smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(Cl)cc1	ZINC000032109743	527081297	/nfs/dbraw/zinc/08/12/97/527081297.db2.gz	WCCNPLFRSOBQKM-ZROIWOOFSA-N	0	2	424.625	3.406	40	10		HGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)cc(C)cc3[N+](=O)[O-])C2=O)cc1	ZINC000408527533	557290194	/nfs/dbraw/zinc/29/01/94/557290194.db2.gz	FZTOVDUTBNWESS-LFIBNONCSA-N	0	2	424.413	3.189	40	10		HGCBLN
Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc(O)cc3)C2=O)ccc1Br	ZINC000408528103	557296455	/nfs/dbraw/zinc/29/64/55/557296455.db2.gz	FFHLUKMLIRNLPC-NTEUORMPSA-N	0	2	416.231	3.042	40	10		HGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cccnc4)c3C)C2=O)cc1	ZINC000408788308	560641797	/nfs/dbraw/zinc/64/17/97/560641797.db2.gz	CDUOQKWFOFUEAV-UDWIEESQSA-N	0	2	416.437	3.164	40	10		HGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC	ZINC000408802997	560642808	/nfs/dbraw/zinc/64/28/08/560642808.db2.gz	KEDWIEMTZKLEFG-OQLLNIDSSA-N	0	2	400.818	3.414	40	10		HGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1O	ZINC000408885911	560649894	/nfs/dbraw/zinc/64/98/94/560649894.db2.gz	GQWNFQFOFROGIV-RIYZIHGNSA-N	0	2	400.818	3.419	40	10		HGCBLN
COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	ZINC000409045294	560669324	/nfs/dbraw/zinc/66/93/24/560669324.db2.gz	GASFKJBSSGMALI-WUXMJOGZSA-N	0	2	407.209	3.374	40	10		HGCBLN
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1	ZINC000409047903	560669757	/nfs/dbraw/zinc/66/97/57/560669757.db2.gz	PYKDEDIECDQTER-VZUCSPMQSA-N	0	2	422.180	3.274	40	10		HGCBLN
CCCN1C(=O)C(=Cc2cc(Br)c(O)c(Br)c2)NC1=S	ZINC000409086925	560674846	/nfs/dbraw/zinc/67/48/46/560674846.db2.gz	BTWLBQSHQVMEQL-POHAHGRESA-N	0	2	420.126	3.385	40	10		HGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccccn1	ZINC000409246418	560701541	/nfs/dbraw/zinc/70/15/41/560701541.db2.gz	ICSZOYUMEBVFJX-FOWTUZBSSA-N	0	2	404.401	3.295	40	10		HGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc(F)c1	ZINC000409394191	560719598	/nfs/dbraw/zinc/71/95/98/560719598.db2.gz	WYHHWFUIKNKCRG-YBFXNURJSA-N	0	2	404.401	3.295	40	10		HGCBLN
COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc([N+](=O)[O-])c1O	ZINC000059135729	568700956	/nfs/dbraw/zinc/70/09/56/568700956.db2.gz	GAKQUBGNFIDAJJ-UXBLZVDNSA-N	0	2	417.374	3.120	40	10		HGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O	ZINC000002773510	132257739	/nfs/dbraw/zinc/25/77/39/132257739.db2.gz	PEMHJJPBCXPGKK-LFYBBSHMSA-N	0	2	407.209	3.374	40	10		HGCBLN
CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O	ZINC000408799803	560642245	/nfs/dbraw/zinc/64/22/45/560642245.db2.gz	LKCGCLDDOJLPNW-LDADJPATSA-N	0	2	410.426	3.159	40	10		HGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OC	ZINC000408857147	560647449	/nfs/dbraw/zinc/64/74/49/560647449.db2.gz	LDWNANAXIQSSCE-NTUHNPAUSA-N	0	2	404.781	3.163	40	10		HGCBLN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3O)C2=O)c1C	ZINC000408900216	560651180	/nfs/dbraw/zinc/65/11/80/560651180.db2.gz	UCIPOTYLCHYYKO-NTEUORMPSA-N	0	2	415.243	3.438	40	10		HGCBLN
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O	ZINC000409044820	560669311	/nfs/dbraw/zinc/66/93/11/560669311.db2.gz	DLKJCZRJQAHVOA-LFYBBSHMSA-N	0	2	422.180	3.274	40	10		HGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)C1=O	ZINC000409223500	560698918	/nfs/dbraw/zinc/69/89/18/560698918.db2.gz	ZSNGCTLPMYGAHU-DTQAZKPQSA-N	0	2	423.444	3.491	40	10		HGCBLN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1	ZINC000409248337	560701876	/nfs/dbraw/zinc/70/18/76/560701876.db2.gz	PXZAXKYZGWDNPN-LICLKQGHSA-N	0	2	418.365	3.225	40	10		HGCBLN
COc1cc(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1O	ZINC000059104708	568700532	/nfs/dbraw/zinc/70/05/32/568700532.db2.gz	ILCIFFUBYWVYOP-LFYBBSHMSA-N	0	2	416.773	3.290	40	10		HGCBLN
O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1I	ZINC000059475161	568707052	/nfs/dbraw/zinc/70/70/52/568707052.db2.gz	VICRICGSXXZHJU-UKTHLTGXSA-N	0	2	424.625	3.406	40	10		HGCBLN
Cc1ccc(NC(=S)N/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1C	ZINC000408526221	557287485	/nfs/dbraw/zinc/28/74/85/557287485.db2.gz	BCVVMBRWVUMWTC-LFIBNONCSA-N	0	2	408.483	3.065	40	10		HGCBLN
O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=CNc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408531547	557305854	/nfs/dbraw/zinc/30/58/54/557305854.db2.gz	KSOSTCYBETZJKN-CSKARUKUSA-N	0	2	421.196	3.480	40	10		HGCBLN
O=C(Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccco1	ZINC000408532975	557316134	/nfs/dbraw/zinc/31/61/34/557316134.db2.gz	IXUCEWHNCFDPFP-OWBHPGMISA-N	0	2	420.352	3.304	40	10		HGCBLN
CC(=O)Nc1cccc(NC=C2C(=O)NC(=O)N(c3cccc4ccccc43)C2=O)c1	ZINC000408537095	557337198	/nfs/dbraw/zinc/33/71/98/557337198.db2.gz	ZCPBCJLFYDQCCQ-CPNJWEJPSA-N	0	2	414.421	3.377	40	10		HGCBLN
COc1cc(/C=C2/C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(C)=O	ZINC000016321841	558786154	/nfs/dbraw/zinc/78/61/54/558786154.db2.gz	VXJSNIWKLPOXQJ-NVNXTCNLSA-N	0	2	420.343	3.101	40	10		HGCBLN
Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000408757886	558787972	/nfs/dbraw/zinc/78/79/72/558787972.db2.gz	ROYNXJQSMUROGX-MOSHPQCFSA-N	0	2	400.438	3.464	40	10		HGCBLN
C[C@@H](NC(=O)c1ccc(Nc2nncc(=O)[nH]2)cc1)c1ccc(N2CCCCC2)cc1	ZINC000019719197	558982954	/nfs/dbraw/zinc/98/29/54/558982954.db2.gz	WYRQGXWZGMQUNK-MRXNPFEDSA-N	0	2	418.501	3.390	40	10		HGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(OC)c1	ZINC000408813373	560643519	/nfs/dbraw/zinc/64/35/19/560643519.db2.gz	MZENOYACUCKDJZ-OVCLIPMQSA-N	0	2	400.818	3.332	40	10		HGCBLN
CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(C)C)C2=O)cc1	ZINC000408810721	560643984	/nfs/dbraw/zinc/64/39/84/560643984.db2.gz	UQSHXIAEWIPTRS-QGOAFFKASA-N	0	2	422.437	3.317	40	10		HGCBLN
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(O)cc3)C2=O)c1	ZINC000408966525	560658133	/nfs/dbraw/zinc/65/81/33/560658133.db2.gz	OZLIAQBTVFAYAM-DEDYPNTBSA-N	0	2	401.422	3.466	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000408965596	560659106	/nfs/dbraw/zinc/65/91/06/560659106.db2.gz	WFACGYQKHINGPB-CPNJWEJPSA-N	0	2	416.393	3.360	40	10		HGCBLN
CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3cccc(C)c3C)C1=O)OCO2	ZINC000409107728	560678800	/nfs/dbraw/zinc/67/88/00/560678800.db2.gz	UELHHQJMVOFRBH-NVNXTCNLSA-N	0	2	408.410	3.097	40	10		HGCBLN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3O)C2=O)cc1	ZINC000409337783	560712453	/nfs/dbraw/zinc/71/24/53/560712453.db2.gz	VRFIPYYITYRLGR-GDNBJRDFSA-N	0	2	415.243	3.384	40	10		HGCBLN
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(Cl)cc1	ZINC000001022717	560726875	/nfs/dbraw/zinc/72/68/75/560726875.db2.gz	WCCNPLFRSOBQKM-NTEUORMPSA-N	0	2	424.625	3.406	40	10		HGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(NC(C)=O)cc3)C2=O)cc1	ZINC000103110502	560733490	/nfs/dbraw/zinc/73/34/90/560733490.db2.gz	JDPBEEKDESJNQW-LDADJPATSA-N	0	2	408.414	3.463	40	10		HGCBLN
CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21	ZINC000013424402	560811281	/nfs/dbraw/zinc/81/12/81/560811281.db2.gz	BGZFVKMJVRHRBC-CXUHLZMHSA-N	0	2	403.394	3.056	40	10		HGCBLN
CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1	ZINC000223311195	568544863	/nfs/dbraw/zinc/54/48/63/568544863.db2.gz	SQPJYDCJUNJIKP-UHFFFAOYSA-N	0	2	401.513	3.290	40	10		HGCBLN
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3O)C2=O)c1	ZINC000059104518	568700384	/nfs/dbraw/zinc/70/03/84/568700384.db2.gz	IQHZTAAFYUXQQL-OQLLNIDSSA-N	0	2	412.398	3.402	40	10		HGCBLN
COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl	ZINC000108033546	569361208	/nfs/dbraw/zinc/36/12/08/569361208.db2.gz	UDEJSTWARQBXKQ-QPEQYQDCSA-N	0	2	421.236	3.007	40	10		HGCBLN
CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br	ZINC000001202177	132242160	/nfs/dbraw/zinc/24/21/60/132242160.db2.gz	YJGQGDLOHGXPNH-GXDHUFHOSA-N	0	2	414.259	3.182	40	10		HGCBLN
COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O	ZINC000005661029	132307430	/nfs/dbraw/zinc/30/74/30/132307430.db2.gz	ONDUHALCMXYKAK-NTUHNPAUSA-N	0	2	407.209	3.374	40	10		HGCBLN
COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3)C2=O)cc1	ZINC000408526606	557288136	/nfs/dbraw/zinc/28/81/36/557288136.db2.gz	BSFBYGVBDSBHGA-GDNBJRDFSA-N	0	2	416.231	3.037	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)c1	ZINC000408536014	557326995	/nfs/dbraw/zinc/32/69/95/557326995.db2.gz	VFJHCLLORJFYIQ-GZTJUZNOSA-N	0	2	406.442	3.209	40	10		HGCBLN
Cc1c(C)c([N+](=O)[O-])ccc1NC=C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O	ZINC000408535679	557333500	/nfs/dbraw/zinc/33/35/00/557333500.db2.gz	ZOQXAXRPIZFTHV-FMIVXFBMSA-N	0	2	414.805	3.444	40	10		HGCBLN
Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(C)c1	ZINC000408537172	557337715	/nfs/dbraw/zinc/33/77/15/557337715.db2.gz	ZJGKNVVVKHISFI-LFIBNONCSA-N	0	2	406.442	3.209	40	10		HGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	ZINC000408843856	560646258	/nfs/dbraw/zinc/64/62/58/560646258.db2.gz	HICJQDMUGHWYLF-MDWZMJQESA-N	0	2	419.206	3.263	40	10		HGCBLN
