smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)O[C@H]1[C@@H](C)O[C@@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005385816	570436995	/nfs/dbraw/zinc/43/69/95/570436995.db2.gz	BCNBZVDVTAVRER-KOXBNBCLSA-N	0	2	385.329	-1.356	40	0		GAABLN
CC(=O)O[C@@H]1[C@H](n2ncc(=O)[nH]c2=O)O[C@@H](C)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005385817	570436916	/nfs/dbraw/zinc/43/69/16/570436916.db2.gz	BCNBZVDVTAVRER-SCSNWIRCSA-N	0	2	385.329	-1.356	40	0		GAABLN
CC(=O)O[C@@H]1[C@@H](C)O[C@@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005385819	570436781	/nfs/dbraw/zinc/43/67/81/570436781.db2.gz	BCNBZVDVTAVRER-OAIQDXLASA-N	0	2	385.329	-1.356	40	0		GAABLN
CC(=O)O[C@@H]1[C@H](C)O[C@@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005385820	570436941	/nfs/dbraw/zinc/43/69/41/570436941.db2.gz	BCNBZVDVTAVRER-LSGQWTDKSA-N	0	2	385.329	-1.356	40	0		GAABLN
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Br)c(=O)[nH]1	ZINC000005544901	209601843	/nfs/dbraw/zinc/60/18/43/209601843.db2.gz	KJDPOGUTOZJGGF-DALOQIEPSA-N	0	2	382.167	-2.247	40	0		GAABLN
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Br)c(=O)[nH]1	ZINC000005544903	530072347	/nfs/dbraw/zinc/07/23/47/530072347.db2.gz	KJDPOGUTOZJGGF-NUPWSADLSA-N	0	2	382.167	-2.247	40	0		GAABLN
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Br)c(=O)[nH]1	ZINC000008652676	204281679	/nfs/dbraw/zinc/28/16/79/204281679.db2.gz	KJDPOGUTOZJGGF-AVIDFEGHSA-N	0	2	382.167	-1.835	40	0		GAABLN
O=C([O-])CC[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-]	ZINC000015721965	207055883	/nfs/dbraw/zinc/05/58/83/207055883.db2.gz	AJCRQOHDLCBHFA-SRVKXCTJSA-N	0	2	381.389	-1.377	40	0		GAABLN
O=C([O-])CC[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-]	ZINC000015721965	207055878	/nfs/dbraw/zinc/05/58/78/207055878.db2.gz	AJCRQOHDLCBHFA-SRVKXCTJSA-N	0	2	381.389	-1.377	40	0		GAABLN
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Br)c(=O)[nH]1	ZINC000017175376	207086494	/nfs/dbraw/zinc/08/64/94/207086494.db2.gz	KJDPOGUTOZJGGF-IRPHGTLLSA-N	0	2	382.167	-1.835	40	0		GAABLN
CC(=O)c1c(=O)cc(C)oc1NNS(=O)(=O)c1nn(C)c(=O)n(C)c1=O	ZINC000027526319	206015088	/nfs/dbraw/zinc/01/50/88/206015088.db2.gz	FMPQFIMQZJJJTR-UHFFFAOYSA-N	0	2	385.358	-1.751	40	0		GAABLN
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)C(F)(F)F)c(=O)[nH]1	ZINC000169748268	570473712	/nfs/dbraw/zinc/47/37/12/570473712.db2.gz	DWVVZCNIKDWTEY-DXTOWSMRSA-N	0	2	378.267	-2.001	40	0		GAABLN
O=c1[nH]c(=S)[nH]c(O)c1C(c1cccnc1)c1c(O)[nH]c(=S)[nH]c1=O	ZINC000223812019	530091089	/nfs/dbraw/zinc/09/10/89/530091089.db2.gz	FYHWCBKQMDQWSL-UHFFFAOYSA-N	0	2	377.407	-1.541	40	0		GAABLN