pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.76	IUPAC digitized pKa	0	-1	COc1nc2ncncc2[nH]1	COc1nc2ncncc2[n-]1	mol4895	COc1nc2ncncc2[nH]1
7.73	Datawarrior	0	-1	COc1nc2ncncc2[nH]1	COc1nc2ncncc2[n-]1	mol4895	COc1nc2ncncc2[nH]1
3.11	IUPAC digitized pKa	1	0	COc1nc2nc[nH+]cc2[nH]1,COc1[nH]c2cncnc2[nH+]1,COc1nc2[nH+]cncc2[nH]1	COc1nc2ncncc2[nH]1	mol4895	COc1nc2ncncc2[nH]1
3.14	Datawarrior	1	0	COc1nc2nc[nH+]cc2[nH]1,COc1[nH]c2cncnc2[nH+]1,COc1nc2[nH+]cncc2[nH]1	COc1nc2ncncc2[nH]1	mol4895	COc1nc2ncncc2[nH]1
3.1400001	OCHEM	1	0	COc1nc2nc[nH+]cc2[nH]1,COc1[nH]c2cncnc2[nH+]1,COc1nc2[nH+]cncc2[nH]1	COc1nc2ncncc2[nH]1	mol4895	COc1nc2ncncc2[nH]1