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3C)C2=O)c1	ZINC000408846459	560646539	/nfs/dbraw/zinc/64/65/39/560646539.db2.gz	NMRONKCPHYXWLV-LDADJPATSA-N	0	2	424.453	3.467	40	10		HGCBLN
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1O	ZINC000408889786	560650118	/nfs/dbraw/zinc/65/01/18/560650118.db2.gz	JCZRBUMHGPLRSC-DHZHZOJOSA-N	0	2	421.634	3.475	40	10		HGCBLN
CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)cc1	ZINC000408894245	560650481	/nfs/dbraw/zinc/65/04/81/560650481.db2.gz	BUKNXABOVKJOQE-ATVHPVEESA-N	0	2	410.426	3.246	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C2=O)cc1C	ZINC000409108184	560678814	/nfs/dbraw/zinc/67/88/14/560678814.db2.gz	VLDYRWFXFUTVEB-KGENOOAVSA-N	0	2	419.481	3.115	40	10		HGCBLN
CC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000106374707	569352643	/nfs/dbraw/zinc/35/26/43/569352643.db2.gz	RPDTXKBVMOOSEY-DHDCSXOGSA-N	0	2	418.327	3.297	40	10		HGCBLN
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OC(C)C	ZINC000033645352	569360265	/nfs/dbraw/zinc/36/02/65/569360265.db2.gz	ZWNMHCYOJCVPGH-YBEGLDIGSA-N	0	2	411.414	3.242	40	10		HGCBLN
CC(C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-]	ZINC000108259718	569361236	/nfs/dbraw/zinc/36/12/36/569361236.db2.gz	CVFCGOQEGQLGKW-DHDCSXOGSA-N	0	2	401.806	3.497	40	10		HGCBLN
Cc1ccccc1N1C(=O)NC(=O)C(=CNC(=O)Nc2cccc3ccccc32)C1=O	ZINC000408531190	557303019	/nfs/dbraw/zinc/30/30/19/557303019.db2.gz	NKYYXDKTGOONRH-GHRIWEEISA-N	0	2	414.421	3.437	40	10		HGCBLN
Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3cc(C)c(C)c([N+](=O)[O-])c3)C2=O)c1	ZINC000408533920	557318992	/nfs/dbraw/zinc/31/89/92/557318992.db2.gz	PNOFTEJOTIPMAV-MHWRWJLKSA-N	0	2	408.414	3.407	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc(Cl)cc3)C2=O)cc1C	ZINC000100947690	559142163	/nfs/dbraw/zinc/14/21/63/559142163.db2.gz	IUDOIJOLDCEZNJ-MHWRWJLKSA-N	0	2	412.833	3.245	40	10		HGCBLN
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Cl)c3)C2=O)c1	ZINC000408784775	560641384	/nfs/dbraw/zinc/64/13/84/560641384.db2.gz	XGYKESQFLCDELV-DHDCSXOGSA-N	0	2	400.818	3.414	40	10		HGCBLN
CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000408848985	560647032	/nfs/dbraw/zinc/64/70/32/560647032.db2.gz	XOFREFCUNQAUJM-RQZCQDPDSA-N	0	2	408.410	3.117	40	10		HGCBLN
CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408934462	560655873	/nfs/dbraw/zinc/65/58/73/560655873.db2.gz	AXQNFEYEPVXXPI-XNTDXEJSSA-N	0	2	415.789	3.313	40	10		HGCBLN
COc1ccc(-n2cccc2C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000408953069	560657114	/nfs/dbraw/zinc/65/71/14/560657114.db2.gz	OEPUBQPWGQESRC-XSFVSMFZSA-N	0	2	417.421	3.161	40	10		HGCBLN
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c1	ZINC000408961323	560658195	/nfs/dbraw/zinc/65/81/95/560658195.db2.gz	RNOGBJSKJGIDMH-XSFVSMFZSA-N	0	2	405.454	3.352	40	10		HGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCC3)cc2F)C1=O	ZINC000409227138	560698173	/nfs/dbraw/zinc/69/81/73/560698173.db2.gz	PGAGSIKSWSDVBF-GHRIWEEISA-N	0	2	423.444	3.491	40	10		HGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccccn1	ZINC000409248774	560701813	/nfs/dbraw/zinc/70/18/13/560701813.db2.gz	QLEDDJCKTCNSEI-WOJGMQOQSA-N	0	2	404.401	3.295	40	10		HGCBLN
Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)o2)cc1[N+](=O)[O-]	ZINC000409248806	560701854	/nfs/dbraw/zinc/70/18/54/560701854.db2.gz	QXMHPTSFVVXKHT-MHWRWJLKSA-N	0	2	418.365	3.225	40	10		HGCBLN
CC[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000107931218	569361030	/nfs/dbraw/zinc/36/10/30/569361030.db2.gz	AVFAGHOXUPNGJK-ATTDUZETSA-N	0	2	411.414	3.242	40	10		HGCBLN
CCc1ccccc1N1C(=O)NC(=O)C(=CNc2cc([N+](=O)[O-])ccc2Cl)C1=O	ZINC000408532930	557315952	/nfs/dbraw/zinc/31/59/52/557315952.db2.gz	NDDJCIVRQCLJRZ-JLHYYAGUSA-N	0	2	414.805	3.389	40	10		HGCBLN
CCc1ccccc1N1C(=O)NC(=O)C(=CNc2cc(C)c([N+](=O)[O-])cc2C)C1=O	ZINC000408534270	557320493	/nfs/dbraw/zinc/32/04/93/557320493.db2.gz	QAJXPBTYQYGACV-RVDMUPIBSA-N	0	2	408.414	3.353	40	10		HGCBLN
CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)S1	ZINC000408755089	557817282	/nfs/dbraw/zinc/81/72/82/557817282.db2.gz	PRGVELDPWFRWAT-WTKPLQERSA-N	0	2	420.082	3.024	40	10		HGCBLN
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)c(Cl)c1	ZINC000015012459	558700724	/nfs/dbraw/zinc/70/07/24/558700724.db2.gz	YBDBHZRGLFIUFV-GHXNOFRVSA-N	0	2	421.634	3.475	40	10		HGCBLN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc([N+](=O)[O-])cc3Cl)C2=O)c1	ZINC000101124714	559167601	/nfs/dbraw/zinc/16/76/01/559167601.db2.gz	BQGIIWMOZOIYKO-LCYFTJDESA-N	0	2	400.778	3.135	40	10		HGCBLN
COc1cc(N2C(=O)NC(=O)C(=Cc3ccc(F)cc3)C2=O)c(OC)cc1Cl	ZINC000408767904	560630190	/nfs/dbraw/zinc/63/01/90/560630190.db2.gz	QWOMTNCPKFVILH-KPKJPENVSA-N	0	2	404.781	3.163	40	10		HGCBLN
COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000408815977	560644435	/nfs/dbraw/zinc/64/44/35/560644435.db2.gz	SBDSIOKWUUCJRI-LDADJPATSA-N	0	2	417.377	3.423	40	10		HGCBLN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(O)cc3)C2=O)c1C	ZINC000409022640	560667055	/nfs/dbraw/zinc/66/70/55/560667055.db2.gz	FBDWINNBNFBKDS-CPNJWEJPSA-N	0	2	401.422	3.466	40	10		HGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000409393913	560719569	/nfs/dbraw/zinc/71/95/69/560719569.db2.gz	TTZHKKZRKCOKIA-XDHOZWIPSA-N	0	2	404.401	3.295	40	10		HGCBLN
COC(=O)c1ccc(C(=O)OC)c(N=C(C)C2C(C)=NN(c3ccccc3)C2=O)c1	ZINC000112127559	560776871	/nfs/dbraw/zinc/77/68/71/560776871.db2.gz	YTTGAUDUHJGVEQ-UYRXBGFRSA-N	0	2	407.426	3.368	40	10		HGCBLN
COC(=O)c1ccc(C(=O)OC)c(N=C(C)c2c(C)[nH]n(-c3ccccc3)c2=O)c1	ZINC000112127559	560776873	/nfs/dbraw/zinc/77/68/73/560776873.db2.gz	YTTGAUDUHJGVEQ-UYRXBGFRSA-N	0	2	407.426	3.368	40	10		HGCBLN
Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(Br)cc2)C1=O	ZINC000408539363	557359840	/nfs/dbraw/zinc/35/98/40/557359840.db2.gz	VYCVFASLZGQWQH-GXDHUFHOSA-N	0	2	400.232	3.336	40	10		HGCBLN
CN(C)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000016186545	558776162	/nfs/dbraw/zinc/77/61/62/558776162.db2.gz	NGLYZGKPYARTEU-JYRVWZFOSA-N	0	2	421.240	3.429	40	10		HGCBLN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1	ZINC000016282057	558783351	/nfs/dbraw/zinc/78/33/51/558783351.db2.gz	VYGCLFDXXLEMQY-YBEGLDIGSA-N	0	2	415.243	3.433	40	10		HGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC	ZINC000408768911	560638907	/nfs/dbraw/zinc/63/89/07/560638907.db2.gz	LTRYZPSGLRBKKV-XNTDXEJSSA-N	0	2	400.818	3.414	40	10		HGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Cl)c3)C2=O)cc1	ZINC000408780342	560640975	/nfs/dbraw/zinc/64/09/75/560640975.db2.gz	XQGRNQFCKVWSQC-GDNBJRDFSA-N	0	2	400.818	3.414	40	10		HGCBLN
CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000408806053	560643344	/nfs/dbraw/zinc/64/33/44/560643344.db2.gz	AKZJZOSEUBDPTM-OQLLNIDSSA-N	0	2	415.789	3.313	40	10		HGCBLN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000408807989	560643619	/nfs/dbraw/zinc/64/36/19/560643619.db2.gz	IQGSOAQKIUKKJE-OQLLNIDSSA-N	0	2	400.818	3.414	40	10		HGCBLN
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC	ZINC000408815798	560644475	/nfs/dbraw/zinc/64/44/75/560644475.db2.gz	UONGAEFIFMLEGS-SFQUDFHCSA-N	0	2	410.426	3.159	40	10		HGCBLN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1	ZINC000408900244	560651196	/nfs/dbraw/zinc/65/11/96/560651196.db2.gz	XQKXUNVWYACYNB-GDNBJRDFSA-N	0	2	415.243	3.433	40	10		HGCBLN
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2	ZINC000409199182	560689737	/nfs/dbraw/zinc/68/97/37/560689737.db2.gz	BSWYQRRWXLGOGN-VZUCSPMQSA-N	0	2	405.193	3.389	40	10		HGCBLN
COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1	ZINC000409237795	560699411	/nfs/dbraw/zinc/69/94/11/560699411.db2.gz	JNDOXIZJGHDORD-GXDHUFHOSA-N	0	2	400.818	3.332	40	10		HGCBLN
Cc1ccc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-]	ZINC000000831646	557095534	/nfs/dbraw/zinc/09/55/34/557095534.db2.gz	AKWMPYUACDSPOF-RIYZIHGNSA-N	0	2	402.204	3.127	40	10		HGCBLN
CCc1ccccc1N1C(=O)NC(=O)C(=CNC(=O)Nc2ccc(Cl)cc2)C1=O	ZINC000408528945	557293990	/nfs/dbraw/zinc/29/39/90/557293990.db2.gz	GKXAEJFWKIEZEV-RVDMUPIBSA-N	0	2	412.833	3.191	40	10		HGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)CC(C)(C)O4)C2=O)cc1	ZINC000408710792	557739260	/nfs/dbraw/zinc/73/92/60/557739260.db2.gz	KSXILCCVOBJVSX-LDADJPATSA-N	0	2	406.438	3.465	40	10		HGCBLN
COc1cc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1O	ZINC000016195032	558777866	/nfs/dbraw/zinc/77/78/66/558777866.db2.gz	YLDAHCGVPWIFRG-XGICHPGQSA-N	0	2	417.761	3.469	40	10		HGCBLN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	ZINC000408773086	560639285	/nfs/dbraw/zinc/63/92/85/560639285.db2.gz	SPMHSXAKKDYADH-XNTDXEJSSA-N	0	2	400.818	3.414	40	10		HGCBLN
CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC	ZINC000408819640	560645359	/nfs/dbraw/zinc/64/53/59/560645359.db2.gz	ZUQWUWHTHGFJLS-RIYZIHGNSA-N	0	2	416.817	3.119	40	10		HGCBLN
COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	ZINC000409058714	560670794	/nfs/dbraw/zinc/67/07/94/560670794.db2.gz	SQJSDPLIXFVMAI-NTUHNPAUSA-N	0	2	407.209	3.374	40	10		HGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1O	ZINC000409246958	560701653	/nfs/dbraw/zinc/70/16/53/560701653.db2.gz	LQVUTKLGQLIWOR-KPKJPENVSA-N	0	2	416.817	3.038	40	10		HGCBLN
COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000409249529	560702010	/nfs/dbraw/zinc/70/20/10/560702010.db2.gz	UPGNOMQMCFLVNY-XMHGGMMESA-N	0	2	405.454	3.352	40	10		HGCBLN
COc1ccc(/C=C2\C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-]	ZINC000001049708	560726884	/nfs/dbraw/zinc/72/68/84/560726884.db2.gz	ARDYUBMQYGICJQ-NTUHNPAUSA-N	0	2	407.304	3.084	40	10		HGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1O	ZINC000006354863	560741284	/nfs/dbraw/zinc/74/12/84/560741284.db2.gz	HVTZPXVHJWXMSG-MDWZMJQESA-N	0	2	400.818	3.419	40	10		HGCBLN
CC1=NN(c2cccc(Cl)c2)C(=O)C1C=Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-]	ZINC000100958921	559142292	/nfs/dbraw/zinc/14/22/92/559142292.db2.gz	ADRZMZZMWSZBNA-WQLSENKSSA-N	0	2	412.793	3.136	40	10		HGCBLN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1O	ZINC000408893103	560651044	/nfs/dbraw/zinc/65/10/44/560651044.db2.gz	FMPMQFWOEUQOKH-NTUHNPAUSA-N	0	2	421.634	3.475	40	10		HGCBLN
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Cl)cc1Cl	ZINC000408949704	560656716	/nfs/dbraw/zinc/65/67/16/560656716.db2.gz	IQORNRPTRXNNEO-LFYBBSHMSA-N	0	2	405.193	3.389	40	10		HGCBLN
COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Cl)c3C)C1=O)OCO2	ZINC000409238947	560699672	/nfs/dbraw/zinc/69/96/72/560699672.db2.gz	XJVIWPANZCJIBG-WUXMJOGZSA-N	0	2	414.801	3.052	40	10		HGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)c(Cl)c2)C1=O	ZINC000409232522	560700520	/nfs/dbraw/zinc/70/05/20/560700520.db2.gz	QPBGDNBLXIKBTF-JLHYYAGUSA-N	0	2	400.818	3.414	40	10		HGCBLN
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1OC	ZINC000409243326	560702769	/nfs/dbraw/zinc/70/27/69/560702769.db2.gz	XPQSGQDUKPJURT-JLHYYAGUSA-N	0	2	400.818	3.332	40	10		HGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1[N+](=O)[O-]	ZINC000005727494	568935933	/nfs/dbraw/zinc/93/59/33/568935933.db2.gz	NWMGPTIOEPVSKL-MHWRWJLKSA-N	0	2	409.398	3.393	40	10		HGCBLN
CN(C)c1ccc(-n2cccc2/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1	ZINC000009265006	132337962	/nfs/dbraw/zinc/33/79/62/132337962.db2.gz	JALDXYGRCHIKQP-ZHZULCJRSA-N	0	2	418.428	3.349	40	10		HGCBLN
Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3c4nsnc4ccc3C)C2=O)c1	ZINC000408534973	557313416	/nfs/dbraw/zinc/31/34/16/557313416.db2.gz	XARIPCNNWQPMTJ-UKTHLTGXSA-N	0	2	407.455	3.195	40	10		HGCBLN
CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(=O)[nH]1	ZINC000017021133	558812050	/nfs/dbraw/zinc/81/20/50/558812050.db2.gz	LEARIZDNZMQESK-FMQUCBEESA-N	0	2	423.505	3.159	40	10		HGCBLN
NC(=O)NC1=CC(=O)C=CC1=NNc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000104286526	559159873	/nfs/dbraw/zinc/15/98/73/559159873.db2.gz	FMEWCSJBOPKQFH-FCQUAONHSA-N	0	2	412.431	3.494	40	10		HGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC	ZINC000408800792	560642258	/nfs/dbraw/zinc/64/22/58/560642258.db2.gz	RAMNXRFDMVCFOE-RIYZIHGNSA-N	0	2	400.818	3.332	40	10		HGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(Cl)c3)C2=O)cc1	ZINC000409044263	560669352	/nfs/dbraw/zinc/66/93/52/560669352.db2.gz	VAZLBOCGSXFZTQ-WUXMJOGZSA-N	0	2	407.209	3.374	40	10		HGCBLN
CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S1	ZINC000409090482	560675306	/nfs/dbraw/zinc/67/53/06/560675306.db2.gz	PRGVELDPWFRWAT-RUDMXATFSA-N	0	2	420.082	3.024	40	10		HGCBLN
Cc1ccc(NC(=S)N/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1	ZINC000408526912	557288353	/nfs/dbraw/zinc/28/83/53/557288353.db2.gz	CRIWWKZNUCBVGQ-GZTJUZNOSA-N	0	2	422.510	3.374	40	10		HGCBLN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000408811813	560644043	/nfs/dbraw/zinc/64/40/43/560644043.db2.gz	WJGYYYDECIJOCO-RIYZIHGNSA-N	0	2	415.789	3.313	40	10		HGCBLN
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1c(O)ccc2ccccc12	ZINC000408880886	560649359	/nfs/dbraw/zinc/64/93/59/560649359.db2.gz	JHFRXDNCIQHBCM-GZTJUZNOSA-N	0	2	403.350	3.120	40	10		HGCBLN
Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(O)cc2)C1=O	ZINC000408900785	560651222	/nfs/dbraw/zinc/65/12/22/560651222.db2.gz	UZNWZRBJFJNBAQ-ZROIWOOFSA-N	0	2	401.216	3.130	40	10		HGCBLN
Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3O)C2=O)c1	ZINC000408897419	560651569	/nfs/dbraw/zinc/65/15/69/560651569.db2.gz	WUSKNSVUWUZMRT-NTEUORMPSA-N	0	2	415.243	3.438	40	10		HGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccccc1F	ZINC000409391145	560718832	/nfs/dbraw/zinc/71/88/32/560718832.db2.gz	HQJPDDGSQWQGMH-SFQUDFHCSA-N	0	2	404.401	3.295	40	10		HGCBLN
CS(=O)(=O)Nc1cc(Br)c(O)c(Br)c1Br	ZINC000035686180	569050446	/nfs/dbraw/zinc/05/04/46/569050446.db2.gz	HWARDTLWKURHOV-UHFFFAOYSA-N	0	2	423.908	3.051	40	10		HGCBLN
CNS(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccc(C)c(Cl)c3)c2=O)cc1	ZINC000408527988	557286200	/nfs/dbraw/zinc/28/62/00/557286200.db2.gz	DTQCSJQBETVBPX-BOPFTXTBSA-N	0	2	418.906	3.275	40	10		HGCBLN
CCc1cc([N+](=O)[O-])ccc1NC=C1C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O	ZINC000408535538	557333193	/nfs/dbraw/zinc/33/31/93/557333193.db2.gz	TWHGNMSJSYDZGY-LFIBNONCSA-N	0	2	408.414	3.353	40	10		HGCBLN
O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(I)c1	ZINC000000859656	559290680	/nfs/dbraw/zinc/29/06/80/559290680.db2.gz	PXFRVWNUHIQTIA-NTEUORMPSA-N	0	2	424.625	3.406	40	10		HGCBLN
COc1cc(N2C(=O)NC(=O)C(=Cc3ccc(C)cc3)C2=O)c(OC)cc1Cl	ZINC000408778071	560640705	/nfs/dbraw/zinc/64/07/05/560640705.db2.gz	ADFXUJNQIZIORY-MDWZMJQESA-N	0	2	400.818	3.332	40	10		HGCBLN
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	ZINC000408845855	560646432	/nfs/dbraw/zinc/64/64/32/560646432.db2.gz	LUOUGUYCXFNMAE-VZUCSPMQSA-N	0	2	405.193	3.389	40	10		HGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1	ZINC000408962481	560658540	/nfs/dbraw/zinc/65/85/40/560658540.db2.gz	YNVFQTVXBKVGBE-HMMYKYKNSA-N	0	2	405.454	3.352	40	10		HGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Br)o2)C1=O	ZINC000409232341	560700560	/nfs/dbraw/zinc/70/05/60/560700560.db2.gz	QDTMFDXOIRBGBZ-PKNBQFBNSA-N	0	2	405.204	3.107	40	10		HGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=CN=c3[nH]c4ccc(C)cc4s3)C2=O)cc1	ZINC000408528176	571308941	/nfs/dbraw/zinc/30/89/41/571308941.db2.gz	FKMNVQYHZMQACR-RVDMUPIBSA-N	0	2	422.466	3.582	40	10		HGCBLN
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(=O)c2ccco2)C1=O	ZINC000408530777	557297321	/nfs/dbraw/zinc/29/73/21/557297321.db2.gz	FUMJGLZIQAOVJS-SSZFMOIBSA-N	0	2	416.389	3.474	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1C	ZINC000408535642	557333512	/nfs/dbraw/zinc/33/35/12/557333512.db2.gz	UCGDQHKSAPUTRI-NTEUORMPSA-N	0	2	414.805	3.444	40	10		HGCBLN
COc1ccc(NC=C2C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)c([N+](=O)[O-])c1	ZINC000408537312	557338539	/nfs/dbraw/zinc/33/85/39/557338539.db2.gz	ZXTVJWXBOMYYDO-XNTDXEJSSA-N	0	2	424.413	3.107	40	10		HGCBLN
CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(=O)[nH]1	ZINC000104090681	559157902	/nfs/dbraw/zinc/15/79/02/559157902.db2.gz	LEARIZDNZMQESK-VXPUYCOJSA-N	0	2	423.505	3.159	40	10		HGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OC(C)C	ZINC000408814753	560645207	/nfs/dbraw/zinc/64/52/07/560645207.db2.gz	SCYUPZKCSXIGMK-GZTJUZNOSA-N	0	2	410.426	3.245	40	10		HGCBLN
COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	ZINC000408850629	560647183	/nfs/dbraw/zinc/64/71/83/560647183.db2.gz	PUEKYMKZALKDSH-NTUHNPAUSA-N	0	2	404.781	3.163	40	10		HGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(OC)c3)C2=O)cc1	ZINC000408872011	560649020	/nfs/dbraw/zinc/64/90/20/560649020.db2.gz	JAZCGCFNYLRSEL-LICLKQGHSA-N	0	2	400.818	3.414	40	10		HGCBLN
Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)c1	ZINC000408890233	560650182	/nfs/dbraw/zinc/65/01/82/560650182.db2.gz	QCZOVCXKOIADAF-MDWZMJQESA-N	0	2	415.243	3.438	40	10		HGCBLN
CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OC)C2=O)cc1	ZINC000408896072	560650713	/nfs/dbraw/zinc/65/07/13/560650713.db2.gz	GOAYQVJKVKGFPX-PDGQHHTCSA-N	0	2	410.426	3.159	40	10		HGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1O	ZINC000408891761	560650863	/nfs/dbraw/zinc/65/08/63/560650863.db2.gz	UXJDZKHNWBBORP-NTUHNPAUSA-N	0	2	400.818	3.337	40	10		HGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC	ZINC000408912406	560652529	/nfs/dbraw/zinc/65/25/29/560652529.db2.gz	FULBTFKSBJFGKJ-AWNIVKPZSA-N	0	2	404.781	3.163	40	10		HGCBLN
CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(OC)c1	ZINC000408914226	560653750	/nfs/dbraw/zinc/65/37/50/560653750.db2.gz	OOKBAJXVXGICOB-WOJGMQOQSA-N	0	2	411.433	3.347	40	10		HGCBLN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000409005776	560664555	/nfs/dbraw/zinc/66/45/55/560664555.db2.gz	VSERDXNQBGYECQ-JXAWBTAJSA-N	0	2	420.425	3.252	40	10		HGCBLN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C2=O)cc1	ZINC000409070361	560673189	/nfs/dbraw/zinc/67/31/89/560673189.db2.gz	FQHKQFAUQRKZSR-RCCKNPSSSA-N	0	2	419.481	3.060	40	10		HGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cccn2-c2ccc(O)cc2)C1=O	ZINC000409221999	560698854	/nfs/dbraw/zinc/69/88/54/560698854.db2.gz	ASELGHQKKYMUOU-NBVRZTHBSA-N	0	2	417.421	3.248	40	10		HGCBLN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)o1	ZINC000409393884	560719527	/nfs/dbraw/zinc/71/95/27/560719527.db2.gz	SVZUVWHDGKGUKR-BOPFTXTBSA-N	0	2	418.365	3.225	40	10		HGCBLN
