smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=C1C[C@]2(O)[C@@H](C[C@@]3(O)C(=O)C(C(=O)CC(C)C)=C([O-])[C@@]32O)C1(C)C	ZINC000014560035	571712392	/nfs/dbraw/zinc/71/23/92/571712392.db2.gz	WDCHYVUCXSBTMH-VJICWTENSA-N	-1	1	378.465	1.976	1	30	endogenous,in-man	GDEFMM
CC(C)=C1C[C@]2(O)[C@@H](C[C@@]3(O)C(=O)C(=C([O-])CC(C)C)C(=O)[C@@]32O)C1(C)C	ZINC000014560035	571712394	/nfs/dbraw/zinc/71/23/94/571712394.db2.gz	WDCHYVUCXSBTMH-VJICWTENSA-N	-1	1	378.465	1.976	1	30	endogenous,in-man	GDEFMM
CC(C)=C1C[C@@]2(O)[C@@H](C[C@@]3(O)C(=O)C(C(=O)CC(C)C)=C([O-])[C@]23O)C1(C)C	ZINC000014560030	571712185	/nfs/dbraw/zinc/71/21/85/571712185.db2.gz	WDCHYVUCXSBTMH-DJJZHVJBSA-N	-1	1	378.465	1.976	1	30	endogenous,in-man	GDEFMM
CC(C)=C1C[C@@]2(O)[C@@H](C[C@@]3(O)C(=O)C(=C([O-])CC(C)C)C(=O)[C@]23O)C1(C)C	ZINC000014560030	571712187	/nfs/dbraw/zinc/71/21/87/571712187.db2.gz	WDCHYVUCXSBTMH-DJJZHVJBSA-N	-1	1	378.465	1.976	1	30	endogenous,in-man	GDEFMM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(OCCCO[N+](=O)[O-])cc1	ZINC000095553887	208232634	/nfs/dbraw/zinc/23/26/34/208232634.db2.gz	AEONZYOSPPKOCV-UHFFFAOYSA-N	-1	1	375.403	1.656	1	30		GDEFMM
CCCCNC([O-])=NS(=O)(=O)c1ccc(OCCCO[N+](=O)[O-])cc1	ZINC000095553887	208232640	/nfs/dbraw/zinc/23/26/40/208232640.db2.gz	AEONZYOSPPKOCV-UHFFFAOYSA-N	-1	1	375.403	1.656	1	30		GDEFMM
CN1CCSC[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c([O-])c(=O)n1C	ZINC000014979241	207036820	/nfs/dbraw/zinc/03/68/20/207036820.db2.gz	RDPAQDWMABAMKG-ZDUSSCGKSA-N	-1	1	392.456	1.850	1	30		GDEFMM
CC(C)=C1C[C@@]2(O)[C@@H](C[C@@]3(O)C(=O)C(C(=O)CC(C)C)=C([O-])[C@@]23O)C1(C)C	ZINC000014560027	571712121	/nfs/dbraw/zinc/71/21/21/571712121.db2.gz	WDCHYVUCXSBTMH-RKTMXUFFSA-N	-1	1	378.465	1.976	1	30	endogenous,in-man	GDEFMM
CC(C)=C1C[C@@]2(O)[C@@H](C[C@@]3(O)C(=O)C(=C([O-])CC(C)C)C(=O)[C@@]23O)C1(C)C	ZINC000014560027	571712124	/nfs/dbraw/zinc/71/21/24/571712124.db2.gz	WDCHYVUCXSBTMH-RKTMXUFFSA-N	-1	1	378.465	1.976	1	30	endogenous,in-man	GDEFMM
CC(=O)Oc1ccccc1C(=O)[N-]c1c(C#N)[n+]([O-])c2cc(C)c(C)cc2[n+]1[O-]	ZINC000101733907	208399557	/nfs/dbraw/zinc/39/95/57/208399557.db2.gz	KBCCMHXZGXUMMA-UHFFFAOYSA-N	-1	1	392.371	1.773	1	30		GDEFMM
COc1ccc2c(c1)[n+]([O-])c(C#N)c([N-]C(=O)c1ccccc1OC(C)=O)[n+]2[O-]	ZINC000101729842	208398780	/nfs/dbraw/zinc/39/87/80/208398780.db2.gz	FPERYTMJQWGHNG-UHFFFAOYSA-N	-1	1	394.343	1.164	1	30		GDEFMM
CC(C)=C1C[C@]2(O)[C@@H](C[C@@]3(O)C(=O)C(C(=O)CC(C)C)=C([O-])[C@]32O)C1(C)C	ZINC000014560033	571712332	/nfs/dbraw/zinc/71/23/32/571712332.db2.gz	WDCHYVUCXSBTMH-CCARFGRDSA-N	-1	1	378.465	1.976	1	30	endogenous,in-man	GDEFMM
