smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCCn1nnnc1[C@H](CCC(=O)[O-])NC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000013559947	204495582	/nfs/dbraw/zinc/49/55/82/204495582.db2.gz	WONQKJUDEUBCNI-IUCAKERBSA-N	-3	0	397.348	-0.890	1	30		GBEFRL
C=CCNC(=O)CN(CC(=O)[O-])[C@@H]1CCCC[C@@H]1[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000022860210	209174417	/nfs/dbraw/zinc/17/44/17/209174417.db2.gz	GWNSLWNJAOEULA-OLZOCXBDSA-N	-2	0	385.417	-0.542	1	30		GBEFRL
C=CCNC(=O)CN(CC(=O)[O-])[C@H]1CCCC[C@@H]1[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000022860212	209175699	/nfs/dbraw/zinc/17/56/99/209175699.db2.gz	GWNSLWNJAOEULA-STQMWFEESA-N	-2	0	385.417	-0.542	1	30		GBEFRL
C=CCNC(=O)CN(CC(=O)[O-])[C@H]1CCCC[C@H]1[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000023478263	212106007	/nfs/dbraw/zinc/10/60/07/212106007.db2.gz	GWNSLWNJAOEULA-QWHCGFSZSA-N	-2	0	385.417	-0.542	1	30		GBEFRL
C=CCNC(=O)CN(CC(=O)[O-])[C@@H]1CCCC[C@H]1[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000023478265	206252317	/nfs/dbraw/zinc/25/23/17/206252317.db2.gz	GWNSLWNJAOEULA-CHWSQXEVSA-N	-2	0	385.417	-0.542	1	30		GBEFRL
CCCCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000028770954	212108717	/nfs/dbraw/zinc/10/87/17/212108717.db2.gz	GQWHVTJRYQMQQT-YNEHKIRRSA-N	-2	0	388.313	-0.164	1	30		GBEFRL
C=CCO[C@H]1[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](OC)O[C@H]1C	ZINC000029403706	212109855	/nfs/dbraw/zinc/10/98/55/212109855.db2.gz	BWKHJGUVWFTYAW-LOLPMWEVSA-N	-2	0	378.377	-0.675	1	30		GBEFRL
C=CCO[C@H]1[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](OC)O[C@H]1C	ZINC000029403711	209180152	/nfs/dbraw/zinc/18/01/52/209180152.db2.gz	BWKHJGUVWFTYAW-MBXMOIHESA-N	-2	0	378.377	-0.675	1	30		GBEFRL
C=CCO[C@@H]1[C@@H](C)O[C@@H](OC)[C@@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-]	ZINC000029403715	209181054	/nfs/dbraw/zinc/18/10/54/209181054.db2.gz	BWKHJGUVWFTYAW-GRDBIXFFSA-N	-2	0	378.377	-0.675	1	30		GBEFRL
C=CCO[C@@H]1[C@@H](C)O[C@H](OC)[C@@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-]	ZINC000029403719	209180903	/nfs/dbraw/zinc/18/09/03/209180903.db2.gz	BWKHJGUVWFTYAW-VFCFLDTKSA-N	-2	0	378.377	-0.675	1	30		GBEFRL
O=C([O-])C1=CC(=CC=[NH+][C@@H](CC2=CC(=O)C(=O)C=C2)C(=O)[O-])C[C@H](C(=O)[O-])N1	ZINC000040165533	571761423	/nfs/dbraw/zinc/76/14/23/571761423.db2.gz	DVOFEZJSDVPRON-CSOVXGQZSA-N	-2	0	388.332	-0.124	1	30	endogenous,in-man	GBEFRL
O=C([O-])C1=CC(=CC=[NH+][C@@H](CC2=CC(=O)C(=O)C=C2)C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000040165534	571761345	/nfs/dbraw/zinc/76/13/45/571761345.db2.gz	DVOFEZJSDVPRON-ZJQVBNTPSA-N	-2	0	388.332	-0.124	1	30	endogenous,in-man	GBEFRL
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCS)NC(=O)C[C@H](O)C(=O)[O-]	ZINC000040575502	205067882	/nfs/dbraw/zinc/06/78/82/205067882.db2.gz	FDTHEDCYAPBMNY-UPJWGTAASA-N	-2	0	398.437	-0.561	1	30		GBEFRL
O=C([O-])[C@H](O)CC(=O)N[C@H](CCS)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000040575506	210789255	/nfs/dbraw/zinc/78/92/55/210789255.db2.gz	FDTHEDCYAPBMNY-JHJVBQTASA-N	-2	0	398.437	-0.561	1	30		GBEFRL
C=CC[C@]1(COP(=O)([O-])[O-])O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049014435	212056978	/nfs/dbraw/zinc/05/69/78/212056978.db2.gz	ZILBAUMADCCNNY-OTMMVIPVSA-N	-2	0	387.289	-0.917	1	30		GBEFRL
C=CC[C@]1(COP(=O)([O-])[O-])O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049014438	206209428	/nfs/dbraw/zinc/20/94/28/206209428.db2.gz	ZILBAUMADCCNNY-FIDNZITISA-N	-2	0	387.289	-0.917	1	30		GBEFRL
C=C1CS[C@H]([C@H](NC(=O)CCCC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-])N=C1C(=O)[O-]	ZINC000058651052	206209787	/nfs/dbraw/zinc/20/97/87/206209787.db2.gz	JGKXEMYIHDYWCZ-JFUSQASVSA-N	-2	0	387.414	-0.317	1	30	in-vitro	GBEFRL
O=C([O-])C1=CC(=CC=[NH+][C@H](CC2=CC(=O)C(=O)C=C2)C(=O)[O-])C[C@H](C(=O)[O-])N1	ZINC000100364177	571803240	/nfs/dbraw/zinc/80/32/40/571803240.db2.gz	DVOFEZJSDVPRON-XMGCMAKZSA-N	-2	0	388.332	-0.124	1	30	endogenous,in-man	GBEFRL
O=C([O-])C1=CC(=CC=[NH+][C@H](CC2=CC(=O)C(=O)C=C2)C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000100364181	571803253	/nfs/dbraw/zinc/80/32/53/571803253.db2.gz	DVOFEZJSDVPRON-NIZNZAIPSA-N	-2	0	388.332	-0.124	1	30	endogenous,in-man	GBEFRL
C=CCO[C@@H]1[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](OC)O[C@H]1C	ZINC000169347319	212113304	/nfs/dbraw/zinc/11/33/04/212113304.db2.gz	BWKHJGUVWFTYAW-GENCIFFESA-N	-2	0	378.377	-0.675	1	30		GBEFRL