COC(=O)Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1cccc(OC)c1OC	ZINC000017088224	560863232	/nfs/dbraw/zinc/86/32/32/560863232.db2.gz	CKXHGDUQOZPSAM-ZHZULCJRSA-N	0	2	409.442	3.356	40	10		HGCBLN
Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c([N+](=O)[O-])c1	ZINC000408537302	557338467	/nfs/dbraw/zinc/33/84/67/557338467.db2.gz	ZWGSALHKANAZDZ-PKNBQFBNSA-N	0	2	400.778	3.135	40	10		HGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)cc3C)C2=O)cc1	ZINC000408548010	557370795	/nfs/dbraw/zinc/37/07/95/557370795.db2.gz	BSQMVDKGENADHY-GZTJUZNOSA-N	0	2	410.426	3.077	40	10		HGCBLN
CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(=O)[nH]1	ZINC000017021148	558812009	/nfs/dbraw/zinc/81/20/09/558812009.db2.gz	UXQFJFOXPXQOSD-QURGRASLSA-N	0	2	417.476	3.098	40	10		HGCBLN
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccnc1	ZINC000408776022	560639064	/nfs/dbraw/zinc/63/90/64/560639064.db2.gz	MITOFAFDMXWDOY-UDWIEESQSA-N	0	2	400.438	3.464	40	10		HGCBLN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC	ZINC000408797767	560642040	/nfs/dbraw/zinc/64/20/40/560642040.db2.gz	CTFARTDBQJUQFE-JLHYYAGUSA-N	0	2	400.818	3.414	40	10		HGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC	ZINC000408802831	560642792	/nfs/dbraw/zinc/64/27/92/560642792.db2.gz	HZQOXSFAHNQOIH-NTEUORMPSA-N	0	2	400.818	3.414	40	10		HGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OC	ZINC000408813401	560643643	/nfs/dbraw/zinc/64/36/43/560643643.db2.gz	NVSMADGEPAYUHD-RIYZIHGNSA-N	0	2	400.818	3.332	40	10		HGCBLN
CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	ZINC000408815316	560644252	/nfs/dbraw/zinc/64/42/52/560644252.db2.gz	PZXHSDUWTXNSLE-OQLLNIDSSA-N	0	2	400.818	3.499	40	10		HGCBLN
CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)cc1	ZINC000408816319	560644391	/nfs/dbraw/zinc/64/43/91/560644391.db2.gz	TYEZFVUGWFINPD-CPNJWEJPSA-N	0	2	422.437	3.317	40	10		HGCBLN
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccccc3OC)C2=O)c1	ZINC000408858929	560647882	/nfs/dbraw/zinc/64/78/82/560647882.db2.gz	RNTMDIZIVCFEMV-FOWTUZBSSA-N	0	2	410.426	3.159	40	10		HGCBLN
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1	ZINC000408879263	560649232	/nfs/dbraw/zinc/64/92/32/560649232.db2.gz	CMXLGKUXFDZNQY-CXUHLZMHSA-N	0	2	415.243	3.433	40	10		HGCBLN
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1	ZINC000408874529	560649243	/nfs/dbraw/zinc/64/92/43/560649243.db2.gz	DDZZDLYBCFFWRR-CXUHLZMHSA-N	0	2	415.243	3.433	40	10		HGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1O	ZINC000408878532	560649641	/nfs/dbraw/zinc/64/96/41/560649641.db2.gz	AGWIEGTUEGCNMG-RIYZIHGNSA-N	0	2	400.818	3.419	40	10		HGCBLN
CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000408896706	560650821	/nfs/dbraw/zinc/65/08/21/560650821.db2.gz	HMTOQTIGEAEIPQ-ATVHPVEESA-N	0	2	410.426	3.159	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000408961679	560658295	/nfs/dbraw/zinc/65/82/95/560658295.db2.gz	DHYFVKODWVPXHT-CPNJWEJPSA-N	0	2	416.393	3.360	40	10		HGCBLN
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)n1C[C@@H]1CCCO1	ZINC000409200954	560692792	/nfs/dbraw/zinc/69/27/92/560692792.db2.gz	UEFRJYAZLQMTBP-GUBFPNNNSA-N	0	2	407.470	3.259	40	10		HGCBLN
COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1	ZINC000014133127	560838652	/nfs/dbraw/zinc/83/86/52/560838652.db2.gz	HRWKARBHLLDLTL-XMHGGMMESA-N	0	2	401.422	3.461	40	10		HGCBLN
N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(N3CCCC3)=NN21	ZINC000041085015	526835721	/nfs/dbraw/zinc/83/57/21/526835721.db2.gz	DHNAPKMJRLFRCI-GGAYRPEOSA-N	0	2	410.286	3.371	40	10		HGCBLN
CSc1ncc(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(N)n1	ZINC000018128431	558831781	/nfs/dbraw/zinc/83/17/81/558831781.db2.gz	SIHWYULXFGCPFQ-FMQUCBEESA-N	0	2	407.506	3.453	40	10		HGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(C(C)=O)c3ccccc23)C1=O	ZINC000004949855	560617089	/nfs/dbraw/zinc/61/70/89/560617089.db2.gz	UTJDHKCFAPTDPZ-ATVHPVEESA-N	0	2	417.421	3.367	40	10		HGCBLN
COc1cc(N2C(=O)NC(=O)C(=Cc3ccccc3C)C2=O)c(OC)cc1Cl	ZINC000408784700	560641382	/nfs/dbraw/zinc/64/13/82/560641382.db2.gz	WLSBFWKONCAHBM-MDWZMJQESA-N	0	2	400.818	3.332	40	10		HGCBLN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl	ZINC000408781436	560641434	/nfs/dbraw/zinc/64/14/34/560641434.db2.gz	SJHJQCRQCNFVPA-XNTDXEJSSA-N	0	2	400.818	3.414	40	10		HGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OC)C2=O)cc1	ZINC000408800959	560642291	/nfs/dbraw/zinc/64/22/91/560642291.db2.gz	QLZLGLIKYSQVGU-LFIBNONCSA-N	0	2	400.818	3.414	40	10		HGCBLN
COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1O	ZINC000408848338	560646747	/nfs/dbraw/zinc/64/67/47/560646747.db2.gz	UBMLVVSXAOWVDS-OVCLIPMQSA-N	0	2	400.818	3.337	40	10		HGCBLN
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1ccccc1F	ZINC000408955311	560657407	/nfs/dbraw/zinc/65/74/07/560657407.db2.gz	WVZLYKOKHDGJHD-XNTDXEJSSA-N	0	2	419.368	3.012	40	10		HGCBLN
CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000409108940	560678992	/nfs/dbraw/zinc/67/89/92/560678992.db2.gz	ZPKFSSWGTFNCLN-RIYZIHGNSA-N	0	2	414.801	3.134	40	10		HGCBLN
COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O	ZINC000409237322	560699295	/nfs/dbraw/zinc/69/92/95/560699295.db2.gz	VXECUBUBZGFNST-XDHOZWIPSA-N	0	2	423.444	3.491	40	10		HGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCCC3)o2)C1=O	ZINC000409246448	560701514	/nfs/dbraw/zinc/70/15/14/560701514.db2.gz	IMRKKLJKBJTTEI-JQIJEIRASA-N	0	2	409.442	3.335	40	10		HGCBLN
COc1nccnc1NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1	ZINC000006088720	569051915	/nfs/dbraw/zinc/05/19/15/569051915.db2.gz	FAQMQTALWQLPRE-UHFFFAOYSA-N	0	2	420.878	3.257	40	10		HGCBLN
COc1ccc(/C=C2/C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-]	ZINC000032109834	523408131	/nfs/dbraw/zinc/40/81/31/523408131.db2.gz	ARDYUBMQYGICJQ-QPEQYQDCSA-N	0	2	407.304	3.084	40	10		HGCBLN
Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3ccc([N+](=O)[O-])c(C)c3)C2=O)c(C)c1	ZINC000408534027	557319323	/nfs/dbraw/zinc/31/93/23/557319323.db2.gz	UORZINJAGIOQLO-MHWRWJLKSA-N	0	2	408.414	3.407	40	10		HGCBLN
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)CC	ZINC000408538269	557346416	/nfs/dbraw/zinc/34/64/16/557346416.db2.gz	ZTYXHMAGTAYLIE-ATVHPVEESA-N	0	2	422.437	3.376	40	10		HGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1	ZINC000408739696	557805390	/nfs/dbraw/zinc/80/53/90/557805390.db2.gz	DOXVSDWCEAJCJH-XNTDXEJSSA-N	0	2	415.789	3.313	40	10		HGCBLN
CN(C)c1ccc(/C=C2\SC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000408763925	560629523	/nfs/dbraw/zinc/62/95/23/560629523.db2.gz	GKYNYXXYNLQDRB-WJDWOHSUSA-N	0	2	412.427	3.042	40	10		HGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1	ZINC000408776857	560639384	/nfs/dbraw/zinc/63/93/84/560639384.db2.gz	RVLQVHMZLAKDCA-MDWZMJQESA-N	0	2	416.817	3.032	40	10		HGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Br)c3)C2=O)cc1	ZINC000408865354	560648319	/nfs/dbraw/zinc/64/83/19/560648319.db2.gz	BXNMPWNPPDHYDK-XNTDXEJSSA-N	0	2	401.216	3.124	40	10		HGCBLN
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2O)C1=O	ZINC000408888337	560649966	/nfs/dbraw/zinc/64/99/66/560649966.db2.gz	ZGYRAGQZKGYLHG-UKTHLTGXSA-N	0	2	401.216	3.130	40	10		HGCBLN
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccccn1	ZINC000409228587	560698377	/nfs/dbraw/zinc/69/83/77/560698377.db2.gz	ZOWIZZPRIOCPOI-CPNJWEJPSA-N	0	2	400.438	3.464	40	10		HGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000409245172	560701247	/nfs/dbraw/zinc/70/12/47/560701247.db2.gz	OMAJRQGSMZMJFS-VYPLWORKSA-N	0	2	407.382	3.216	40	10		HGCBLN
Cc1ccccc1N1C(=O)NC(=O)C(=CN=c2[nH]c3ccc(Cl)cc3s2)C1=O	ZINC000408536328	571308840	/nfs/dbraw/zinc/30/88/40/571308840.db2.gz	WDORIMVHANYBEA-FMIVXFBMSA-N	0	2	412.858	3.837	40	10		HGCBLN
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(OC)c1OC	ZINC000002279729	132251420	/nfs/dbraw/zinc/25/14/20/132251420.db2.gz	KUECVYDZDVEKMY-GXDHUFHOSA-N	0	2	400.362	3.358	40	10		HGCBLN
COc1ccccc1N1C(=O)NC(=O)C(=CNNc2cccc(Cl)c2Cl)C1=O	ZINC000408531023	557300617	/nfs/dbraw/zinc/30/06/17/557300617.db2.gz	KBJSHEGUTLGVCY-MDZDMXLPSA-N	0	2	421.240	3.085	40	10		HGCBLN
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)cc3C)C2=O)c1	ZINC000408549677	557396668	/nfs/dbraw/zinc/39/66/68/557396668.db2.gz	WQUONQAUPHJWPA-LICLKQGHSA-N	0	2	410.426	3.077	40	10		HGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OC	ZINC000408804265	560643127	/nfs/dbraw/zinc/64/31/27/560643127.db2.gz	WPXPFMVHBOLNSW-JLHYYAGUSA-N	0	2	400.818	3.414	40	10		HGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OC(C)C)C2=O)cc1	ZINC000408815428	560644273	/nfs/dbraw/zinc/64/42/73/560644273.db2.gz	RGUUQFXDIWTKNZ-WOJGMQOQSA-N	0	2	410.426	3.157	40	10		HGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC	ZINC000408818881	560644986	/nfs/dbraw/zinc/64/49/86/560644986.db2.gz	YQZJLIHRTPAIBU-UKTHLTGXSA-N	0	2	400.818	3.332	40	10		HGCBLN
