smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(=O)c3c(O)c(-c4ccc(O)cc4)coc2-3)[C@H](O)[C@H](O)[C@H]1O	ZINC000076945500	553654454	/nfs/dbraw/zinc/65/44/54/553654454.db2.gz	PELWZARZGNQRCH-XDUMEFLMSA-N	-1	2	518.427	0.076	40	0	in-vitro	KCABLM
C[C@H](O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)c1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000077300838	553660653	/nfs/dbraw/zinc/66/06/53/553660653.db2.gz	FYVRNHIXJROHRR-ZEWLMSFWSA-N	-1	2	548.570	0.567	40	0	in-vitro	KCABLM
C[C@@H](O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)c1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000077300841	553660573	/nfs/dbraw/zinc/66/05/73/553660573.db2.gz	FYVRNHIXJROHRR-BUMSZTMRSA-N	-1	2	548.570	0.567	40	0	in-vitro	KCABLM
C[C@H](O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000077300845	553660639	/nfs/dbraw/zinc/66/06/39/553660639.db2.gz	FYVRNHIXJROHRR-RWARDWQLSA-N	-1	2	548.570	0.567	40	0	in-vitro	KCABLM
C[C@@H](O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000077300849	553660579	/nfs/dbraw/zinc/66/05/79/553660579.db2.gz	FYVRNHIXJROHRR-XTSZBCFBSA-N	-1	2	548.570	0.567	40	0	in-vitro	KCABLM
O=C([O-])CC(=O)OC[C@H]1O[C@@H](Oc2ccc(=O)c3c(O)c(-c4ccc(O)cc4)coc2-3)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000100055391	554196181	/nfs/dbraw/zinc/19/61/81/554196181.db2.gz	PELWZARZGNQRCH-ZRYVYJFNSA-N	-1	2	518.427	0.076	40	0	in-vitro	KCABLM
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000150340616	571457831	/nfs/dbraw/zinc/45/78/31/571457831.db2.gz	ZILMZAQLFLKJPG-QORCZRPOSA-N	-1	2	711.729	0.350	40	0		KCABLM
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000150340616	571457830	/nfs/dbraw/zinc/45/78/30/571457830.db2.gz	ZILMZAQLFLKJPG-QORCZRPOSA-N	-1	2	711.729	0.350	40	0		KCABLM
CSCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O	ZINC000150343026	571458853	/nfs/dbraw/zinc/45/88/53/571458853.db2.gz	SFWYJJJJFSNJTO-CPHHOOCTSA-N	-1	2	740.817	0.216	40	0		KCABLM
CSCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O	ZINC000150343026	571458851	/nfs/dbraw/zinc/45/88/51/571458851.db2.gz	SFWYJJJJFSNJTO-CPHHOOCTSA-N	-1	2	740.817	0.216	40	0		KCABLM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000197997186	1066240179	/nfs/dbraw/zinc/24/01/79/1066240179.db2.gz	ZILMZAQLFLKJPG-ZGFBMJKBSA-N	-1	2	711.729	0.350	40	0		KCABLM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000197997186	1066240162	/nfs/dbraw/zinc/24/01/62/1066240162.db2.gz	ZILMZAQLFLKJPG-ZGFBMJKBSA-N	-1	2	711.729	0.350	40	0		KCABLM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000197997191	1066240118	/nfs/dbraw/zinc/24/01/18/1066240118.db2.gz	ZILMZAQLFLKJPG-VPBXCIAMSA-N	-1	2	711.729	0.350	40	0		KCABLM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000197997191	1066240105	/nfs/dbraw/zinc/24/01/05/1066240105.db2.gz	ZILMZAQLFLKJPG-VPBXCIAMSA-N	-1	2	711.729	0.350	40	0		KCABLM
CSCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(=O)CNC(=O)[C@@H](CC(C)C)NC1=O	ZINC000644163967	1066285136	/nfs/dbraw/zinc/28/51/36/1066285136.db2.gz	SFWYJJJJFSNJTO-BUYUYZSNSA-N	-1	2	740.817	0.216	40	0		KCABLM
CSCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(=O)CNC(=O)[C@@H](CC(C)C)NC1=O	ZINC000644163967	1066285122	/nfs/dbraw/zinc/28/51/22/1066285122.db2.gz	SFWYJJJJFSNJTO-BUYUYZSNSA-N	-1	2	740.817	0.216	40	0		KCABLM
CSCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O	ZINC000644163968	1066284952	/nfs/dbraw/zinc/28/49/52/1066284952.db2.gz	SFWYJJJJFSNJTO-DKLFHUDLSA-N	-1	2	740.817	0.216	40	0		KCABLM
CSCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O	ZINC000644163968	1066284944	/nfs/dbraw/zinc/28/49/44/1066284944.db2.gz	SFWYJJJJFSNJTO-DKLFHUDLSA-N	-1	2	740.817	0.216	40	0		KCABLM
CSCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(=O)CNC(=O)[C@@H](CC(C)C)NC1=O	ZINC000644163969	1066285213	/nfs/dbraw/zinc/28/52/13/1066285213.db2.gz	SFWYJJJJFSNJTO-MNAZRCARSA-N	-1	2	740.817	0.216	40	0		KCABLM
CSCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(=O)CNC(=O)[C@@H](CC(C)C)NC1=O	ZINC000644163969	1066285197	/nfs/dbraw/zinc/28/51/97/1066285197.db2.gz	SFWYJJJJFSNJTO-MNAZRCARSA-N	-1	2	740.817	0.216	40	0		KCABLM