smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(C(=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O	ZINC000408834144	528408570	/nfs/dbraw/zinc/40/85/70/528408570.db2.gz	VEZJNMMQOVWZNO-LFIBNONCSA-N	-1	2	394.383	2.758	40	10		GFCBLM
Cc1cccc(N2C(=O)NC(=O)C(=CNc3cccc(C(=O)[O-])c3)C2=O)c1C	ZINC000016349990	204594474	/nfs/dbraw/zinc/59/44/74/204594474.db2.gz	QEDGCXGQEGYXNV-GDNBJRDFSA-N	-1	2	379.372	2.580	40	10		GFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)[O-])cc3)C2=O)c(C)c1	ZINC000016284857	207074192	/nfs/dbraw/zinc/07/41/92/207074192.db2.gz	FSOAKHNTXDYWAJ-GDNBJRDFSA-N	-1	2	379.372	2.580	40	10		GFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(=O)[O-])C2=O)c(C)c1	ZINC000016284871	207074406	/nfs/dbraw/zinc/07/44/06/207074406.db2.gz	PGDZIVQOUICVDK-UVTDQMKNSA-N	-1	2	379.372	2.580	40	10		GFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(=O)[O-])C2=O)cc1C	ZINC000100941769	136189267	/nfs/dbraw/zinc/18/92/67/136189267.db2.gz	XXSMDTMRNNWJST-GDNBJRDFSA-N	-1	2	379.372	2.580	40	10		GFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000409190776	231177065	/nfs/dbraw/zinc/17/70/65/231177065.db2.gz	QSZRLKPCYKIZIY-XDUBLRSXSA-N	-1	2	394.383	2.513	40	10		GFCBLM
O=C([O-])COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	ZINC000033330607	570645279	/nfs/dbraw/zinc/64/52/79/570645279.db2.gz	LYGQBWHPPUECBG-NTEUORMPSA-N	-1	2	384.319	2.796	40	10		GFCBLM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])ccc3O)C2=O)c1	ZINC000408895728	231126175	/nfs/dbraw/zinc/12/61/75/231126175.db2.gz	FJLDKECSLGMZCL-OQLLNIDSSA-N	-1	2	381.344	2.584	40	10		GFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000409190774	231177713	/nfs/dbraw/zinc/17/77/13/231177713.db2.gz	QSZRLKPCYKIZIY-KWWJGWKXSA-N	-1	2	394.383	2.513	40	10		GFCBLM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O	ZINC000408894272	231125933	/nfs/dbraw/zinc/12/59/33/231125933.db2.gz	BYPMVMCDZDBNKT-MDWZMJQESA-N	-1	2	387.735	2.620	40	10		GFCBLM
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000408894272	231125937	/nfs/dbraw/zinc/12/59/37/231125937.db2.gz	BYPMVMCDZDBNKT-MDWZMJQESA-N	-1	2	387.735	2.620	40	10		GFCBLM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)c1	ZINC000409188580	231176600	/nfs/dbraw/zinc/17/66/00/231176600.db2.gz	DWGRNTYEHIJMDA-XDUBLRSXSA-N	-1	2	394.383	2.513	40	10		GFCBLM
Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(Cl)c(C(=O)[O-])c2)C1=O	ZINC000408533763	534820943	/nfs/dbraw/zinc/82/09/43/534820943.db2.gz	PBEYXBPPDIRSQM-UKTHLTGXSA-N	-1	2	399.790	2.925	40	10		GFCBLM
O=C([O-])COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000059135118	570650199	/nfs/dbraw/zinc/65/01/99/570650199.db2.gz	YIWFANYATVMHFA-OQLLNIDSSA-N	-1	2	384.319	2.796	40	10		GFCBLM