COc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000408842497	560646126	/nfs/dbraw/zinc/64/61/26/560646126.db2.gz	AGQSUNKAUHXIQB-BOPFTXTBSA-N	0	2	416.389	3.244	40	10		HGCBLN
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1	ZINC000408869200	560648773	/nfs/dbraw/zinc/64/87/73/560648773.db2.gz	RRPFTPRZWYOEAZ-OQLLNIDSSA-N	0	2	401.216	3.124	40	10		HGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3C)C2=O)cc1	ZINC000408960057	560657670	/nfs/dbraw/zinc/65/76/70/560657670.db2.gz	ISQNIWWRHDZDDS-XSFVSMFZSA-N	0	2	405.454	3.270	40	10		HGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1C[C@H]1CCCO1	ZINC000409205945	560694370	/nfs/dbraw/zinc/69/43/70/560694370.db2.gz	RQHNUPAJJKRBRG-PCJMVEANSA-N	0	2	411.433	3.089	40	10		HGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccccc1C	ZINC000409393290	560719402	/nfs/dbraw/zinc/71/94/02/560719402.db2.gz	PQYPAWXUSWAOOF-CPNJWEJPSA-N	0	2	400.438	3.464	40	10		HGCBLN
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OC(C)(C)C	ZINC000034688678	569360664	/nfs/dbraw/zinc/36/06/64/569360664.db2.gz	KLAVNCHFQOPPMJ-GDNBJRDFSA-N	0	2	411.414	3.242	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNNc3ccc(Br)cc3)C2=O)cc1	ZINC000016292690	132463723	/nfs/dbraw/zinc/46/37/23/132463723.db2.gz	VNAMXGCWJPLBOS-GDNBJRDFSA-N	0	2	415.247	3.045	40	10		HGCBLN
CCc1ccccc1NC(=O)N/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O	ZINC000408536299	557329405	/nfs/dbraw/zinc/32/94/05/557329405.db2.gz	VXTSGZBZEGQTLD-FOWTUZBSSA-N	0	2	406.442	3.154	40	10		HGCBLN
Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(C)c1	ZINC000408536777	557334661	/nfs/dbraw/zinc/33/46/61/557334661.db2.gz	XZIZSRYLSFMIOI-JLHYYAGUSA-N	0	2	412.833	3.245	40	10		HGCBLN
C[C@H](NC(=O)c1ccc(Nc2nncc(=O)[nH]2)cc1)c1ccc(N2CCCCC2)cc1	ZINC000019719198	558982922	/nfs/dbraw/zinc/98/29/22/558982922.db2.gz	WYRQGXWZGMQUNK-INIZCTEOSA-N	0	2	418.501	3.390	40	10		HGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cn(C(C)=O)c4ccccc34)C2=O)cc1	ZINC000004660854	560610858	/nfs/dbraw/zinc/61/08/58/560610858.db2.gz	ATQJCGYYECPQPD-UNOMPAQXSA-N	0	2	417.421	3.367	40	10		HGCBLN
CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408803893	560643134	/nfs/dbraw/zinc/64/31/34/560643134.db2.gz	UMJYNKANIODPGB-MHWRWJLKSA-N	0	2	400.818	3.414	40	10		HGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCC)C2=O)cc1	ZINC000408811824	560644039	/nfs/dbraw/zinc/64/40/39/560644039.db2.gz	OJEWBXANLQTHKM-LDADJPATSA-N	0	2	410.426	3.159	40	10		HGCBLN
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1	ZINC000408867772	560648584	/nfs/dbraw/zinc/64/85/84/560648584.db2.gz	NKNUODCWTVVVCT-OQLLNIDSSA-N	0	2	415.243	3.433	40	10		HGCBLN
COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000408901395	560651268	/nfs/dbraw/zinc/65/12/68/560651268.db2.gz	XSRGLIRTJHUHBZ-RIYZIHGNSA-N	0	2	400.818	3.332	40	10		HGCBLN
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1	ZINC000408904912	560651781	/nfs/dbraw/zinc/65/17/81/560651781.db2.gz	QHNHQASCTIVCRZ-BJMVGYQFSA-N	0	2	422.180	3.274	40	10		HGCBLN
COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	ZINC000408951821	560656966	/nfs/dbraw/zinc/65/69/66/560656966.db2.gz	KEYWGDLVFSLCIH-XSFVSMFZSA-N	0	2	401.422	3.461	40	10		HGCBLN
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)cc3Cl)C2=O)cc1	ZINC000409216161	560697190	/nfs/dbraw/zinc/69/71/90/560697190.db2.gz	FTXRUMCCAXHXOP-RIYZIHGNSA-N	0	2	419.220	3.446	40	10		HGCBLN
COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c1	ZINC000409247651	560701800	/nfs/dbraw/zinc/70/18/00/560701800.db2.gz	FEECHMSVKQKJGV-JAIQZWGSSA-N	0	2	416.437	3.164	40	10		HGCBLN
CCOC(=O)COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	ZINC000059135660	568701075	/nfs/dbraw/zinc/70/10/75/568701075.db2.gz	JLGWHYMVVKQSAH-LFIBNONCSA-N	0	2	412.373	3.274	40	10		HGCBLN
COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O	ZINC000408535035	557313587	/nfs/dbraw/zinc/31/35/87/557313587.db2.gz	SERFDOQFRXWCJM-XNTDXEJSSA-N	0	2	424.413	3.107	40	10		HGCBLN
Cc1cc([N+](=O)[O-])c(C)cc1NC=C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O	ZINC000408533744	557317904	/nfs/dbraw/zinc/31/79/04/557317904.db2.gz	PACDXSHIGATMHY-FMIVXFBMSA-N	0	2	414.805	3.444	40	10		HGCBLN
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1	ZINC000408799841	560642213	/nfs/dbraw/zinc/64/22/13/560642213.db2.gz	LVUJBFRFMMJLJJ-XMHGGMMESA-N	0	2	422.437	3.319	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N(C)C)o3)C2=O)cc1	ZINC000408851995	560646861	/nfs/dbraw/zinc/64/68/61/560646861.db2.gz	PBNSYPVKCJPQTG-MDWZMJQESA-N	0	2	418.247	3.083	40	10		HGCBLN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3O)C2=O)c1	ZINC000408890484	560650145	/nfs/dbraw/zinc/65/01/45/560650145.db2.gz	UMUFRAPHOUKWTK-NTEUORMPSA-N	0	2	401.216	3.130	40	10		HGCBLN
COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1	ZINC000408951853	560656960	/nfs/dbraw/zinc/65/69/60/560656960.db2.gz	KHQIBYUMVCMBPW-CPNJWEJPSA-N	0	2	405.385	3.291	40	10		HGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccccc3)C2=O)c(OC)c1	ZINC000408952649	560657183	/nfs/dbraw/zinc/65/71/83/560657183.db2.gz	VLVRFTGCAKIYAB-QGOAFFKASA-N	0	2	417.421	3.161	40	10		HGCBLN
COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1OC	ZINC000408982124	560661086	/nfs/dbraw/zinc/66/10/86/560661086.db2.gz	GBNMEUVAVOZMBF-ZROIWOOFSA-N	0	2	400.818	3.332	40	10		HGCBLN
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)c1C	ZINC000409073179	560673606	/nfs/dbraw/zinc/67/36/06/560673606.db2.gz	XXZRUKJVCLFWGF-XSFVSMFZSA-N	0	2	419.481	3.115	40	10		HGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=CC=Cc2ccc(N(C)C)cc2)C1=O	ZINC000409235545	560701209	/nfs/dbraw/zinc/70/12/09/560701209.db2.gz	CDFKXWZVLKQVEN-OQUKJUSVSA-N	0	2	405.454	3.374	40	10		HGCBLN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(I)o1	ZINC000033321455	568696321	/nfs/dbraw/zinc/69/63/21/568696321.db2.gz	VVNXJYXHTJMKLG-DHZHZOJOSA-N	0	2	408.151	3.391	40	10		HGCBLN
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C2=O)c1	ZINC000005931880	132308564	/nfs/dbraw/zinc/30/85/64/132308564.db2.gz	RDLAJOJEKWYNFQ-STZFKDTASA-N	0	2	419.481	3.115	40	10		HGCBLN
Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1	ZINC000034602275	557281970	/nfs/dbraw/zinc/28/19/70/557281970.db2.gz	ASOADIZOVZTJSR-UHFFFAOYSA-N	0	2	413.173	3.280	40	10	world	HGCBLN
Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccccc2Br)C1=O	ZINC000408527300	557289597	/nfs/dbraw/zinc/28/95/97/557289597.db2.gz	DGYPWIOZTRLUOO-ZRDIBKRKSA-N	0	2	400.232	3.336	40	10		HGCBLN
CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1	ZINC000408535625	557333430	/nfs/dbraw/zinc/33/34/30/557333430.db2.gz	UAWVWBSVQDNXOK-GHRIWEEISA-N	0	2	407.426	3.005	40	10		HGCBLN
CN1C(=O)/C(=C\c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)SC1=S	ZINC000035655877	558794802	/nfs/dbraw/zinc/79/48/02/558794802.db2.gz	NQTLYLPXQVQOQN-OVCLIPMQSA-N	0	2	415.452	3.384	40	10		HGCBLN
CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC	ZINC000408807499	560643243	/nfs/dbraw/zinc/64/32/43/560643243.db2.gz	CUXVKMQNLCOEFU-NTEUORMPSA-N	0	2	400.818	3.414	40	10		HGCBLN
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000409003736	560665031	/nfs/dbraw/zinc/66/50/31/560665031.db2.gz	KNSLUJWLYNSUML-LGMDPLHJSA-N	0	2	408.414	3.107	40	10		HGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)c(F)c3)C2=O)cc1	ZINC000409092582	560674486	/nfs/dbraw/zinc/67/44/86/560674486.db2.gz	XEEDGKUZNTUIKZ-QGOAFFKASA-N	0	2	423.444	3.491	40	10		HGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)ccc2OC)C1=O	ZINC000409240501	560699918	/nfs/dbraw/zinc/69/99/18/560699918.db2.gz	QDHYHTCDLHIAAR-SDNWHVSQSA-N	0	2	400.818	3.414	40	10		HGCBLN
Cc1cc(C)c(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c([N+](=O)[O-])c1	ZINC000408528460	557291045	/nfs/dbraw/zinc/29/10/45/557291045.db2.gz	GCIDBNRYJNOWIY-FMIVXFBMSA-N	0	2	414.805	3.444	40	10		HGCBLN
Cc1cccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1C	ZINC000408536573	557341166	/nfs/dbraw/zinc/34/11/66/557341166.db2.gz	WRNNZXUIWQYFMJ-JLHYYAGUSA-N	0	2	412.833	3.245	40	10		HGCBLN
Cn1c(/C=C2/SC(=S)N(NC(=O)c3ccccc3F)C2=O)nc2ccccc21	ZINC000005236055	557640975	/nfs/dbraw/zinc/64/09/75/557640975.db2.gz	BXDYVPCUFVSSEC-XNTDXEJSSA-N	0	2	412.471	3.259	40	10		HGCBLN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1O	ZINC000015013448	558701241	/nfs/dbraw/zinc/70/12/41/558701241.db2.gz	FIHDCUUBBTVPNV-YFHOEESVSA-N	0	2	407.209	3.374	40	10		HGCBLN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC	ZINC000408818221	560644799	/nfs/dbraw/zinc/64/47/99/560644799.db2.gz	UVMJFCYWHHHXRY-SFQUDFHCSA-N	0	2	410.426	3.159	40	10		HGCBLN
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	ZINC000408956488	560657792	/nfs/dbraw/zinc/65/77/92/560657792.db2.gz	XKVAZYIWSLPXNG-NTUHNPAUSA-N	0	2	404.300	3.101	40	10		HGCBLN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Br)c([N+](=O)[O-])c1	ZINC000409201486	560692971	/nfs/dbraw/zinc/69/29/71/560692971.db2.gz	NODFRTWNHJVOJQ-WQLSENKSSA-N	0	2	416.187	3.024	40	10		HGCBLN
