pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.13	Datawarrior	1	0	COCCc1[nH]cc(C)[nH+]1	COCCc1nc(C)c[nH]1	mol12997	COCCc1nc(C)c[nH]1
8.1300001	OCHEM	1	0	COCCc1[nH]cc(C)[nH+]1	COCCc1nc(C)c[nH]1	mol12997	COCCc1nc(C)c[nH]1
8.13000011444092	QSARToolbox	1	0	COCCc1[nH]cc(C)[nH+]1	COCCc1nc(C)c[nH]1	mol12997	COCCc1nc(C)c[nH]1