smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH2+]=C1N[C@H]2[C@@H](COC(=O)NO)N(O)C(=[NH2+])N3CCC(O)(O)[C@@]23N1	ZINC000014691905	560100855	/nfs/dbraw/zinc/10/08/55/560100855.db2.gz	YBDAUZJLBCGWOB-MIBFAWTQSA-N	2	1	331.289	-3.311	1	0	endogenous,in-man	EAAFMP
Nc1nc(N)[nH+]c(NCCCNC(=O)[C@@](N)(CCC[NH3+])C(F)F)n1	ZINC000040894924	213398360	/nfs/dbraw/zinc/39/83/60/213398360.db2.gz	CJGRZYBNVIYBED-GFCCVEGCSA-N	2	1	347.374	-1.344	1	0		EAAFMP
Nc1nc(N)[nH+]c(NCCCNC(=O)[C@](N)(CCC[NH3+])C(F)F)n1	ZINC000040894927	213398459	/nfs/dbraw/zinc/39/84/59/213398459.db2.gz	CJGRZYBNVIYBED-LBPRGKRZSA-N	2	1	347.374	-1.344	1	0		EAAFMP
C[NH2+]CCC[NH2+]C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049089131	213986250	/nfs/dbraw/zinc/98/62/50/213986250.db2.gz	FRPWQMPGADKOIA-IDTAVKCVSA-N	2	1	337.384	-1.773	1	0	in-vitro,metabolite	EAAFMP
[NH2+]=C1N[C@@H]2[C@@H](COC(=O)NO)N(O)C(=[NH2+])N3CCC(O)(O)[C@@]23N1	ZINC000085847766	290946038	/nfs/dbraw/zinc/94/60/38/290946038.db2.gz	YBDAUZJLBCGWOB-FJNYAOGASA-N	2	1	331.289	-3.311	1	0	endogenous,in-man	EAAFMP
N[C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)[C@]12CC[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)O2	ZINC000103265909	219279116	/nfs/dbraw/zinc/27/91/16/219279116.db2.gz	OPYSBLLPJTWWGV-BOJIDMFESA-N	2	1	328.413	-2.448	1	0		EAAFMP