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1C[C@@H]1CCCO1	ZINC000409204557	560693978	/nfs/dbraw/zinc/69/39/78/560693978.db2.gz	IUDYKSJJSASBNZ-GUBFPNNNSA-N	0	2	407.470	3.259	40	10		HGCBLN
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC)c(OCC)c2)C1=O	ZINC000409237245	560699277	/nfs/dbraw/zinc/69/92/77/560699277.db2.gz	IWVIHCUMYFTSFH-NTCAYCPXSA-N	0	2	410.426	3.159	40	10		HGCBLN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc1OC	ZINC000409230830	560700358	/nfs/dbraw/zinc/70/03/58/560700358.db2.gz	GCLAUKOWPOONMS-NTCAYCPXSA-N	0	2	410.426	3.159	40	10		HGCBLN
COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O	ZINC000409249712	560702073	/nfs/dbraw/zinc/70/20/73/560702073.db2.gz	OAPUEGBYXOOROJ-GHRIWEEISA-N	0	2	423.444	3.491	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc([N+](=O)[O-])c(C)c3C)C2=O)c(C)c1	ZINC000408526229	557287417	/nfs/dbraw/zinc/28/74/17/557287417.db2.gz	BDGRQICLKIRHTP-XNTDXEJSSA-N	0	2	408.414	3.407	40	10		HGCBLN
COc1cc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1O	ZINC000016195031	558777876	/nfs/dbraw/zinc/77/78/76/558777876.db2.gz	YSXOHHRIZZWREZ-SDQBBNPISA-N	0	2	417.761	3.469	40	10		HGCBLN
CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	ZINC000408871128	560648981	/nfs/dbraw/zinc/64/89/81/560648981.db2.gz	YFUIOHPYADYVPA-LZYBPNLTSA-N	0	2	415.789	3.313	40	10		HGCBLN
CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c1	ZINC000408875991	560649321	/nfs/dbraw/zinc/64/93/21/560649321.db2.gz	IJIAZPOFEGVBEW-LICLKQGHSA-N	0	2	400.818	3.414	40	10		HGCBLN
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O	ZINC000408956836	560657840	/nfs/dbraw/zinc/65/78/40/560657840.db2.gz	YRDWVHJOBVEVHL-NYYWCZLTSA-N	0	2	421.192	3.094	40	10		HGCBLN
COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c1	ZINC000409392854	560719269	/nfs/dbraw/zinc/71/92/69/560719269.db2.gz	NZTJALPHSBLCFZ-NDENLUEZSA-N	0	2	416.437	3.164	40	10		HGCBLN
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O	ZINC000035177774	569360735	/nfs/dbraw/zinc/36/07/35/569360735.db2.gz	MDQJIWACRLJGTO-XFFZJAGNSA-N	0	2	423.650	3.278	40	10		HGCBLN
CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000004748935	132287284	/nfs/dbraw/zinc/28/72/84/132287284.db2.gz	HWSGTAWEMRUFEX-XSFVSMFZSA-N	0	2	418.428	3.349	40	10		HGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)c(F)c3)C2=O)cc1	ZINC000005931672	132308544	/nfs/dbraw/zinc/30/85/44/132308544.db2.gz	HQSXCKMMFCEKOC-ATVHPVEESA-N	0	2	409.417	3.101	40	10		HGCBLN
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc4ccccc34)C2=O)cc1	ZINC000006579932	536729110	/nfs/dbraw/zinc/72/91/10/536729110.db2.gz	WSDYQXIQXKTNMP-UYRXBGFRSA-N	0	2	400.390	3.293	40	10		HGCBLN
Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc(C)c(C)c3)C2=O)c1	ZINC000408533443	557316959	/nfs/dbraw/zinc/31/69/59/557316959.db2.gz	SGEGPIYSBCNXHQ-GZTJUZNOSA-N	0	2	406.442	3.209	40	10		HGCBLN
O=C1NC(=S)S/C1=C\c1cc(Br)c(O)c(Br)c1O	ZINC000408730011	557789449	/nfs/dbraw/zinc/78/94/49/557789449.db2.gz	DCNFYMXGRKDTTK-DJWKRKHSSA-N	0	2	411.096	3.112	40	10		HGCBLN
Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2ccc(F)cc2)C1=O	ZINC000016282420	558783355	/nfs/dbraw/zinc/78/33/55/558783355.db2.gz	JHPNCVKALMLAPL-ZROIWOOFSA-N	0	2	418.222	3.475	40	10		HGCBLN
COc1cc([N+](=O)[O-])cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1O	ZINC000016194941	559078453	/nfs/dbraw/zinc/07/84/53/559078453.db2.gz	ICNIIGORNVGNFP-XFFZJAGNSA-N	0	2	417.374	3.120	40	10		HGCBLN
O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(I)c1	ZINC000000859658	557103638	/nfs/dbraw/zinc/10/36/38/557103638.db2.gz	PXFRVWNUHIQTIA-ZROIWOOFSA-N	0	2	424.625	3.406	40	10		HGCBLN
COc1ccc(N2C(=O)NC(=O)C(=CNNc3cc(Cl)ccc3Cl)C2=O)cc1	ZINC000408526323	557287830	/nfs/dbraw/zinc/28/78/30/557287830.db2.gz	AYLFQEVJPKXFBX-LCYFTJDESA-N	0	2	421.240	3.085	40	10		HGCBLN
COC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3cccc4ccccc43)C2=O)cc1	ZINC000408530462	557298813	/nfs/dbraw/zinc/29/88/13/557298813.db2.gz	IYHPTEUSJCJWAU-QGOAFFKASA-N	0	2	415.405	3.205	40	10		HGCBLN
CCc1ccccc1NC(=O)N/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O	ZINC000408532178	557311159	/nfs/dbraw/zinc/31/11/59/557311159.db2.gz	MBOCPVKDUSHOLH-FOWTUZBSSA-N	0	2	406.442	3.154	40	10		HGCBLN
Cc1cccc(N2C(=O)NC(=O)C(=CNNc3ccc(Br)cc3)C2=O)c1	ZINC000016349460	559078831	/nfs/dbraw/zinc/07/88/31/559078831.db2.gz	KPBYUGOIFVQFNV-GDNBJRDFSA-N	0	2	415.247	3.045	40	10		HGCBLN
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000408955722	560657192	/nfs/dbraw/zinc/65/71/92/560657192.db2.gz	YTLRDZMMIRGTGK-WOJGMQOQSA-N	0	2	415.405	3.181	40	10		HGCBLN
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1	ZINC000409200890	560692679	/nfs/dbraw/zinc/69/26/79/560692679.db2.gz	KEKCQTOTDUXERE-UKTHLTGXSA-N	0	2	419.220	3.446	40	10		HGCBLN
CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1OC	ZINC000409203875	560693922	/nfs/dbraw/zinc/69/39/22/560693922.db2.gz	ZMNHXKQTWCQWAR-QGOAFFKASA-N	0	2	423.469	3.216	40	10		HGCBLN
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Br)cc1	ZINC000409212346	560695674	/nfs/dbraw/zinc/69/56/74/560695674.db2.gz	QDKQYXHBJJZDMS-RIYZIHGNSA-N	0	2	416.187	3.024	40	10		HGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Cl)c1OCC	ZINC000409390299	560718744	/nfs/dbraw/zinc/71/87/44/560718744.db2.gz	DXDUXPKTIKXRPT-NTEUORMPSA-N	0	2	415.833	3.199	40	10		HGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc(C)c1	ZINC000409393618	560719533	/nfs/dbraw/zinc/71/95/33/560719533.db2.gz	RKAGVFJSNZXVDU-DEDYPNTBSA-N	0	2	400.438	3.464	40	10		HGCBLN
Cc1cc2c(cc1S(=O)(=O)Nc1nc(-c3ccccc3)cs1)oc(=O)n2C	ZINC000223340696	568545743	/nfs/dbraw/zinc/54/57/43/568545743.db2.gz	RYVJRHXVUYANBK-UHFFFAOYSA-N	0	2	401.469	3.364	40	10		HGCBLN
O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)cc([N+](=O)[O-])c1O	ZINC000058856236	568699259	/nfs/dbraw/zinc/69/92/59/568699259.db2.gz	WIZRFVOWIDGUMK-UHFFFAOYSA-N	0	2	412.192	3.207	40	10		HGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)c(OC)c3)C2=O)cc1	ZINC000002755687	568931858	/nfs/dbraw/zinc/93/18/58/568931858.db2.gz	DINGVMOGYNIKBT-BOPFTXTBSA-N	0	2	410.426	3.157	40	10		HGCBLN
COC(=O)Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1C(=O)OC	ZINC000103523760	559156157	/nfs/dbraw/zinc/15/61/57/559156157.db2.gz	LASJJVUJGXPARK-XSFVSMFZSA-N	0	2	407.426	3.125	40	10		HGCBLN
Cc1cc(N2C(=O)NC(=O)C(=Cc3ccccc3O)C2=O)ccc1Br	ZINC000408762186	559287925	/nfs/dbraw/zinc/28/79/25/559287925.db2.gz	DEJDCDLINDWHDP-UKTHLTGXSA-N	0	2	401.216	3.130	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3O)C2=O)cc1	ZINC000408778558	560640843	/nfs/dbraw/zinc/64/08/43/560640843.db2.gz	HFQZJOWUGKZFNJ-NTEUORMPSA-N	0	2	401.216	3.130	40	10		HGCBLN
CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O	ZINC000408803524	560643036	/nfs/dbraw/zinc/64/30/36/560643036.db2.gz	QBPSANMIKHZKTD-NBVRZTHBSA-N	0	2	422.437	3.319	40	10		HGCBLN
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3)C2=O)c1	ZINC000408854633	560647622	/nfs/dbraw/zinc/64/76/22/560647622.db2.gz	JMEFIYBSIFAGHQ-SFQUDFHCSA-N	0	2	410.426	3.159	40	10		HGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1O	ZINC000408888333	560650020	/nfs/dbraw/zinc/65/00/20/560650020.db2.gz	ZFRWKLOXWITKFU-UKTHLTGXSA-N	0	2	400.818	3.419	40	10		HGCBLN
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2O)C1=O	ZINC000408893705	560650386	/nfs/dbraw/zinc/65/03/86/560650386.db2.gz	GWLFDXOJRYANBD-UVTDQMKNSA-N	0	2	415.243	3.384	40	10		HGCBLN
CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(OCC)c3)C2=O)cc1	ZINC000408898311	560651723	/nfs/dbraw/zinc/65/17/23/560651723.db2.gz	KUNIIOOSYLJDHQ-ATVHPVEESA-N	0	2	410.426	3.246	40	10		HGCBLN
Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000408951321	560656879	/nfs/dbraw/zinc/65/68/79/560656879.db2.gz	IRNLHJXUNQJZOK-GZTJUZNOSA-N	0	2	415.405	3.181	40	10		HGCBLN
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1	ZINC000409038642	560668652	/nfs/dbraw/zinc/66/86/52/560668652.db2.gz	AJXXJHFJGJJYBQ-NYYWCZLTSA-N	0	2	422.180	3.274	40	10		HGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1C[C@@H]1CCCO1	ZINC000409199808	560692380	/nfs/dbraw/zinc/69/23/80/560692380.db2.gz	KBJMBUGGNLAHNA-PYJSORCASA-N	0	2	411.433	3.089	40	10		HGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1C[C@@H]1CCCO1	ZINC000409205944	560694357	/nfs/dbraw/zinc/69/43/57/560694357.db2.gz	RQHNUPAJJKRBRG-KTZOAPACSA-N	0	2	411.433	3.089	40	10		HGCBLN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)o1	ZINC000409234156	560700934	/nfs/dbraw/zinc/70/09/34/560700934.db2.gz	MNYAERHKDNOGPL-YVLHZVERSA-N	0	2	418.365	3.225	40	10		HGCBLN
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000409391950	560719066	/nfs/dbraw/zinc/71/90/66/560719066.db2.gz	KLWGUVFUODOZEJ-MOSHPQCFSA-N	0	2	400.438	3.464	40	10		HGCBLN
COc1cc(OC)c([N+](=O)[O-])cc1C=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000033319768	568696331	/nfs/dbraw/zinc/69/63/31/568696331.db2.gz	RBEHQQOAKPWMDI-ZSOIEALJSA-N	0	2	411.370	3.427	40	10		HGCBLN
