smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(C=Nc2cccc(C(C)=O)c2)c([O-])c1	ZINC000005227587	181219270	/nfs/dbraw/zinc/21/92/70/181219270.db2.gz	QMMVKNMSOFNQHP-DEDYPNTBSA-N	-1	3	310.397	4.192	10	30		DIEEHM
C/C(=N\[O-])c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000019809193	182152488	/nfs/dbraw/zinc/15/24/88/182152488.db2.gz	PYEXHRZIAUAERB-GZTJUZNOSA-N	-1	3	320.186	4.226	10	30		DIEEHM
COc1cccc2sc(/N=C/c3cc(Cl)ccc3[O-])nc21	ZINC000048524517	563698501	/nfs/dbraw/zinc/69/85/01/563698501.db2.gz	UFIHBLPLTZVWOD-CAOOACKPSA-N	-1	3	318.785	4.415	10	30		DIEEHM
COc1cc(/C(C)=N/[O-])ccc1OCc1ccc(Cl)cc1	ZINC000019230550	182109323	/nfs/dbraw/zinc/10/93/23/182109323.db2.gz	PODZTVVLMMTERR-WOJGMQOQSA-N	-1	3	305.761	4.126	10	30		DIEEHM
O=C(/C=C\c1cc(Br)ccc1[O-])c1ccccc1	ZINC000033378723	182708409	/nfs/dbraw/zinc/70/84/09/182708409.db2.gz	FNYFFVOPARYGTR-VURMDHGXSA-N	-1	3	303.155	4.051	10	30		DIEEHM
O=C(Oc1c(Cl)cc(/C=N/[O-])cc1Cl)c1ccccc1	ZINC000253570590	333776271	/nfs/dbraw/zinc/77/62/71/333776271.db2.gz	NUUNNUZLTJOFGV-CAOOACKPSA-N	-1	3	310.136	4.021	10	30		DIEEHM
CC1(C)CCc2c([O-])ccc(C(=O)/C=C/c3ccc(O)cc3)c2O1	ZINC000028975484	563556753	/nfs/dbraw/zinc/55/67/53/563556753.db2.gz	SEDVPKQZRCGYNR-WEVVVXLNSA-N	-1	3	324.376	4.098	10	30		DIEEHM
[O-]/N=C(/c1ccccc1)c1ccc(/C(=N\O)c2ccccc2)cc1	ZINC000005515142	181252454	/nfs/dbraw/zinc/25/24/54/181252454.db2.gz	SIEFQSQPJSPKTI-WRBBJXAJSA-N	-1	3	316.360	4.140	10	30		DIEEHM
C/C(=N\[O-])c1ccc(OCc2ccccc2Br)cc1	ZINC000019809177	182152542	/nfs/dbraw/zinc/15/25/42/182152542.db2.gz	FEJFPFKIACUORS-GZTJUZNOSA-N	-1	3	320.186	4.226	10	30		DIEEHM
C/C(=N\[O-])c1cccc(OCc2ccc(Br)cc2)c1	ZINC000019809376	182152686	/nfs/dbraw/zinc/15/26/86/182152686.db2.gz	CIQJJEBSLYBFPU-GZTJUZNOSA-N	-1	3	320.186	4.226	10	30		DIEEHM
CCCCOc1ccc2c(c1)Cc1cc(N([O-])C(C)=O)ccc1-2	ZINC000029239137	182558134	/nfs/dbraw/zinc/55/81/34/182558134.db2.gz	GGGMXYLAYAZPNJ-UHFFFAOYSA-N	-1	3	311.381	4.179	10	30		DIEEHM
C=C(C)Cc1cc(C)cc(-n2nc3ccc(Cl)cc3n2)c1[O-]	ZINC000504469484	257132071	/nfs/dbraw/zinc/13/20/71/257132071.db2.gz	SLNPCKYEPPWHGO-UHFFFAOYSA-N	-1	3	313.788	4.207	10	30		DIEEHM
C=C[C@@]1(O)CC[C@H]2[C@@H]3CCc4c(F)c([O-])ccc4[C@H]3CC[C@@]21C	ZINC000584617801	337373160	/nfs/dbraw/zinc/37/31/60/337373160.db2.gz	RKPKTOAAFVDGCM-QRYOMUJSSA-N	-1	3	316.416	4.305	10	30		DIEEHM
Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2[O-])cc1	ZINC000005217233	181218608	/nfs/dbraw/zinc/21/86/08/181218608.db2.gz	ZSUBZRVGYKESBB-SOFGYWHQSA-N	-1	3	317.182	4.359	10	30		DIEEHM
CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1cccc([O-])c1	ZINC000016904311	182064006	/nfs/dbraw/zinc/06/40/06/182064006.db2.gz	YPGCRVARIRBMMT-UGZHYMOWSA-N	-1	3	324.405	4.016	10	30		DIEEHM
O=C(C1=C([O-])C(=Cc2ccc(Cl)cc2)CCC1)C(F)(F)F	ZINC000217020492	333389853	/nfs/dbraw/zinc/38/98/53/333389853.db2.gz	ZZYXFAGXPMUUHQ-ZJNQMXKESA-N	-1	3	316.706	4.224	10	30		DIEEHM
