smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@@H+]1CC[C@@]23c4c5c(O[C@@H]6O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]6O)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000003920820	552422314	/nfs/dbraw/zinc/42/23/14/552422314.db2.gz	DSRNCSJRHACUJL-JXOQMJNJSA-N	0	1	503.504	-1.133	50	30	in-vitro	KAEAMN
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC000029390895	553844633	/nfs/dbraw/zinc/84/46/33/553844633.db2.gz	KKUPPLMEDQDAJX-UEHMALFGSA-N	0	1	648.762	-1.728	50	30		KAEAMN
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000038989354	554278233	/nfs/dbraw/zinc/27/82/33/554278233.db2.gz	ZRVZOBGMZWVJOS-VMXHOPILSA-N	0	1	715.766	-6.274	50	30	in-vivo	KAEAMN
O=[N+]([O-])c1cc(S(=O)(=O)N(CCO)CCO)cc2c1-c1c(cc(S(=O)(=O)N(CCO)CCO)cc1[N+](=O)[O-])C2=NO	ZINC000100500933	554405831	/nfs/dbraw/zinc/40/58/31/554405831.db2.gz	IGTNKGYPBKJRCM-UHFFFAOYSA-N	0	1	619.587	-1.339	50	30		KAEAMN
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)NCC(=O)[O-]	ZINC000100536725	554412494	/nfs/dbraw/zinc/41/24/94/554412494.db2.gz	UAXAYRSMIDOXCU-BJDJZHNGSA-N	0	1	608.704	-5.917	50	30		KAEAMN
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000197939832	1066204691	/nfs/dbraw/zinc/20/46/91/1066204691.db2.gz	GDPHPXYFLPDZGH-ZPHQVYNISA-N	0	1	725.848	-1.236	50	30		KAEAMN