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(Br)o1	ZINC000033783612	569360431	/nfs/dbraw/zinc/36/04/31/569360431.db2.gz	JNZXEEFSRLFKFI-POHAHGRESA-N	0	2	412.037	3.266	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc(C)c(C)cc3[N+](=O)[O-])C2=O)cc1C	ZINC000408536022	557326922	/nfs/dbraw/zinc/32/69/22/557326922.db2.gz	VGPIYPHRGZJWFB-MHWRWJLKSA-N	0	2	408.414	3.407	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc(C)c(C)c([N+](=O)[O-])c3)C2=O)cc1C	ZINC000408537621	557349168	/nfs/dbraw/zinc/34/91/68/557349168.db2.gz	GLBKGKFQFOEHSU-LICLKQGHSA-N	0	2	408.414	3.407	40	10		HGCBLN
Nc1nc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n2)cs1	ZINC000016385618	558789296	/nfs/dbraw/zinc/78/92/96/558789296.db2.gz	XHLTUUVYRCIBOI-UHFFFAOYSA-N	0	2	417.881	3.211	40	10		HGCBLN
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1	ZINC000408855571	560647766	/nfs/dbraw/zinc/64/77/66/560647766.db2.gz	OEXOVHZJEGIXDN-XCVCLJGOSA-N	0	2	421.192	3.094	40	10		HGCBLN
COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O	ZINC000408895855	560650763	/nfs/dbraw/zinc/65/07/63/560650763.db2.gz	FWLZOVPKSINFSY-OVCLIPMQSA-N	0	2	400.818	3.337	40	10		HGCBLN
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3O)C2=O)c1	ZINC000408897325	560651587	/nfs/dbraw/zinc/65/15/87/560651587.db2.gz	IVZBHQYZUMDURB-OQLLNIDSSA-N	0	2	415.243	3.438	40	10		HGCBLN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1	ZINC000408984070	560661980	/nfs/dbraw/zinc/66/19/80/560661980.db2.gz	HWMTVMRPZVVZHV-NVNXTCNLSA-N	0	2	400.818	3.332	40	10		HGCBLN
CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C1=O)OCO2	ZINC000409097865	560676225	/nfs/dbraw/zinc/67/62/25/560676225.db2.gz	HQBLUHFHZJXEJD-PXNMLYILSA-N	0	2	408.410	3.097	40	10		HGCBLN
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCOCC3)cc2C)C1=O	ZINC000409105317	560678324	/nfs/dbraw/zinc/67/83/24/560678324.db2.gz	IJPQBFSKDZKVBM-HMMYKYKNSA-N	0	2	419.481	3.060	40	10		HGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Cl)c1OC(C)C	ZINC000409393340	560719384	/nfs/dbraw/zinc/71/93/84/560719384.db2.gz	QJDSPUWLVOAZPC-RIYZIHGNSA-N	0	2	415.833	3.197	40	10		HGCBLN
COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1	ZINC000409393328	560719458	/nfs/dbraw/zinc/71/94/58/560719458.db2.gz	QGUADKHRNXEXIF-DEDYPNTBSA-N	0	2	416.437	3.164	40	10		HGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1Br	ZINC000001504507	560728485	/nfs/dbraw/zinc/72/84/85/560728485.db2.gz	VLCSAPLQKDLDLX-NTEUORMPSA-N	0	2	415.243	3.433	40	10		HGCBLN
CC(C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000035145789	569360718	/nfs/dbraw/zinc/36/07/18/569360718.db2.gz	RLZRVXSCYIUTNU-ZSOIEALJSA-N	0	2	401.806	3.497	40	10		HGCBLN
Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc43)C2=O)cc1	ZINC000408529894	557296286	/nfs/dbraw/zinc/29/62/86/557296286.db2.gz	IFKUMNMURORRCM-QGOAFFKASA-N	0	2	414.421	3.437	40	10		HGCBLN
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000035362249	557698032	/nfs/dbraw/zinc/69/80/32/557698032.db2.gz	GPCSYZDIYUCITP-ATVHPVEESA-N	0	2	402.366	3.244	40	10		HGCBLN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)c1	ZINC000408740154	557806138	/nfs/dbraw/zinc/80/61/38/557806138.db2.gz	IYSXLDYKBZKQTN-MDWZMJQESA-N	0	2	401.216	3.130	40	10		HGCBLN
O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c(O)ccc(Nc3cccc(CO)c3)c21	ZINC000035362670	558790744	/nfs/dbraw/zinc/79/07/44/558790744.db2.gz	JKKUOQZOESABJX-UHFFFAOYSA-N	0	2	406.350	3.017	40	10		HGCBLN
COC(=O)Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(OC)ccc1OC	ZINC000101842119	559148105	/nfs/dbraw/zinc/14/81/05/559148105.db2.gz	DGMXNJFZOPONBY-KGENOOAVSA-N	0	2	409.442	3.356	40	10		HGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OC	ZINC000408790395	560641585	/nfs/dbraw/zinc/64/15/85/560641585.db2.gz	QZEMREUNFJMTSB-RIYZIHGNSA-N	0	2	400.818	3.332	40	10		HGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC)c(OC)c3)C2=O)cc1	ZINC000408816974	560644512	/nfs/dbraw/zinc/64/45/12/560644512.db2.gz	VAZZJLDNVQQQDN-RIYZIHGNSA-N	0	2	416.817	3.032	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3O)C2=O)cc1C	ZINC000408850930	560647242	/nfs/dbraw/zinc/64/72/42/560647242.db2.gz	GNCPKRCQXVCSTK-OQLLNIDSSA-N	0	2	415.243	3.438	40	10		HGCBLN
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccc(C(F)(F)F)c1	ZINC000408858038	560647485	/nfs/dbraw/zinc/64/74/85/560647485.db2.gz	RKTGIGRHMWTHJD-NTUHNPAUSA-N	0	2	404.300	3.101	40	10		HGCBLN
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1	ZINC000408961767	560658350	/nfs/dbraw/zinc/65/83/50/560658350.db2.gz	DVRLWGCXFYFLJN-RMKNXTFCSA-N	0	2	422.180	3.274	40	10		HGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccn1	ZINC000408965242	560658946	/nfs/dbraw/zinc/65/89/46/560658946.db2.gz	JMWCIIOOESXYOU-LDADJPATSA-N	0	2	404.401	3.295	40	10		HGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)cc1	ZINC000005873076	560738756	/nfs/dbraw/zinc/73/87/56/560738756.db2.gz	LYNIBUDRVBPMKG-HMMYKYKNSA-N	0	2	421.453	3.429	40	10		HGCBLN
Cc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)sc2c1	ZINC000408533037	571308589	/nfs/dbraw/zinc/30/85/89/571308589.db2.gz	NWOCCANHNULZSC-GXDHUFHOSA-N	0	2	406.467	3.800	40	10		HGCBLN
CCCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1	ZINC000408530178	557297699	/nfs/dbraw/zinc/29/76/99/557297699.db2.gz	IXNDPSOZKXEHAY-NBVRZTHBSA-N	0	2	421.453	3.395	40	10		HGCBLN
C[NH2+]c1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1	ZINC000004824619	557603288	/nfs/dbraw/zinc/60/32/88/557603288.db2.gz	HZKAPKKKJAJPQR-UHFFFAOYSA-N	0	2	423.450	3.076	40	10		HGCBLN
COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc([N+](=O)[O-])c1O	ZINC000016195090	558777794	/nfs/dbraw/zinc/77/77/94/558777794.db2.gz	GAKQUBGNFIDAJJ-POHAHGRESA-N	0	2	417.374	3.120	40	10		HGCBLN
Cc1coc(NS(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=S)[nH]c3=O)cc2)c1C	ZINC000017021121	558811972	/nfs/dbraw/zinc/81/19/72/558811972.db2.gz	GAXNERFBFCPISV-QZQOTICOSA-N	0	2	420.476	3.479	40	10		HGCBLN
O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c1	ZINC000033739309	559239472	/nfs/dbraw/zinc/23/94/72/559239472.db2.gz	VJEHFJSGQOFAEL-UHFFFAOYSA-N	0	2	406.401	3.427	40	10		HGCBLN
CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000408813471	560644121	/nfs/dbraw/zinc/64/41/21/560644121.db2.gz	QLHOLDGPLGZHJM-CXUHLZMHSA-N	0	2	400.818	3.414	40	10		HGCBLN
Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1	ZINC000408951815	560656973	/nfs/dbraw/zinc/65/69/73/560656973.db2.gz	KERAJWHMSHNXLA-WOJGMQOQSA-N	0	2	415.405	3.181	40	10		HGCBLN
CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C1=O)OCO2	ZINC000408966142	560658122	/nfs/dbraw/zinc/65/81/22/560658122.db2.gz	MYXHDUJXHCSOGR-LZYBPNLTSA-N	0	2	408.410	3.097	40	10		HGCBLN
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccn1	ZINC000408961252	560658148	/nfs/dbraw/zinc/65/81/48/560658148.db2.gz	LTHYDIWBFVSVHV-CPNJWEJPSA-N	0	2	400.438	3.464	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(O)cc3)C2=O)cc1C	ZINC000409022707	560667047	/nfs/dbraw/zinc/66/70/47/560667047.db2.gz	PZZXLSSVUVVPQC-DEDYPNTBSA-N	0	2	401.422	3.466	40	10		HGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(Cl)c3O)C2=O)cc1	ZINC000409047150	560669614	/nfs/dbraw/zinc/66/96/14/560669614.db2.gz	NAVUYLJJQVLKHL-NTUHNPAUSA-N	0	2	407.209	3.374	40	10		HGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1O	ZINC000409064186	560672161	/nfs/dbraw/zinc/67/21/61/560672161.db2.gz	CIWRJAQOEZIWHO-JXMROGBWSA-N	0	2	407.209	3.374	40	10		HGCBLN
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)n1C[C@H]1CCCO1	ZINC000409200947	560692765	/nfs/dbraw/zinc/69/27/65/560692765.db2.gz	UEFRJYAZLQMTBP-FUNKKEAFSA-N	0	2	407.470	3.259	40	10		HGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)c(C)c2OC)C1=O	ZINC000409239864	560699795	/nfs/dbraw/zinc/69/97/95/560699795.db2.gz	RDHVQZFRKYOEBM-NTCAYCPXSA-N	0	2	410.426	3.077	40	10		HGCBLN
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	ZINC000059134992	568701112	/nfs/dbraw/zinc/70/11/12/568701112.db2.gz	DPSNMXHESXXLHI-KTZOAPACSA-N	0	2	406.373	3.214	40	10		HGCBLN
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cn2)c1	ZINC000107823982	569361032	/nfs/dbraw/zinc/36/10/32/569361032.db2.gz	OKZWZGGXEKSSIF-PDGQHHTCSA-N	0	2	402.366	3.244	40	10		HGCBLN
COc1ccccc1N1C(=O)NC(=O)C(=CNNc2cc(Cl)ccc2Cl)C1=O	ZINC000408528458	557291037	/nfs/dbraw/zinc/29/10/37/557291037.db2.gz	GBYKDDMUMOBXEK-PKNBQFBNSA-N	0	2	421.240	3.085	40	10		HGCBLN
COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O	ZINC000408741485	557807957	/nfs/dbraw/zinc/80/79/57/557807957.db2.gz	MGSWHNNKCPLODJ-NTEUORMPSA-N	0	2	401.216	3.124	40	10		HGCBLN
COc1cc(/C=C2\C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(C)=O	ZINC000016321843	558786276	/nfs/dbraw/zinc/78/62/76/558786276.db2.gz	VXJSNIWKLPOXQJ-OVCLIPMQSA-N	0	2	420.343	3.101	40	10		HGCBLN
