pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	IUPAC digitized pKa	0	-1	Nc1ncc2[nH]cnc2n1	Nc1ncc2[n-]cnc2n1	mol4847	Nc1ncc2[nH]cnc2n1
9.93	Datawarrior	0	-1	Nc1ncc2[nH]cnc2n1	Nc1ncc2[n-]cnc2n1	mol4847	Nc1ncc2[nH]cnc2n1
9.9300003	OCHEM	0	-1	Nc1ncc2[nH]cnc2n1	Nc1ncc2[n-]cnc2n1	mol4847	Nc1ncc2[nH]cnc2n1
3.73	IUPAC digitized pKa	1	0	Nc1nc2nc[nH]c2c[nH+]1,Nc1ncc2[nH]c[nH+]c2n1,[NH3+]c1ncc2[nH]cnc2n1,Nc1ncc2[nH]cnc2[nH+]1	Nc1ncc2[nH]cnc2n1	mol4847	Nc1ncc2[nH]cnc2n1
3.8	Datawarrior	1	0	Nc1nc2nc[nH]c2c[nH+]1,Nc1ncc2[nH]c[nH+]c2n1,[NH3+]c1ncc2[nH]cnc2n1,Nc1ncc2[nH]cnc2[nH+]1	Nc1ncc2[nH]cnc2n1	mol4847	Nc1ncc2[nH]cnc2n1
-0.28	IUPAC digitized pKa	2	1	Nc1nc2[nH+]c[nH]c2c[nH+]1,Nc1ncc2[nH]c[nH+]c2[nH+]1,[NH3+]c1ncc2[nH]cnc2[nH+]1,Nc1[nH+]cc2[nH]cnc2[nH+]1,[NH3+]c1nc2nc[nH]c2c[nH+]1,[NH3+]c1ncc2[nH]c[nH+]c2n1	Nc1nc2nc[nH]c2c[nH+]1,Nc1ncc2[nH]c[nH+]c2n1,[NH3+]c1ncc2[nH]cnc2n1,Nc1ncc2[nH]cnc2[nH+]1	mol4847	Nc1ncc2[nH]cnc2n1