CC(C)=C1C[C@]2(O)[C@@H](C[C@@]3(O)C(=O)C(=C([O-])CC(C)C)C(=O)[C@]32O)C1(C)C	ZINC000014560033	571712335	/nfs/dbraw/zinc/71/23/35/571712335.db2.gz	WDCHYVUCXSBTMH-CCARFGRDSA-N	-1	1	378.465	1.976	1	30	endogenous,in-man	GDEFMM
C=CCOc1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@H]2C(=O)OC)cc1OC	ZINC000005543775	206228613	/nfs/dbraw/zinc/22/86/13/206228613.db2.gz	AZPFPGITHOVFNR-WRWLIDTKSA-N	-1	1	388.420	1.917	1	30		GDEFMM
CC(=O)Oc1ccccc1C(=O)[N-]c1c(C#N)[n+]([O-])c2cc(C)ccc2[n+]1[O-]	ZINC000101735326	208398925	/nfs/dbraw/zinc/39/89/25/208398925.db2.gz	TWDWTAZRTFFLJS-UHFFFAOYSA-N	-1	1	378.344	1.464	1	30		GDEFMM
CN1CCSC[C@@H]1c1nc(C(=O)NCc2ccc(F)cc2)c([O-])c(=O)n1C	ZINC000014979238	210139311	/nfs/dbraw/zinc/13/93/11/210139311.db2.gz	RDPAQDWMABAMKG-CYBMUJFWSA-N	-1	1	392.456	1.850	1	30		GDEFMM
C=CCOc1ccc([C@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@H]2C(=O)OC)cc1OC	ZINC000005543771	209141717	/nfs/dbraw/zinc/14/17/17/209141717.db2.gz	AZPFPGITHOVFNR-XAUMDUMWSA-N	-1	1	388.420	1.917	1	30		GDEFMM
COc1ccnc(NC([O-])=NS(=O)(=O)c2cc(NC=O)ccc2Cl)n1	ZINC000073198169	211125659	/nfs/dbraw/zinc/12/56/59/211125659.db2.gz	JLVLOXQUZMRKPI-UHFFFAOYSA-N	-1	1	385.789	1.422	1	30		GDEFMM
COc1ccnc(NC(=O)[N-]S(=O)(=O)c2cc(NC=O)ccc2Cl)n1	ZINC000073198169	211125661	/nfs/dbraw/zinc/12/56/61/211125661.db2.gz	JLVLOXQUZMRKPI-UHFFFAOYSA-N	-1	1	385.789	1.422	1	30		GDEFMM
COC(=O)[C@]1(O)C(c2ccc(O)cc2)=C([O-])C(=O)[C@]1(OC)c1ccc(O)cc1	ZINC000095562937	211276484	/nfs/dbraw/zinc/27/64/84/211276484.db2.gz	ZGRDFECVAARAPE-WOJBJXKFSA-N	-1	1	386.356	1.396	1	30		GDEFMM
O=C(CCCc1c[nH]c2ccccc12)NCC(=O)N(O)CCC[P@](=O)([O-])O	ZINC000013644075	210074290	/nfs/dbraw/zinc/07/42/90/210074290.db2.gz	WPUOWEOYBGYCKS-UHFFFAOYSA-N	-1	1	397.368	1.392	1	30		GDEFMM
C=CCOc1ccc([C@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@@H]2C(=O)OC)cc1OC	ZINC000031896560	212109002	/nfs/dbraw/zinc/10/90/02/212109002.db2.gz	AZPFPGITHOVFNR-RIFZZMRRSA-N	-1	1	388.420	1.917	1	30		GDEFMM
C=CCOc1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@@H]2C(=O)OC)cc1OC	ZINC000031896564	212109085	/nfs/dbraw/zinc/10/90/85/212109085.db2.gz	AZPFPGITHOVFNR-OXFYSEKESA-N	-1	1	388.420	1.917	1	30		GDEFMM
CC(C)CCNC(=O)[C@H](CC#Cc1ccc(F)cc1F)NC[P@](=O)([O-])O	ZINC000013779391	212097462	/nfs/dbraw/zinc/09/74/62/212097462.db2.gz	PHUXKOLFTVYGOR-INIZCTEOSA-N	-1	1	388.351	1.962	1	30		GDEFMM
CC(C)=C1C[C@]2(O)[C@H](C[C@@]3(O)C(=O)C(C(=O)CC(C)C)=C([O-])[C@@]32O)C1(C)C	ZINC000230066637	571852815	/nfs/dbraw/zinc/85/28/15/571852815.db2.gz	WDCHYVUCXSBTMH-ZQEFQCJFSA-N	-1	1	378.465	1.976	1	30	endogenous,in-man	GDEFMM
CC(C)=C1C[C@]2(O)[C@H](C[C@@]3(O)C(=O)C(=C([O-])CC(C)C)C(=O)[C@@]32O)C1(C)C	ZINC000230066637	571852818	/nfs/dbraw/zinc/85/28/18/571852818.db2.gz	WDCHYVUCXSBTMH-ZQEFQCJFSA-N	-1	1	378.465	1.976	1	30	endogenous,in-man	GDEFMM