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC	ZINC000408804440	560643051	/nfs/dbraw/zinc/64/30/51/560643051.db2.gz	FZMGUEIVPMOBEF-SFQUDFHCSA-N	0	2	410.426	3.246	40	10		HGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OC)c1	ZINC000408808140	560643623	/nfs/dbraw/zinc/64/36/23/560643623.db2.gz	DTZNRRFOOPFTDN-NTEUORMPSA-N	0	2	400.818	3.332	40	10		HGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OC	ZINC000408819960	560645433	/nfs/dbraw/zinc/64/54/33/560645433.db2.gz	ZSKCLBLAWXVEJL-RIYZIHGNSA-N	0	2	416.817	3.119	40	10		HGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3O)C2=O)c(C)c1	ZINC000408888633	560649987	/nfs/dbraw/zinc/64/99/87/560649987.db2.gz	YEASRJIENAUFPR-NTEUORMPSA-N	0	2	415.243	3.438	40	10		HGCBLN
COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O	ZINC000408900272	560651211	/nfs/dbraw/zinc/65/12/11/560651211.db2.gz	XTTCLLBGNMKPMS-UVTDQMKNSA-N	0	2	415.243	3.433	40	10		HGCBLN
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O	ZINC000409049080	560669851	/nfs/dbraw/zinc/66/98/51/560669851.db2.gz	VZUFZDJVGBKKLR-WUXMJOGZSA-N	0	2	422.180	3.274	40	10		HGCBLN
CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccccc3CC)C1=O)OCO2	ZINC000409106178	560678477	/nfs/dbraw/zinc/67/84/77/560678477.db2.gz	QPXUNUWMYHOIRS-DHDCSXOGSA-N	0	2	408.410	3.043	40	10		HGCBLN
CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3cccc(Cl)c3)C1=O)OCO2	ZINC000409107601	560678656	/nfs/dbraw/zinc/67/86/56/560678656.db2.gz	SKSIJACWUVAEDX-NSIKDUERSA-N	0	2	414.801	3.134	40	10		HGCBLN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1	ZINC000409390665	560718671	/nfs/dbraw/zinc/71/86/71/560718671.db2.gz	GKVOAWAVRFGIOZ-GZTJUZNOSA-N	0	2	418.365	3.225	40	10		HGCBLN
Cc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)sc2c1	ZINC000408527246	571308656	/nfs/dbraw/zinc/30/86/56/571308656.db2.gz	DBESWNJQTHDYIZ-GXDHUFHOSA-N	0	2	406.467	3.800	40	10		HGCBLN
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)c(F)c3)C2=O)c1	ZINC000006389382	132310636	/nfs/dbraw/zinc/31/06/36/132310636.db2.gz	WOBHCNIZBSCLAA-PDGQHHTCSA-N	0	2	423.444	3.491	40	10		HGCBLN
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)CC	ZINC000408537548	557348593	/nfs/dbraw/zinc/34/85/93/557348593.db2.gz	WESOHWGPIWSLAO-VBKFSLOCSA-N	0	2	422.437	3.376	40	10		HGCBLN
COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000408548318	557371165	/nfs/dbraw/zinc/37/11/65/557371165.db2.gz	GFHYZFIABYBINS-OVCLIPMQSA-N	0	2	400.818	3.332	40	10		HGCBLN
Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000012412695	558401204	/nfs/dbraw/zinc/40/12/04/558401204.db2.gz	IQDMZUKRJXVFQP-PDGQHHTCSA-N	0	2	418.906	3.309	40	10		HGCBLN
Cc1coc(NS(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=S)[nH]c3=O)cc2)c1C	ZINC000104090436	559157847	/nfs/dbraw/zinc/15/78/47/559157847.db2.gz	GAXNERFBFCPISV-MRCUWXFGSA-N	0	2	420.476	3.479	40	10		HGCBLN
CC(C)Oc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	ZINC000408804756	560643227	/nfs/dbraw/zinc/64/32/27/560643227.db2.gz	HGAVZXDCWFVLJK-MHWRWJLKSA-N	0	2	400.818	3.499	40	10		HGCBLN
Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccccc2O)C1=O	ZINC000408900738	560651189	/nfs/dbraw/zinc/65/11/89/560651189.db2.gz	UIMGIRNICQDMKQ-LCYFTJDESA-N	0	2	401.216	3.130	40	10		HGCBLN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl	ZINC000408945528	560656510	/nfs/dbraw/zinc/65/65/10/560656510.db2.gz	WPSWAXVEYDRMMM-NTEUORMPSA-N	0	2	415.789	3.313	40	10		HGCBLN
COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1	ZINC000408952966	560657134	/nfs/dbraw/zinc/65/71/34/560657134.db2.gz	NNJRWDTVRZJIEB-GHRIWEEISA-N	0	2	405.385	3.291	40	10		HGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1C[C@H]1CCCO1	ZINC000409199801	560692401	/nfs/dbraw/zinc/69/24/01/560692401.db2.gz	KBJMBUGGNLAHNA-HDAJJNEKSA-N	0	2	411.433	3.089	40	10		HGCBLN
CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccncc4)C3=O)o2)cc1	ZINC000409390578	560718737	/nfs/dbraw/zinc/71/87/37/560718737.db2.gz	FYRRSRIYTZTCOS-LDADJPATSA-N	0	2	401.378	3.211	40	10		HGCBLN
CC[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000107931211	569361086	/nfs/dbraw/zinc/36/10/86/569361086.db2.gz	AVFAGHOXUPNGJK-YDRQLGOLSA-N	0	2	411.414	3.242	40	10		HGCBLN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccco3)C2=O)c1	ZINC000408529949	557294298	/nfs/dbraw/zinc/29/42/98/557294298.db2.gz	DLEWCQABQZUNEF-LGMDPLHJSA-N	0	2	416.389	3.474	40	10		HGCBLN
Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cc3[N+](=O)[O-])C2=O)c1	ZINC000408531496	557305276	/nfs/dbraw/zinc/30/52/76/557305276.db2.gz	OFPOFJMLWVDKCF-UKTHLTGXSA-N	0	2	414.805	3.444	40	10		HGCBLN
CCc1ccccc1N1C(=O)NC(=O)C(=CNC(=S)Nc2ccc(C)c(C)c2)C1=O	ZINC000408535274	557330494	/nfs/dbraw/zinc/33/04/94/557330494.db2.gz	YGNWHNZWHWDRBN-SFQUDFHCSA-N	0	2	422.510	3.319	40	10		HGCBLN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1C	ZINC000015012506	558700769	/nfs/dbraw/zinc/70/07/69/558700769.db2.gz	HWFKOVCJAHFALT-GDNBJRDFSA-N	0	2	415.243	3.433	40	10		HGCBLN
COc1cc(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1	ZINC000408873005	560649044	/nfs/dbraw/zinc/64/90/44/560649044.db2.gz	QRTYKOXSVUELLY-JYRVWZFOSA-N	0	2	419.206	3.263	40	10		HGCBLN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2	ZINC000408897403	560651550	/nfs/dbraw/zinc/65/15/50/560651550.db2.gz	JFFKEWJIIQCUGX-LFYBBSHMSA-N	0	2	405.193	3.389	40	10		HGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)cc3)C2=O)cc1	ZINC000408960037	560657700	/nfs/dbraw/zinc/65/77/00/560657700.db2.gz	IGXXMVCHONFJOW-HMMYKYKNSA-N	0	2	405.454	3.352	40	10		HGCBLN
CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)OCO2	ZINC000408965699	560659115	/nfs/dbraw/zinc/65/91/15/560659115.db2.gz	XFYRPFWEQIEASI-VGOFMYFVSA-N	0	2	414.801	3.134	40	10		HGCBLN
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(O)cc3)C2=O)c1	ZINC000409022437	560667059	/nfs/dbraw/zinc/66/70/59/560667059.db2.gz	NUSKBWOYSPZIHI-XSFVSMFZSA-N	0	2	417.421	3.248	40	10		HGCBLN
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1C[C@H]1CCCO1	ZINC000409204556	560694017	/nfs/dbraw/zinc/69/40/17/560694017.db2.gz	IUDYKSJJSASBNZ-FUNKKEAFSA-N	0	2	407.470	3.259	40	10		HGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccn4)c3C)C2=O)cc1	ZINC000409230998	560700317	/nfs/dbraw/zinc/70/03/17/560700317.db2.gz	HMHLKRRQKXXNJK-CPNJWEJPSA-N	0	2	416.437	3.164	40	10		HGCBLN
Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)o2)cc1[N+](=O)[O-]	ZINC000409391151	560718824	/nfs/dbraw/zinc/71/88/24/560718824.db2.gz	HRUZWLKJTOTUDR-LFIBNONCSA-N	0	2	418.365	3.225	40	10		HGCBLN
CCc1ccccc1N1C(=O)NC(=O)C(=CNc2nc(-c3ccccc3)cs2)C1=O	ZINC000408526174	571309884	/nfs/dbraw/zinc/30/98/84/571309884.db2.gz	ACSRAPRKJGUFRU-FOWTUZBSSA-N	0	2	418.478	3.951	40	10		HGCBLN
CCc1ccccc1N1C(=O)NC(=O)C(=CN=c2[nH]c3cc(C)c(C)cc3s2)C1=O	ZINC000408536056	571309930	/nfs/dbraw/zinc/30/99/30/571309930.db2.gz	VMLRBCMJHTWPRE-RVDMUPIBSA-N	0	2	420.494	4.054	40	10		HGCBLN
Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1	ZINC000408532458	557314376	/nfs/dbraw/zinc/31/43/76/557314376.db2.gz	MUKZZYZOYOZUCZ-GZTJUZNOSA-N	0	2	406.442	3.209	40	10		HGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc4ccccc43)C2=O)cc(OC)c1O	ZINC000016195052	558777907	/nfs/dbraw/zinc/77/79/07/558777907.db2.gz	NTJSDFMVUZIUAC-MHWRWJLKSA-N	0	2	418.405	3.229	40	10		HGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C(C)(C)C	ZINC000016268211	558782452	/nfs/dbraw/zinc/78/24/52/558782452.db2.gz	SPKVAXGLPQQUAK-CXUHLZMHSA-N	0	2	409.442	3.255	40	10		HGCBLN
CC(C)(C)C1(C)OC(=O)C(=Cc2cc(Br)cc([N+](=O)[O-])c2O)C(=O)O1	ZINC000016605324	558796616	/nfs/dbraw/zinc/79/66/16/558796616.db2.gz	ZUUYSXUURXJLND-UHFFFAOYSA-N	0	2	414.208	3.309	40	10		HGCBLN
CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(=O)[nH]1	ZINC000104090714	559157961	/nfs/dbraw/zinc/15/79/61/559157961.db2.gz	UXQFJFOXPXQOSD-DQRAZIAOSA-N	0	2	417.476	3.098	40	10		HGCBLN
CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O	ZINC000408818376	560644818	/nfs/dbraw/zinc/64/48/18/560644818.db2.gz	VIKYLSUUSHLYBU-GXDHUFHOSA-N	0	2	400.818	3.414	40	10		HGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(O)c1	ZINC000408885544	560649901	/nfs/dbraw/zinc/64/99/01/560649901.db2.gz	BRKXQKMPHHCNJM-WUXMJOGZSA-N	0	2	407.209	3.374	40	10		HGCBLN
CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3O)C2=O)cc1	ZINC000408901592	560651431	/nfs/dbraw/zinc/65/14/31/560651431.db2.gz	ZADBTODSWBJHBD-PDGQHHTCSA-N	0	2	410.426	3.246	40	10		HGCBLN
O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccc2c(c1)OCO2	ZINC000409328438	560709784	/nfs/dbraw/zinc/70/97/84/560709784.db2.gz	VHDQWSVNSAHOPT-GIDUJCDVSA-N	0	2	402.409	3.435	40	10		HGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OC	ZINC000006479367	560742448	/nfs/dbraw/zinc/74/24/48/560742448.db2.gz	VWCSNXURBIFLOV-MDWZMJQESA-N	0	2	400.818	3.332	40	10		HGCBLN
Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000059858869	568709382	/nfs/dbraw/zinc/70/93/82/568709382.db2.gz	ZBXMUPDTQOXVRQ-UYRXBGFRSA-N	0	2	415.453	3.127	40	10		HGCBLN
NC(=O)NC1=CC(=O)C=CC1=NNc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000017778485	571305598	/nfs/dbraw/zinc/30/55/98/571305598.db2.gz	FMEWCSJBOPKQFH-GHVJWSGMSA-N	0	2	412.431	3.494	40	10		HGCBLN