smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@H](C)[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000006036928	560204680	/nfs/dbraw/zinc/20/46/80/560204680.db2.gz	WVXCVWNSJUNIRQ-NIGIQTOFSA-N	1	1	378.491	-1.229	1	0	in-vitro	GAAFMO
CO[C@H](C)[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000006037005	560204805	/nfs/dbraw/zinc/20/48/05/560204805.db2.gz	WVXCVWNSJUNIRQ-AYUZZZIASA-N	1	1	378.491	-1.229	1	0	in-vitro	GAAFMO
C[NH+]1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC000012657776	570695918	/nfs/dbraw/zinc/69/59/18/570695918.db2.gz	HDCQGHNJHFUBMS-PZWLIILKSA-N	1	1	381.393	-2.935	1	0		GAAFMO
[NH3+]CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]	ZINC000084654039	205396905	/nfs/dbraw/zinc/39/69/05/205396905.db2.gz	RJMZKCMRTSJNMX-UWVGGRQHSA-N	1	1	389.325	-2.313	1	0		GAAFMO
[NH3+]CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-]	ZINC000084669037	222320000	/nfs/dbraw/zinc/32/00/00/222320000.db2.gz	RJMZKCMRTSJNMX-ZJUUUORDSA-N	1	1	389.325	-2.313	1	0		GAAFMO