smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2ccc(C=[NH+]Nc3nc4c(nc(N)[nH]c4=O)n3[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)cc2[N+](=O)[O-])CC1	ZINC000100270052	554268886	/nfs/dbraw/zinc/26/88/86/554268886.db2.gz	NNZNKOHVTJTPFL-FIGLBAGKSA-N	2	2	544.529	-1.581	40	30		KAEBLP
C[NH+]1CCN(c2ccc(C=[NH+]Nc3nc4c(nc(N)[nH]c4=O)n3[C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)cc2[N+](=O)[O-])CC1	ZINC000100270060	554268820	/nfs/dbraw/zinc/26/88/20/554268820.db2.gz	NNZNKOHVTJTPFL-GMKBGXEISA-N	2	2	544.529	-1.581	40	30		KAEBLP
C[NH+]1CCN(c2ccc(C=[NH+]Nc3nc4c(nc(N)[nH]c4=O)n3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)cc2[N+](=O)[O-])CC1	ZINC000100928032	554525358	/nfs/dbraw/zinc/52/53/58/554525358.db2.gz	NNZNKOHVTJTPFL-HFLJFPFFSA-N	2	2	544.529	-1.581	40	30		KAEBLP
C[NH+]1CCN(c2ccc(C=[NH+]Nc3nc4c(nc(N)[nH]c4=O)n3[C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)cc2[N+](=O)[O-])CC1	ZINC000100928034	554525351	/nfs/dbraw/zinc/52/53/51/554525351.db2.gz	NNZNKOHVTJTPFL-YIPHTFBLSA-N	2	2	544.529	-1.581	40	30		KAEBLP
C[NH+]1CCN(c2ccc(C=[NH+]Nc3nc4c(nc(N)[nH]c4=O)n3[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)cc2[N+](=O)[O-])CC1	ZINC000227240385	572152071	/nfs/dbraw/zinc/15/20/71/572152071.db2.gz	NNZNKOHVTJTPFL-IMOPTKBJSA-N	2	2	544.529	-1.581	40	30		KAEBLP
C[NH+]1CCN(c2ccc(C=[NH+]Nc3nc4c(nc(N)[nH]c4=O)n3[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)cc2[N+](=O)[O-])CC1	ZINC000257346787	572320483	/nfs/dbraw/zinc/32/04/83/572320483.db2.gz	NNZNKOHVTJTPFL-DZFVLXBGSA-N	2	2	544.529	-1.168	40	30		KAEBLP
C[NH+]1CCN(c2ccc(C=[NH+]Nc3nc4c(nc(N)[nH]c4=O)n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2[N+](=O)[O-])CC1	ZINC000257346788	572320472	/nfs/dbraw/zinc/32/04/72/572320472.db2.gz	NNZNKOHVTJTPFL-QPLSIJSKSA-N	2	2	544.529	-1.168	40	30		KAEBLP
C[NH+]1CCN(c2ccc(C=[NH+]Nc3nc4c(nc(N)[nH]c4=O)n3[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc2[N+](=O)[O-])CC1	ZINC000257346789	572320448	/nfs/dbraw/zinc/32/04/48/572320448.db2.gz	NNZNKOHVTJTPFL-VHVSHMJVSA-N	2	2	544.529	-1.168	40	30		KAEBLP