pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	Datawarrior	0	-1	c1ccc(CCNc2ncnc3nc[nH]c23)cc1	c1ccc(CCNc2ncnc3nc[n-]c23)cc1	mol4907	c1ccc(CCNc2ncnc3nc[nH]c23)cc1
4.2	Datawarrior	1	0	c1ccc(CCNc2[nH+]cnc3nc[nH]c23)cc1,c1ccc(CCNc2ncnc3[nH+]c[nH]c23)cc1,c1ccc(CC[NH2+]c2ncnc3nc[nH]c23)cc1,c1ccc(CCNc2nc[nH+]c3nc[nH]c23)cc1	c1ccc(CCNc2ncnc3nc[nH]c23)cc1	mol4907	c1ccc(CCNc2ncnc3nc[nH]c23)cc1
4.1999998	OCHEM	1	0	c1ccc(CCNc2[nH+]cnc3nc[nH]c23)cc1,c1ccc(CCNc2ncnc3[nH+]c[nH]c23)cc1,c1ccc(CC[NH2+]c2ncnc3nc[nH]c23)cc1,c1ccc(CCNc2nc[nH+]c3nc[nH]c23)cc1	c1ccc(CCNc2ncnc3nc[nH]c23)cc1	mol4907	c1ccc(CCNc2ncnc3nc[nH]c23)cc1