C=CCN=C([S-])NN=Cc1c(Cl)ccc(Cl)c1Cl	ZINC000006692240	181371059	/nfs/dbraw/zinc/37/10/59/181371059.db2.gz	QKHYANPVFUPYAU-OMCISZLKSA-N	-1	3	322.648	4.042	10	30		DIEEHM
C/C(=N\[O-])c1cccc(OCc2cccc(Br)c2)c1	ZINC000019809334	182152937	/nfs/dbraw/zinc/15/29/37/182152937.db2.gz	QKEAQDZENOFKQT-GZTJUZNOSA-N	-1	3	320.186	4.226	10	30		DIEEHM
Cc1ccc(C(=O)/C=C\c2cc(Br)ccc2[O-])cc1	ZINC000033378732	182707890	/nfs/dbraw/zinc/70/78/90/182707890.db2.gz	ZSUBZRVGYKESBB-VURMDHGXSA-N	-1	3	317.182	4.359	10	30		DIEEHM
CC(C)(C)OC(=O)Nc1ccc(-c2cc([O-])cc(C#N)c2)cc1	ZINC000065341716	184325436	/nfs/dbraw/zinc/32/54/36/184325436.db2.gz	XOOAVRUAOUHNJF-UHFFFAOYSA-N	-1	3	310.353	4.278	10	30		DIEEHM
CC(=O)c1ccc(N=Cc2cc(Br)ccc2[O-])cc1	ZINC000100482070	193799908	/nfs/dbraw/zinc/79/99/08/193799908.db2.gz	AVBACUOZMTULEC-MFOYZWKCSA-N	-1	3	318.170	4.108	10	30		DIEEHM
Cc1cccc(C(=O)/C=C\c2cc(Br)ccc2[O-])c1	ZINC000033378730	524160185	/nfs/dbraw/zinc/16/01/85/524160185.db2.gz	BEAVHQAFIPRDPS-ALCCZGGFSA-N	-1	3	317.182	4.359	10	30		DIEEHM
C/C(=N\[O-])c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1	ZINC000019984195	182173693	/nfs/dbraw/zinc/17/36/93/182173693.db2.gz	CLVYTUISCWEIFY-DJKKODMXSA-N	-1	3	323.179	4.444	10	30		DIEEHM
O=C(C1=C([O-])C(=Cc2ccc(Cl)cc2)CCC1)C(F)(F)F	ZINC000217020532	333389861	/nfs/dbraw/zinc/38/98/61/333389861.db2.gz	ZZYXFAGXPMUUHQ-OANVXVOSSA-N	-1	3	316.706	4.224	10	30		DIEEHM
C=C[C@@]1(O)CC[C@H]2[C@@H]3CCc4cc([O-])c(F)cc4[C@H]3CC[C@@]21C	ZINC000584617732	337373062	/nfs/dbraw/zinc/37/30/62/337373062.db2.gz	MOCNWSDADFHRAW-XIPNHXGNSA-N	-1	3	316.416	4.305	10	30		DIEEHM
C/C(=N\[O-])c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	ZINC000020024744	182180516	/nfs/dbraw/zinc/18/05/16/182180516.db2.gz	JWOBXDMBYFWUTE-DJKKODMXSA-N	-1	3	323.179	4.444	10	30		DIEEHM
N/C(=N\[O-])c1ccc(Sc2cc(Cl)ccc2Cl)cc1	ZINC000020557095	182231626	/nfs/dbraw/zinc/23/16/26/182231626.db2.gz	RSAWDIVSKWNVLI-UHFFFAOYSA-N	-1	3	313.209	4.239	10	30		DIEEHM
N/C(=N/[O-])c1c(Cl)cccc1Sc1ccccc1Cl	ZINC000052907831	183879758	/nfs/dbraw/zinc/87/97/58/183879758.db2.gz	ADKTXSHDRNFRAJ-UHFFFAOYSA-N	-1	3	313.209	4.239	10	30		DIEEHM
N#Cc1cc(-c2cc([O-])cc(OC(F)(F)F)c2)ccc1Cl	ZINC000065344272	184325865	/nfs/dbraw/zinc/32/58/65/184325865.db2.gz	CGRQPLHHXZYECR-UHFFFAOYSA-N	-1	3	313.662	4.483	10	30		DIEEHM
Brc1ccccc1C=N[N-]c1nc2ccccc2o1	ZINC000004965941	181180839	/nfs/dbraw/zinc/18/08/39/181180839.db2.gz	RCWXPSMXNMRUDU-CXUHLZMHSA-N	-1	3	316.158	4.036	10	30		DIEEHM
C/C(=N\[O-])c1ccc(OCc2cccc(Br)c2)cc1	ZINC000019809154	182152426	/nfs/dbraw/zinc/15/24/26/182152426.db2.gz	SNGZEDXQGQNSIO-GZTJUZNOSA-N	-1	3	320.186	4.226	10	30		DIEEHM
[O-]c1cc(O)ccc1/C=N/N(c1ccccc1)c1ccccc1	ZINC000005483041	181248582	/nfs/dbraw/zinc/24/85/82/181248582.db2.gz	ZGSKQUDGTVKUFS-XSFVSMFZSA-N	-1	3	304.349	4.270	10	30		DIEEHM