smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)C[C@H](NC(=O)Cc1ccc(O)cc1O)C(=O)NCCCCCNC(=O)CC[NH2+]CCCC[NH2+]CCC[NH3+]	ZINC000004654981	561695103	/nfs/dbraw/zinc/69/51/03/561695103.db2.gz	SJLRBGDPTALRDM-QFIPXVFZSA-N	3	0	565.716	-0.899	10	0	in-vitro	KBAERP
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000028470648	561927006	/nfs/dbraw/zinc/92/70/06/561927006.db2.gz	FIAKHZXVLBNZLW-NFGXINMFSA-N	3	0	639.802	-0.546	10	0		KBAERP
Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000043130902	562646280	/nfs/dbraw/zinc/64/62/80/562646280.db2.gz	SFVLTCAESLKEHH-WKAQUBQDSA-N	3	0	639.802	-0.546	10	0	investigational	KBAERP
CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1nc(NCNc1nc3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)[nH]1)[nH]c2=O	ZINC000072130492	553642066	/nfs/dbraw/zinc/64/20/66/553642066.db2.gz	WLNNOXICHLWLAK-IRXDYDNUSA-N	2	0	660.693	-0.965	10	0	in-vitro	KBAERP
CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000085565587	562753300	/nfs/dbraw/zinc/75/33/00/562753300.db2.gz	NIIZKQVUHKYFML-LROMGURASA-N	2	0	643.834	-0.157	10	0		KBAERP
CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000104828844	571386790	/nfs/dbraw/zinc/38/67/90/571386790.db2.gz	WCSPDMCSKYUFBX-KIHHCIJBSA-N	2	0	598.774	-0.245	10	0		KBAERP
CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1)C(C)C	ZINC000150340666	571457965	/nfs/dbraw/zinc/45/79/65/571457965.db2.gz	IVRJWARYCGFVHR-MGDCHWCSSA-N	2	0	725.852	-0.312	10	0		KBAERP
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-]	ZINC000150383691	562843379	/nfs/dbraw/zinc/84/33/79/562843379.db2.gz	NMYZYAZJHLNJBG-YNAZAZDCSA-N	2	0	703.890	-0.801	10	0		KBAERP