	Cc1ccc(C[NH3+])c[nH+]1	Cc1ccc(CN)c[nH+]1,Cc1ccc(C[NH3+])cn1	mol1743	Cc1ccc(CN)cn1