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408905071	231128076	/nfs/dbraw/zinc/12/80/76/231128076.db2.gz	SQSRDOUGADKBSX-WUXMJOGZSA-N	-1	2	387.735	2.620	40	10		GFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(=O)[O-])C2=O)c(C)c1	ZINC000100958888	136189325	/nfs/dbraw/zinc/18/93/25/136189325.db2.gz	PGDZIVQOUICVDK-GXDHUFHOSA-N	-1	2	379.372	2.580	40	10		GFCBLM
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408941795	528641228	/nfs/dbraw/zinc/64/12/28/528641228.db2.gz	PRLYNGFDPRFSPU-SFQUDFHCSA-N	-1	2	394.383	2.840	40	10		GFCBLM
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(=O)[O-])C2=O)c1C	ZINC000016349993	570922890	/nfs/dbraw/zinc/92/28/90/570922890.db2.gz	DOBJBVQJPXOBSV-UVTDQMKNSA-N	-1	2	379.372	2.580	40	10		GFCBLM
CCOc1ccc(C(=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000408829719	528408699	/nfs/dbraw/zinc/40/86/99/528408699.db2.gz	OSSZAHAKJXIRGC-LFIBNONCSA-N	-1	2	394.383	2.758	40	10		GFCBLM
O=C([O-])c1cccc(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1	ZINC000408535582	534549992	/nfs/dbraw/zinc/54/99/92/534549992.db2.gz	TZNOMCBUPYQHQG-FMIVXFBMSA-N	-1	2	385.763	2.617	40	10		GFCBLM
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)[O-])cc3)C2=O)c1C	ZINC000016349988	221360896	/nfs/dbraw/zinc/36/08/96/221360896.db2.gz	JCNGJBZVKCNHHW-GDNBJRDFSA-N	-1	2	379.372	2.580	40	10		GFCBLM
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408896643	231125607	/nfs/dbraw/zinc/12/56/07/231125607.db2.gz	GTZWZUZVQZLQFG-KPKJPENVSA-N	-1	2	387.735	2.620	40	10		GFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)[O-])cc3)C2=O)c(C)c1	ZINC000100958893	136189367	/nfs/dbraw/zinc/18/93/67/136189367.db2.gz	FSOAKHNTXDYWAJ-XNTDXEJSSA-N	-1	2	379.372	2.580	40	10		GFCBLM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cccc([N+](=O)[O-])c3[O-])C2=O)c1	ZINC000408963606	231136775	/nfs/dbraw/zinc/13/67/75/231136775.db2.gz	CRZRRQUPOJJETN-NTEUORMPSA-N	-1	2	381.344	2.584	40	10		GFCBLM
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000408960178	231135139	/nfs/dbraw/zinc/13/51/39/231135139.db2.gz	DBUIANNKELRXPC-XYOKQWHBSA-N	-1	2	387.735	2.620	40	10		GFCBLM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)c1	ZINC000409188579	231176665	/nfs/dbraw/zinc/17/66/65/231176665.db2.gz	DWGRNTYEHIJMDA-KWWJGWKXSA-N	-1	2	394.383	2.513	40	10		GFCBLM
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1C(=O)[O-]	ZINC000010038283	136197140	/nfs/dbraw/zinc/19/71/40/136197140.db2.gz	LCAXVEPTQUEDOC-XNTDXEJSSA-N	-1	2	398.346	2.589	40	10		GFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(C(=O)[O-])c3)C2=O)c(C)c1	ZINC000016284868	570920715	/nfs/dbraw/zinc/92/07/15/570920715.db2.gz	CBOFCGNOEAUIQF-GDNBJRDFSA-N	-1	2	379.372	2.580	40	10		GFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(C(=O)[O-])c3)C2=O)c(C)c1	ZINC000100958892	136189319	/nfs/dbraw/zinc/18/93/19/136189319.db2.gz	CBOFCGNOEAUIQF-XNTDXEJSSA-N	-1	2	379.372	2.580	40	10		GFCBLM
CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000408935622	570686856	/nfs/dbraw/zinc/68/68/56/570686856.db2.gz	DFVKBTFRTBIBRK-FOWTUZBSSA-N	-1	2	394.383	2.840	40	10		GFCBLM